A0A3Q0KNZ4_SCHMA Loading...

Putative sulfate transporter AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KNZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 828 aa.

						>A0A3Q0KNZ4_SCHMA|A0A3Q0KNZ4
METLRSQSDSNSNNEHNPLISITRPLFNKETFNQYAGYNSNLKSLTTWQQCLRLFVPFFQKFSQILKVNTNENVNTDHEKTNEEFSEQSRKQSIIDKCQYFMIRFLKWLITYLPFIQILMHYRVKSWLVNDTIAGFTVGIMHVPQGMAYALVATLPPVYGLYTSFFPSLIYFFLGTSRHISIGTMAVVSLLTGDFLDRVIHLKAQSIKSANEALYGNMTNNDTSIHDAEQFRIPYALALGFSVGIVQFLMGLFRLGSLIRYFSVPMTSGFTVGVAVHVFTTQVKNVLGLKLPRFPGLFTIPYTYYEIFRTVQHTNIPTVLMASGCITILAIYKDWISPFVRKISFIPLPIDLIIVIISTIVSYSVDLHGKYDVKIVGEIAKGIQYPEVPNISLMGPHIGDTIISAVIGISISVSLARIFATRFNYKINTNQELIAFGVTNAFSSFFHAYPAAASLSRSAVYVSAGGRTQVASLFSCLLLILVLFFIGPLLFSVPIFCLSAIIIVAIKGMFMEAKDLVMFWRFSPWDSAVWMFTFLCTVLLSVNYGLLLGIIMSVGVVILRIQWPKIHSIEQIQNTEIYRNSRDYTNYTEHDKIKIIRYEGNIFYFCAEYFRETVYLQTGINPFDLNLKLNRCLNRIKRIENILRLSSQSMDIEIDKSDDHSNEIKSMEETPDPLEASNENHQKSNLNENYFKRKFFNHFIKKKLLTLNEKLELEMERTKLIEKLDTINQLITFNFIIFDCSCWTFMDIVGADELKQVIDSYEKLGIIVLLAQMKDYLIHTLQNNNKIGDLTKIYPTIHDAVNDAINQLNTMKIKERNFLKPVETSLTP
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	37.9	Very low	164 Å²	164	144.6 Å²	144.6	81%	0.808	76%	0.763	S	S	*	*				0	-3	0	-104	-76	-142.6	0	0	113.6	T3 L4	M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 2.74Å; M1-L4 HydrophobicContact SD-CB 3.99Å; M1-L4 HydrophobicContact SD-CD1 3.97Å
2	E	41.6	Very low	38	Very low	189 Å²	189	141.8 Å²	141.8	88%	0.883	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-69.8	-21.1	173	-76.5	-178.4	154.5	0	0	113.8
3	T	40.5	Very low	38.4	Very low	118 Å²	118	142 Å²	142	72%	0.724	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-85.1	-11.4	179.3	41.9	0	0	0	0	115.5	M1	M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 2.74Å
4	L	36.3	Very low	39	Very low	129 Å²	129	143.1 Å²	143.1	68%	0.675	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-92.2	-5	177.3	-82.6	167.7	0	0	0	113.7	M1	M1-L4 HydrophobicContact SD-CB 3.99Å; M1-L4 HydrophobicContact SD-CD1 3.97Å
5	R	40.6	Very low	39.7	Very low	219 Å²	219	144.5 Å²	144.5	83%	0.826	77%	0.77	S	S	*	*	S	Bend	trans	-93	-13.5	176.3	-96.3	-176.5	174.2	174.3	-1.7	114.9
6	S	38.6	Very low	40.9	Very low	97 Å²	97	147.2 Å²	147.2	68%	0.678	78%	0.776	S	S	*	*	S	Bend	trans	-100.3	4.1	-174.3	60	0	0	0	0	115.5
7	Q	32.4	Very low	42.4	Very low	177 Å²	177	147.2 Å²	147.2	83%	0.827	78%	0.777	S	S	*	*	S	Bend	trans	-122.9	5.7	-180	-75	-165	-17.7	0	0	115.9
8	S	35.2	Very low	44.4	Very low	88 Å²	88	145.6 Å²	145.6	62%	0.615	78%	0.776	S	S	*	*			trans	-104.1	7.5	179.6	63.5	0	0	0	0	115.5	S10	S8-S10 VanDerWaalsContact C-N 3.26Å; S8-S10 PolarHBondContact O-N 3.1Å
9	D	36.6	Very low	46.2	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	78%	0.782	S	S	*	*	S	Bend	trans	-84.5	11.4	179.8	-80.5	-6.1	0	0	0	114.4
10	S	38.3	Very low	47.8	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	78%	0.78	S	S	*	*	S	Bend	trans	-149.8	64.7	175.4	69.3	0	0	0	0	113.6	S8	S8-S10 VanDerWaalsContact C-N 3.26Å; S8-S10 PolarHBondContact O-N 3.1Å
11	N	37.2	Very low	49.3	Very low	155 Å²	155	144.6 Å²	144.6	83%	0.829	78%	0.777	S	S	*	*			trans	-169.2	104.7	137.1	-103.9	-18.2	0	0	0	109.7	N13	N11-N13 PolarHBondContact O-N 3.29Å
12	S	38.7	Very low	51.2	Low	111 Å²	111	142 Å²	142	78%	0.776	77%	0.765	S	S	*	*			trans	-66.2	74.5	174.7	55.6	0	0	0	0	111.5
13	N	43.4	Very low	53.3	Low	144 Å²	144	139.7 Å²	139.7	77%	0.77	76%	0.764	S	S	*	*			trans	-115.9	75.2	154.1	-82.1	-10.7	0	0	0	106.5	N11 E15	N11-N13 PolarHBondContact O-N 3.29Å; N13-E15 PolarHBondContact O-N 3.24Å
14	N	46.8	Very low	55.5	Low	157 Å²	157	138 Å²	138	84%	0.84	74%	0.744	S	S	*	*			trans	-68.6	74.4	165.3	-86	-13.2	0	0	0	107.8	H16	N14-H16 PolarHBondContact O-N 3.11Å; N14-H16 VanDerWaalsContact O-N 3.11Å
15	E	49.6	Very low	57.9	Low	164 Å²	164	135.6 Å²	135.6	77%	0.766	74%	0.737	S	S	*	*			trans	-58.7	114.4	157.7	-76.9	-175.5	160.9	0	0	106.2	N13 N17	N13-E15 PolarHBondContact O-N 3.24Å; E15-N17 VanDerWaalsContact C-N 3.32Å; E15-N17 PolarHBondContact O-N 2.98Å
16	H	58.5	Low	60.2	Low	188 Å²	188	128.4 Å²	128.4	87%	0.87	72%	0.715	S	S	*	*			trans	-55.3	97.1	173.9	-81.5	-81.1	0	0	0	108.6	N14 P18	N14-H16 PolarHBondContact O-N 3.11Å; N14-H16 VanDerWaalsContact O-N 3.11Å; H16-P18 VanDerWaalsContact O-CD 3.28Å; H16-P18 WeakPolarHBondContact O-CD 3.3Å; H16-P18 VanDerWaalsContact O-N 3.13Å
17	N	67.4	Low	62.6	Low	147 Å²	147	124.4 Å²	124.4	79%	0.786	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-61	118.4	170.7	-84.6	-27.2	0	0	0	107.5	E15 L19	E15-N17 VanDerWaalsContact C-N 3.32Å; E15-N17 PolarHBondContact O-N 2.98Å; N17-L19 PolarHBondContact O-N 3.48Å; N17-L19 VanDerWaalsContact O-N 3.16Å
18	P	77.9	Confident	65.4	Low	119 Å²	119	118.3 Å²	118.3	77%	0.773	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-64	119.5	-178.7	25	-32.7	0	0	0	109.5	H16	H16-P18 VanDerWaalsContact O-CD 3.28Å; H16-P18 WeakPolarHBondContact O-CD 3.3Å; H16-P18 VanDerWaalsContact O-N 3.13Å
19	L	79.4	Confident	67.9	Low	168 Å²	168	115.5 Å²	115.5	88%	0.88	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-89.1	134	176.2	-155	95.7	0	0	0	109.8	N17	N17-L19 PolarHBondContact O-N 3.48Å; N17-L19 VanDerWaalsContact O-N 3.16Å
20	I	77.3	Confident	70.3	Confident	144 Å²	144	114.4 Å²	114.4	74%	0.738	63%	0.625	S	S	*	*			trans	-109.4	121.7	176.1	-61.4	173.2	0	0	0	108.2	I22	I20-I22 HydrophobicContact CG2-CD1 3.95Å; I20-I22 HydrophobicContact CG2-CG1 3.87Å
21	S	80.4	Confident	72.8	Confident	103 Å²	103	112.5 Å²	112.5	72%	0.72	61%	0.609	S	S	*	*			trans	-121.3	118.7	170.3	-177.8	0	0	0	0	108.8
22	I	79.3	Confident	75.2	Confident	109 Å²	109	108.5 Å²	108.5	56%	0.559	58%	0.584	S	S	*	*			trans	-115.9	122.9	179.3	-63	170.5	0	0	0	107.2	I20	I20-I22 HydrophobicContact CG2-CD1 3.95Å; I20-I22 HydrophobicContact CG2-CG1 3.87Å
23	T	84	Confident	77.6	Confident	142 Å²	142	104.9 Å²	104.9	87%	0.871	56%	0.556	S	S	*	*			trans	-112.5	112.5	172.9	-50.4	0	0	0	0	108.3
24	R	86.9	Confident	79.7	Confident	81 Å²	81	105.4 Å²	105.4	31%	0.306	55%	0.554	S	S	.	*			trans	-137.1	153.8	178.2	68	175.7	177.3	114.6	2	110.6	F27 T796 D799	R24-F27 HydrophobicContact CB-CE2 4.49Å; R24-T796 PolarHBondContact NH2-OG1 3.09Å; R24-D799 IonicContact CZ-OD1 3Å; R24-D799 IonicContact CZ-OD2 3.67Å; R24-D799 IonicContact NH1-OD1 3.13Å; R24-D799 PolarHBondContact NH1-OD1 3.4Å; R24-D799 IonicContact NH1-OD2 2.7Å; R24-D799 PolarHBondContact NH1-OD2 3.45Å; R24-D799 IonicContact NH2-OD1 2.86Å; R24-D799 PolarHBondContact NH2-OD1 3.39Å; R24-D799 IonicContact NH2-OD2 2.72Å; R24-D799 PolarHBondContact NH2-OD2 3.16Å
25	P	87.5	Confident	81.6	Confident	80 Å²	80	106.1 Å²	106.1	52%	0.519	55%	0.546	S	S	.	.			trans	-67.2	156.7	174.2	29.8	-34.8	0	0	0	110.8	F27	P25-F27 HydrophobicContact CG-CE1 3.85Å; P25-F27 HydrophobicContact CG-CE2 3.86Å; P25-F27 HydrophobicContact CG-CZ 3.47Å; P25-F27 VanDerWaalsContact CG-CZ 3.47Å; P25-F27 WeakPolarHBondContact O-CD2 3.44Å; P25-F27 WeakPolarHBondContact O-CE2 3.31Å; P25-F27 PolarHBondContact O-N 3.24Å
26	L	88.4	Confident	83.4	Confident	68 Å²	68	101.2 Å²	101.2	36%	0.356	53%	0.534	S	S	.	.			trans	-67.7	122.6	171.5	176.5	68	0	0	0	109.3	D799 N802 D803	L26-D799 HydrophobicContact CD1-CB 3.9Å; L26-D799 WeakPolarHBondContact CD1-O 3.48Å; L26-N802 HydrophobicContact CD1-CB 3.98Å; L26-D803 HydrophobicContact CD1-CB 4.48Å; L26-D803 HydrophobicContact CD2-CB 3.96Å
27	F	90.4	Very high	84.6	Confident	13 Å²	13	95.2 Å²	95.2	6%	0.057	52%	0.523	C	S	.	.			trans	-110.2	132.8	-179.2	-67.7	-71.9	0	0	0	112.6	R24 P25 T31 F32 Y35 Y794 P795 D799	R24-F27 HydrophobicContact CB-CE2 4.49Å; P25-F27 HydrophobicContact CG-CE1 3.85Å; P25-F27 HydrophobicContact CG-CE2 3.86Å; P25-F27 HydrophobicContact CG-CZ 3.47Å; P25-F27 VanDerWaalsContact CG-CZ 3.47Å; P25-F27 WeakPolarHBondContact O-CD2 3.44Å; P25-F27 WeakPolarHBondContact O-CE2 3.31Å; P25-F27 PolarHBondContact O-N 3.24Å; F27-T31 WeakPolarHBondContact CA-OG1 3.35Å; F27-F32 HydrophobicContact CB-CB 4.01Å; F27-F32 HydrophobicContact CD1-CB 4.34Å; F27-F32 HydrophobicContact CD2-CD2 4.34Å; F27-F32 HydrophobicContact CG-CB 4.25Å; F27-F32 HydrophobicContact CG-CD2 4.36Å; F27-Y35 HydrophobicContact CE1-CD1 4.09Å; F27-Y35 HydrophobicContact CE1-CD2 4.05Å; F27-Y35 AromaticContact CE1-CG 3.66Å; F27-Y35 HydrophobicContact CE1-CG 3.66Å; F27-Y35 HydrophobicContact CE2-CD1 4.47Å; F27-Y35 AromaticContact CZ-CD1 3.64Å; F27-Y35 HydrophobicContact CZ-CD1 3.64Å; F27-Y35 AromaticContact CZ-CD2 3.93Å; F27-Y35 HydrophobicContact CZ-CD2 3.93Å; F27-Y35 HydrophobicContact CZ-CE1 4.01Å; F27-Y35 HydrophobicContact CZ-CE2 4.27Å; F27-Y35 AromaticContact CZ-CG 3.6Å; F27-Y35 HydrophobicContact CZ-CG 3.6Å; F27-Y794 WeakPolarHBondContact O-CD1 3.42Å; F27-P795 HydrophobicContact CB-CG 3.89Å; F27-P795 WeakPolarHBondContact O-CD 3.11Å; F27-D799 WeakPolarHBondContact O-CB 3.44Å
28	N	90.6	Very high	85.2	Confident	49 Å²	49	92.4 Å²	92.4	26%	0.262	50%	0.502	S	S	.	.			trans	-85.1	161.7	152.3	-65.5	-2.2	0	0	0	109.2	E30 T31 F32 Y794	N28-E30 PolarHBondContact O-N 3.33Å; N28-T31 PolarHBondContact N-OG1 2.92Å; N28-T31 PolarHBondContact O-N 3.09Å; N28-T31 VanDerWaalsContact O-N 3.12Å; N28-T31 PolarHBondContact O-OG1 3.42Å; N28-F32 WeakPolarHBondContact O-CB 3.4Å; N28-F32 PolarHBondContact O-N 3.46Å; N28-Y794 WeakPolarHBondContact OD1-CE1 3.46Å
29	K	87.6	Confident	85.1	Confident	29 Å²	29	91.6 Å²	91.6	13%	0.126	49%	0.491	C	S	.	.	H	α-helix	trans	-55.8	-39.2	-176.7	-176.4	66.1	178.9	-176.9	0	113	F32 N33 D775 I778 I793	K29-F32 PolarHBondContact O-N 3.17Å; K29-N33 WeakPolarHBondContact O-CB 3.41Å; K29-N33 PolarHBondContact O-N 3.04Å; K29-N33 PolarHBondContact O-OD1 3.46Å; K29-D775 WeakPolarHBondContact CE-OD1 3.34Å; K29-D775 IonicContact NZ-OD1 3.92Å; K29-D775 PolarHBondContact NZ-OD1 2.87Å; K29-I778 HydrophobicContact CD-CD1 4.21Å; K29-I778 HydrophobicContact CG-CD1 3.91Å; K29-I793 HydrophobicContact CB-CB 4.14Å; K29-I793 HydrophobicContact CB-CG2 4.08Å; K29-I793 VanDerWaalsContact CB-O 3.25Å; K29-I793 WeakPolarHBondContact CB-O 3.48Å; K29-I793 HydrophobicContact CG-CG2 4.39Å; K29-I793 PolarHBondContact N-O 3.4Å
30	E	86.5	Confident	84.5	Confident	133 Å²	133	87.1 Å²	87.1	62%	0.621	47%	0.474	S	S	*	.	H	α-helix	trans	-65.4	-48.4	177	-65.8	175.7	176.6	0	0	112.2	N28 F32 N33 Q34	N28-E30 PolarHBondContact O-N 3.33Å; E30-F32 VanDerWaalsContact C-N 3.29Å; E30-F32 PolarHBondContact O-N 2.93Å; E30-N33 PolarHBondContact O-N 3.24Å; E30-Q34 WeakPolarHBondContact O-CG 3.48Å; E30-Q34 PolarHBondContact O-N 3.48Å
31	T	90	Very high	83.6	Confident	59 Å²	59	87 Å²	87	36%	0.362	48%	0.475	S	S	.	.	H	α-helix	trans	-63.9	-35.4	177.1	58	0	0	0	0	112.2	F27 N28 Q34 Y35	F27-T31 WeakPolarHBondContact CA-OG1 3.35Å; N28-T31 PolarHBondContact N-OG1 2.92Å; N28-T31 PolarHBondContact O-N 3.09Å; N28-T31 VanDerWaalsContact O-N 3.12Å; N28-T31 PolarHBondContact O-OG1 3.42Å; T31-Q34 PolarHBondContact O-N 3.45Å; T31-Y35 WeakPolarHBondContact O-CB 3.35Å; T31-Y35 PolarHBondContact O-N 2.9Å
32	F	89.6	Confident	82.3	Confident	70 Å²	70	89.1 Å²	89.1	31%	0.307	48%	0.477	S	S	.	.	H	α-helix	trans	-66.4	-44.9	173.9	178.5	-100.3	0	0	0	111.3	F27 N28 K29 E30 Q34 Y35 A36 P795	F27-F32 HydrophobicContact CB-CB 4.01Å; F27-F32 HydrophobicContact CD1-CB 4.34Å; F27-F32 HydrophobicContact CD2-CD2 4.34Å; F27-F32 HydrophobicContact CG-CB 4.25Å; F27-F32 HydrophobicContact CG-CD2 4.36Å; N28-F32 WeakPolarHBondContact O-CB 3.4Å; N28-F32 PolarHBondContact O-N 3.46Å; K29-F32 PolarHBondContact O-N 3.17Å; E30-F32 VanDerWaalsContact C-N 3.29Å; E30-F32 PolarHBondContact O-N 2.93Å; F32-Q34 VanDerWaalsContact C-N 3.27Å; F32-Q34 PolarHBondContact O-N 3.01Å; F32-Y35 PolarHBondContact O-N 3.31Å; F32-A36 HydrophobicContact CE1-CB 4.25Å; F32-A36 HydrophobicContact CZ-CB 4.24Å; F32-A36 VanDerWaalsContact O-CB 3.28Å; F32-A36 WeakPolarHBondContact O-CB 3.36Å; F32-A36 PolarHBondContact O-N 2.92Å; F32-P795 HydrophobicContact CB-CB 4.16Å; F32-P795 HydrophobicContact CB-CG 3.97Å; F32-P795 HydrophobicContact CD1-CB 4.06Å; F32-P795 HydrophobicContact CD2-CB 4.28Å; F32-P795 HydrophobicContact CD2-CG 4.32Å; F32-P795 HydrophobicContact CG-CB 3.88Å; F32-P795 HydrophobicContact CG-CG 4.09Å
33	N	87.6	Confident	81	Confident	35 Å²	35	92.9 Å²	92.9	19%	0.187	49%	0.489	C	S	.	.	H	α-helix	trans	-61	-38.4	177.6	-77.6	-2	0	0	0	111.4	K29 E30 G37 Y38	K29-N33 WeakPolarHBondContact O-CB 3.41Å; K29-N33 PolarHBondContact O-N 3.04Å; K29-N33 PolarHBondContact O-OD1 3.46Å; E30-N33 PolarHBondContact O-N 3.24Å; N33-G37 PolarHBondContact O-N 3.29Å; N33-Y38 HydrophobicContact CB-CG 4.14Å; N33-Y38 WeakPolarHBondContact O-CB 3.46Å; N33-Y38 PolarHBondContact O-N 3.22Å
34	Q	87.6	Confident	79.5	Confident	155 Å²	155	90 Å²	90	72%	0.724	48%	0.475	S	S	*	.	H	α-helix	trans	-66.1	-47.5	172.9	-69.6	172.7	-0.9	0	0	111.8	E30 T31 F32 A36 G37	E30-Q34 WeakPolarHBondContact O-CG 3.48Å; E30-Q34 PolarHBondContact O-N 3.48Å; T31-Q34 PolarHBondContact O-N 3.45Å; F32-Q34 VanDerWaalsContact C-N 3.27Å; F32-Q34 PolarHBondContact O-N 3.01Å; Q34-A36 VanDerWaalsContact C-N 3.35Å; Q34-A36 PolarHBondContact O-N 3.09Å; Q34-G37 PolarHBondContact O-N 3.12Å
35	Y	88	Confident	77.7	Confident	172 Å²	172	89.1 Å²	89.1	68%	0.675	48%	0.476	S	S	*	.	H	α-helix	trans	-61.2	-40.6	178.8	179	-97.4	0	0	0	112.9	F27 T31 F32	F27-Y35 HydrophobicContact CE1-CD1 4.09Å; F27-Y35 HydrophobicContact CE1-CD2 4.05Å; F27-Y35 AromaticContact CE1-CG 3.66Å; F27-Y35 HydrophobicContact CE1-CG 3.66Å; F27-Y35 HydrophobicContact CE2-CD1 4.47Å; F27-Y35 AromaticContact CZ-CD1 3.64Å; F27-Y35 HydrophobicContact CZ-CD1 3.64Å; F27-Y35 AromaticContact CZ-CD2 3.93Å; F27-Y35 HydrophobicContact CZ-CD2 3.93Å; F27-Y35 HydrophobicContact CZ-CE1 4.01Å; F27-Y35 HydrophobicContact CZ-CE2 4.27Å; F27-Y35 AromaticContact CZ-CG 3.6Å; F27-Y35 HydrophobicContact CZ-CG 3.6Å; T31-Y35 WeakPolarHBondContact O-CB 3.35Å; T31-Y35 PolarHBondContact O-N 2.9Å; F32-Y35 PolarHBondContact O-N 3.31Å
36	A	86.4	Confident	76	Confident	61 Å²	61	89.3 Å²	89.3	50%	0.504	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-5.4	-178.2	0	0	0	0	0	114	F32 Q34	F32-A36 HydrophobicContact CE1-CB 4.25Å; F32-A36 HydrophobicContact CZ-CB 4.24Å; F32-A36 VanDerWaalsContact O-CB 3.28Å; F32-A36 WeakPolarHBondContact O-CB 3.36Å; F32-A36 PolarHBondContact O-N 2.92Å; Q34-A36 VanDerWaalsContact C-N 3.35Å; Q34-A36 PolarHBondContact O-N 3.09Å
37	G	83.5	Confident	74.4	Confident	63 Å²	63	91.4 Å²	91.4	65%	0.649	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	49.5	-177.1	0	0	0	0	0	113.5	N33 Q34 N39	N33-G37 PolarHBondContact O-N 3.29Å; Q34-G37 PolarHBondContact O-N 3.12Å; G37-N39 PolarHBondContact O-N 3.11Å
38	Y	80.5	Confident	72.5	Confident	88 Å²	88	99.9 Å²	99.9	35%	0.345	52%	0.524	S	S	.	.			trans	-64.4	125.8	-176.5	-172.9	-104.9	0	0	0	113.1	N33 D775	N33-Y38 HydrophobicContact CB-CG 4.14Å; N33-Y38 WeakPolarHBondContact O-CB 3.46Å; N33-Y38 PolarHBondContact O-N 3.22Å; Y38-D775 WeakPolarHBondContact CE2-OD2 3.46Å; Y38-D775 WeakPolarHBondContact OH-CB 3.42Å; Y38-D775 VanDerWaalsContact OH-CG 3.28Å; Y38-D775 PolarHBondContact OH-OD2 2.79Å
39	N	75.8	Confident	70.7	Confident	101 Å²	101	101.9 Å²	101.9	54%	0.54	53%	0.531	S	S	.	.			trans	-94.6	97.8	177.4	-173.2	-1.4	0	0	0	111.4	G37 N41 L42	G37-N39 PolarHBondContact O-N 3.11Å; N39-N41 PolarHBondContact O-N 3.18Å; N39-N41 WeakPolarHBondContact OD1-CB 3.34Å; N39-N41 PolarHBondContact OD1-N 3.24Å; N39-N41 VanDerWaalsContact OD1-N 3.17Å; N39-L42 PolarHBondContact O-N 3.31Å
40	S	66.4	Low	69	Low	74 Å²	74	105.5 Å²	105.5	52%	0.517	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.2	179.1	59.4	0	0	0	0	114.4	L42	S40-L42 PolarHBondContact O-N 3.2Å
41	N	59	Low	67.3	Low	142 Å²	142	102 Å²	102	76%	0.759	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.3	-177.7	-75.9	-27.2	0	0	0	113.4	N39 K43	N39-N41 PolarHBondContact O-N 3.18Å; N39-N41 WeakPolarHBondContact OD1-CB 3.34Å; N39-N41 PolarHBondContact OD1-N 3.24Å; N39-N41 VanDerWaalsContact OD1-N 3.17Å; N41-K43 PolarHBondContact O-N 3.37Å
42	L	52.1	Low	65.4	Low	147 Å²	147	102 Å²	102	77%	0.77	54%	0.536	S	S	*	.			trans	-78.3	62.2	173.7	-147.8	81.8	0	0	0	110	N39 S40 S44	N39-L42 PolarHBondContact O-N 3.31Å; S40-L42 PolarHBondContact O-N 3.2Å; L42-S44 PolarHBondContact O-N 2.92Å
43	K	52.9	Low	63.6	Low	188 Å²	188	107.1 Å²	107.1	82%	0.817	55%	0.553	S	S	*	*			trans	-53.8	116.7	171.5	-77.3	-177.4	178.5	178.5	0	107.6	N41 L45	N41-K43 PolarHBondContact O-N 3.37Å; K43-L45 PolarHBondContact O-N 3.1Å; K43-L45 VanDerWaalsContact O-N 3.13Å
44	S	51.4	Low	61.9	Low	82 Å²	82	111.1 Å²	111.1	57%	0.573	57%	0.574	S	S	*	*			trans	-51	125.1	171.4	62.7	0	0	0	0	107.8	L42 T46	L42-S44 PolarHBondContact O-N 2.92Å; S44-T46 PolarHBondContact O-N 3.44Å
45	L	49.3	Very low	60	Low	63 Å²	63	109.8 Å²	109.8	33%	0.33	57%	0.566	S	S	.	*			trans	-44.9	120.2	178.5	-77.3	137.6	0	0	0	108.7	K43 Q49 Q50	K43-L45 PolarHBondContact O-N 3.1Å; K43-L45 VanDerWaalsContact O-N 3.13Å; L45-Q49 HydrophobicContact CB-CB 4.13Å; L45-Q49 HydrophobicContact CD2-CB 3.7Å; L45-Q49 HydrophobicContact CD2-CG 4.47Å; L45-Q50 HydrophobicContact CB-CG 3.95Å; L45-Q50 PolarHBondContact O-NE2 2.89Å
46	T	53.5	Low	58.2	Low	83 Å²	83	103.8 Å²	103.8	51%	0.509	55%	0.547	S	S	.	.			trans	-53.7	150.1	177.3	22	0	0	0	0	109.1	S44 W48 Q49 Q50	S44-T46 PolarHBondContact O-N 3.44Å; T46-W48 PolarHBondContact O-N 3.27Å; T46-Q49 CarbonylContact O-C 3.4Å; T46-Q49 WeakPolarHBondContact O-CA 3.37Å; T46-Q49 WeakPolarHBondContact O-CB 3.2Å; T46-Q49 PolarHBondContact O-N 3.02Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.31Å; T46-Q49 PolarHBondContact OG1-OE1 2.84Å; T46-Q50 PolarHBondContact O-N 3.11Å
47	T	54.8	Low	56.5	Low	112 Å²	112	103.7 Å²	103.7	69%	0.687	54%	0.541	S	S	*	.	H	α-helix	trans	-49	-35	175.4	21.2	0	0	0	0	111.8	Q50 C51	T47-Q50 PolarHBondContact O-N 3.46Å; T47-C51 WeakPolarHBondContact O-CB 3.2Å; T47-C51 PolarHBondContact O-N 3.34Å; T47-C51 PolarHBondContact O-SG 2.83Å
48	W	48.7	Very low	54.8	Low	192 Å²	192	104.6 Å²	104.6	73%	0.727	53%	0.527	S	S	*	.	H	α-helix	trans	-65.4	-39.4	173.2	-140.7	84.4	0	0	0	113.5	T46 C51 L52	T46-W48 PolarHBondContact O-N 3.27Å; W48-C51 PolarHBondContact O-N 3.33Å; W48-L52 HydrophobicContact CE3-CD1 3.36Å; W48-L52 HydrophobicContact CE3-CG 3.86Å; W48-L52 HydrophobicContact CZ3-CD1 3.4Å; W48-L52 VanDerWaalsContact CZ3-CD1 3.4Å; W48-L52 HydrophobicContact CZ3-CD2 4.23Å; W48-L52 HydrophobicContact CZ3-CG 3.82Å; W48-L52 VanDerWaalsContact O-CB 3.3Å; W48-L52 WeakPolarHBondContact O-CB 3.47Å; W48-L52 WeakPolarHBondContact O-CG 3.43Å; W48-L52 PolarHBondContact O-N 3.42Å
49	Q	53.2	Low	53.3	Low	91 Å²	91	107.2 Å²	107.2	43%	0.425	54%	0.541	S	S	.	.	H	α-helix	trans	-69.9	-32.5	172.7	-71	176.4	-25.7	0	0	112.8	L45 T46 L52 R53	L45-Q49 HydrophobicContact CB-CB 4.13Å; L45-Q49 HydrophobicContact CD2-CB 3.7Å; L45-Q49 HydrophobicContact CD2-CG 4.47Å; T46-Q49 CarbonylContact O-C 3.4Å; T46-Q49 WeakPolarHBondContact O-CA 3.37Å; T46-Q49 WeakPolarHBondContact O-CB 3.2Å; T46-Q49 PolarHBondContact O-N 3.02Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.31Å; T46-Q49 PolarHBondContact OG1-OE1 2.84Å; Q49-L52 CarbonylContact O-C 3.51Å; Q49-L52 WeakPolarHBondContact O-CB 3.15Å; Q49-R53 PolarHBondContact O-N 2.8Å
50	Q	53.1	Low	52.1	Low	105 Å²	105	108 Å²	108	49%	0.491	54%	0.541	S	S	.	.	H	α-helix	trans	-70.7	-41.4	172.8	-63.2	-178.8	35.6	0	0	111.6	L45 T46 T47 R53 L54	L45-Q50 HydrophobicContact CB-CG 3.95Å; L45-Q50 PolarHBondContact O-NE2 2.89Å; T46-Q50 PolarHBondContact O-N 3.11Å; T47-Q50 PolarHBondContact O-N 3.46Å; Q50-R53 WeakPolarHBondContact O-CB 3.38Å; Q50-R53 PolarHBondContact O-N 3.08Å; Q50-R53 VanDerWaalsContact O-N 3.11Å; Q50-L54 PolarHBondContact O-N 3.35Å
51	C	49.3	Very low	51.3	Low	60 Å²	60	109.3 Å²	109.3	41%	0.405	54%	0.537	S	S	.	.	H	α-helix	trans	-63.7	-42.5	171.3	-70.2	0	0	0	0	110.8	T47 W48 R53 L54 F55	T47-C51 WeakPolarHBondContact O-CB 3.2Å; T47-C51 PolarHBondContact O-N 3.34Å; T47-C51 PolarHBondContact O-SG 2.83Å; W48-C51 PolarHBondContact O-N 3.33Å; C51-R53 VanDerWaalsContact C-N 3.32Å; C51-R53 PolarHBondContact O-N 3.46Å; C51-L54 CarbonylContact O-C 3.58Å; C51-L54 WeakPolarHBondContact O-CA 3.38Å; C51-L54 VanDerWaalsContact O-CB 3.28Å; C51-L54 WeakPolarHBondContact O-CB 3.3Å; C51-L54 PolarHBondContact O-N 2.86Å; C51-F55 WeakPolarHBondContact O-CD2 3.17Å; C51-F55 PolarHBondContact O-N 2.91Å
52	L	51	Low	50.5	Low	58 Å²	58	108.1 Å²	108.1	30%	0.304	53%	0.526	S	S	.	.	H	α-helix	trans	-57	-43.3	168.7	-90.2	165.3	0	0	0	110.1	W48 Q49 L54 F55 V56	W48-L52 HydrophobicContact CE3-CD1 3.36Å; W48-L52 HydrophobicContact CE3-CG 3.86Å; W48-L52 HydrophobicContact CZ3-CD1 3.4Å; W48-L52 VanDerWaalsContact CZ3-CD1 3.4Å; W48-L52 HydrophobicContact CZ3-CD2 4.23Å; W48-L52 HydrophobicContact CZ3-CG 3.82Å; W48-L52 VanDerWaalsContact O-CB 3.3Å; W48-L52 WeakPolarHBondContact O-CB 3.47Å; W48-L52 WeakPolarHBondContact O-CG 3.43Å; W48-L52 PolarHBondContact O-N 3.42Å; Q49-L52 CarbonylContact O-C 3.51Å; Q49-L52 WeakPolarHBondContact O-CB 3.15Å; L52-L54 PolarHBondContact O-N 3.21Å; L52-L54 VanDerWaalsContact O-N 3.08Å; L52-F55 CarbonylContact O-C 3.57Å; L52-F55 PolarHBondContact O-N 2.88Å; L52-V56 HydrophobicContact CB-CG2 3.72Å; L52-V56 HydrophobicContact CD2-CG2 3.49Å; L52-V56 VanDerWaalsContact CD2-CG2 3.49Å; L52-V56 HydrophobicContact CG-CG2 4.2Å; L52-V56 WeakPolarHBondContact O-CA 3.11Å; L52-V56 WeakPolarHBondContact O-CB 3.35Å; L52-V56 WeakPolarHBondContact O-CG2 3.16Å; L52-V56 PolarHBondContact O-N 3.39Å
53	R	50.6	Low	50.1	Low	178 Å²	178	103.8 Å²	103.8	67%	0.672	51%	0.508	S	S	*	.	H	α-helix	trans	-59.5	-25.3	173.8	-82.3	-173.7	175.6	-174.2	0.2	114.2	Q49 Q50 C51 P57	Q49-R53 PolarHBondContact O-N 2.8Å; Q50-R53 WeakPolarHBondContact O-CB 3.38Å; Q50-R53 PolarHBondContact O-N 3.08Å; Q50-R53 VanDerWaalsContact O-N 3.11Å; C51-R53 VanDerWaalsContact C-N 3.32Å; C51-R53 PolarHBondContact O-N 3.46Å; R53-P57 WeakPolarHBondContact O-CD 3.39Å; R53-P57 WeakPolarHBondContact O-CG 3.34Å
54	L	51.9	Low	49.8	Very low	119 Å²	119	100 Å²	100	62%	0.623	49%	0.493	S	S	*	.	H	α-helix	trans	-75.6	-38.9	171.1	-69.8	163.6	0	0	0	112.3	Q50 C51 L52	Q50-L54 PolarHBondContact O-N 3.35Å; C51-L54 CarbonylContact O-C 3.58Å; C51-L54 WeakPolarHBondContact O-CA 3.38Å; C51-L54 VanDerWaalsContact O-CB 3.28Å; C51-L54 WeakPolarHBondContact O-CB 3.3Å; C51-L54 PolarHBondContact O-N 2.86Å; L52-L54 PolarHBondContact O-N 3.21Å; L52-L54 VanDerWaalsContact O-N 3.08Å
55	F	47.8	Very low	49.5	Very low	127 Å²	127	101.8 Å²	101.8	56%	0.557	50%	0.495	S	S	*	.	H	α-helix	trans	-98.8	-21	-175.1	-74.5	-76.4	0	0	0	115.8	C51 L52 F58 F59	C51-F55 WeakPolarHBondContact O-CD2 3.17Å; C51-F55 PolarHBondContact O-N 2.91Å; L52-F55 CarbonylContact O-C 3.57Å; L52-F55 PolarHBondContact O-N 2.88Å; F55-F58 CarbonylContact O-C 3.58Å; F55-F58 VanDerWaalsContact O-CA 3.27Å; F55-F58 WeakPolarHBondContact O-CA 3.34Å; F55-F58 WeakPolarHBondContact O-CB 3.24Å; F55-F58 PolarHBondContact O-N 3.24Å; F55-F59 PolarHBondContact O-N 2.95Å
56	V	50.8	Low	49	Very low	46 Å²	46	104.8 Å²	104.8	28%	0.279	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-39.8	177.2	165.8	0	0	0	0	110.5	L52 F58 F59 Q60	L52-V56 HydrophobicContact CB-CG2 3.72Å; L52-V56 HydrophobicContact CD2-CG2 3.49Å; L52-V56 VanDerWaalsContact CD2-CG2 3.49Å; L52-V56 HydrophobicContact CG-CG2 4.2Å; L52-V56 WeakPolarHBondContact O-CA 3.11Å; L52-V56 WeakPolarHBondContact O-CB 3.35Å; L52-V56 WeakPolarHBondContact O-CG2 3.16Å; L52-V56 PolarHBondContact O-N 3.39Å; V56-F58 PolarHBondContact O-N 2.95Å; V56-F58 VanDerWaalsContact O-N 3.16Å; V56-F59 PolarHBondContact O-N 3Å; V56-Q60 HydrophobicContact CG1-CG 4Å; V56-Q60 VanDerWaalsContact O-CB 3.25Å; V56-Q60 WeakPolarHBondContact O-CB 3.48Å; V56-Q60 PolarHBondContact O-N 2.62Å
57	P	50.4	Low	48.2	Very low	58 Å²	58	108.7 Å²	108.7	38%	0.377	52%	0.52	S	S	.	.	H	α-helix	trans	-60	-24.4	169.3	-20.9	31.4	0	0	0	112.4	R53 K61	R53-P57 WeakPolarHBondContact O-CD 3.39Å; R53-P57 WeakPolarHBondContact O-CG 3.34Å; P57-K61 WeakPolarHBondContact O-CB 3.31Å; P57-K61 PolarHBondContact O-N 3.44Å
58	F	48.9	Very low	47.4	Very low	82 Å²	82	108.8 Å²	108.8	36%	0.36	52%	0.521	S	S	.	.	H	α-helix	trans	-77.6	-53.3	173.8	-174.9	-93.4	0	0	0	110.7	F55 V56 K61 F62	F55-F58 CarbonylContact O-C 3.58Å; F55-F58 VanDerWaalsContact O-CA 3.27Å; F55-F58 WeakPolarHBondContact O-CA 3.34Å; F55-F58 WeakPolarHBondContact O-CB 3.24Å; F55-F58 PolarHBondContact O-N 3.24Å; V56-F58 PolarHBondContact O-N 2.95Å; V56-F58 VanDerWaalsContact O-N 3.16Å; F58-K61 PolarHBondContact O-N 2.92Å; F58-F62 VanDerWaalsContact O-CB 3.24Å; F58-F62 WeakPolarHBondContact O-CB 3.44Å; F58-F62 PolarHBondContact O-N 3.27Å
59	F	48.4	Very low	46.5	Very low	144 Å²	144	106.6 Å²	106.6	63%	0.632	52%	0.523	S	S	*	.	H	α-helix	trans	-65.4	-40	179	-84.2	-77.3	0	0	0	113.6	F55 V56 S63	F55-F59 PolarHBondContact O-N 2.95Å; V56-F59 PolarHBondContact O-N 3Å; F59-S63 WeakPolarHBondContact O-CA 3.29Å; F59-S63 WeakPolarHBondContact O-CB 3.31Å; F59-S63 PolarHBondContact O-N 3.08Å
60	Q	50.2	Low	45.4	Very low	118 Å²	118	108.3 Å²	108.3	55%	0.551	54%	0.54	S	S	*	.	H	α-helix	trans	-65.4	-42.1	174	-83.9	-178.9	-34.9	0	0	111.4	V56 Q64	V56-Q60 HydrophobicContact CG1-CG 4Å; V56-Q60 VanDerWaalsContact O-CB 3.25Å; V56-Q60 WeakPolarHBondContact O-CB 3.48Å; V56-Q60 PolarHBondContact O-N 2.62Å; Q60-Q64 WeakPolarHBondContact O-CB 3.39Å; Q60-Q64 VanDerWaalsContact O-CG 3.24Å; Q60-Q64 WeakPolarHBondContact O-CG 3.46Å; Q60-Q64 PolarHBondContact O-N 2.9Å
61	K	49.2	Very low	44.3	Very low	101 Å²	101	111.4 Å²	111.4	44%	0.439	56%	0.56	S	S	.	*	H	α-helix	trans	-72	-35.9	-179.2	-161	176.5	-170.3	-171.3	0	111.3	P57 F58 I65	P57-K61 WeakPolarHBondContact O-CB 3.31Å; P57-K61 PolarHBondContact O-N 3.44Å; F58-K61 PolarHBondContact O-N 2.92Å; K61-I65 WeakPolarHBondContact O-CD1 3.4Å; K61-I65 WeakPolarHBondContact O-CG1 3.38Å; K61-I65 PolarHBondContact O-N 3.33Å; K61-I65 VanDerWaalsContact O-N 3.1Å
62	F	42.2	Very low	43.4	Very low	116 Å²	116	116.8 Å²	116.8	51%	0.509	58%	0.579	S	S	.	*	H	α-helix	trans	-72.7	-44	175.5	-152.4	-94.5	0	0	0	111.9	F58 Q64 I65 L66	F58-F62 VanDerWaalsContact O-CB 3.24Å; F58-F62 WeakPolarHBondContact O-CB 3.44Å; F58-F62 PolarHBondContact O-N 3.27Å; F62-Q64 VanDerWaalsContact C-N 3.35Å; F62-Q64 PolarHBondContact O-N 2.91Å; F62-I65 PolarHBondContact O-N 3.49Å; F62-L66 HydrophobicContact CD1-CD1 3.6Å; F62-L66 HydrophobicContact CE1-CD1 3.44Å; F62-L66 VanDerWaalsContact CE1-CD1 3.44Å; F62-L66 HydrophobicContact CZ-CD1 4.39Å; F62-L66 PolarHBondContact O-N 3.27Å
63	S	45.1	Very low	42.2	Very low	56 Å²	56	120.7 Å²	120.7	39%	0.392	60%	0.6	S	S	.	*	H	α-helix	trans	-64.7	-36.3	174.7	-177.7	0	0	0	0	112.2	F59 L66 K67	F59-S63 WeakPolarHBondContact O-CA 3.29Å; F59-S63 WeakPolarHBondContact O-CB 3.31Å; F59-S63 PolarHBondContact O-N 3.08Å; S63-L66 PolarHBondContact O-N 3.44Å; S63-K67 WeakPolarHBondContact O-CB 3.42Å; S63-K67 PolarHBondContact O-N 3.28Å
64	Q	46.9	Very low	41.2	Very low	108 Å²	108	118.3 Å²	118.3	51%	0.505	61%	0.605	S	S	.	*	H	α-helix	trans	-68.8	-33.9	173.6	-81.9	179.2	-16.6	0	0	112.8	Q60 F62 L66	Q60-Q64 WeakPolarHBondContact O-CB 3.39Å; Q60-Q64 VanDerWaalsContact O-CG 3.24Å; Q60-Q64 WeakPolarHBondContact O-CG 3.46Å; Q60-Q64 PolarHBondContact O-N 2.9Å; F62-Q64 VanDerWaalsContact C-N 3.35Å; F62-Q64 PolarHBondContact O-N 2.91Å; Q64-L66 VanDerWaalsContact C-N 3.32Å
65	I	44.8	Very low	40.2	Very low	120 Å²	120	119.7 Å²	119.7	62%	0.615	61%	0.613	S	S	*	*	H	α-helix	trans	-68.3	-34.5	173.9	-71.6	164.6	0	0	0	110.7	K61 F62	K61-I65 WeakPolarHBondContact O-CD1 3.4Å; K61-I65 WeakPolarHBondContact O-CG1 3.38Å; K61-I65 PolarHBondContact O-N 3.33Å; K61-I65 VanDerWaalsContact O-N 3.1Å; F62-I65 PolarHBondContact O-N 3.49Å
66	L	38.6	Very low	39.2	Very low	126 Å²	126	119.3 Å²	119.3	66%	0.66	62%	0.622	S	S	*	*	H	α-helix	trans	-81.6	-26	178.2	-96.4	134.8	0	0	0	114.8	F62 S63 Q64 V68	F62-L66 HydrophobicContact CD1-CD1 3.6Å; F62-L66 HydrophobicContact CE1-CD1 3.44Å; F62-L66 VanDerWaalsContact CE1-CD1 3.44Å; F62-L66 HydrophobicContact CZ-CD1 4.39Å; F62-L66 PolarHBondContact O-N 3.27Å; S63-L66 PolarHBondContact O-N 3.44Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; L66-V68 VanDerWaalsContact C-N 3.34Å; L66-V68 PolarHBondContact O-N 2.98Å
67	K	35.6	Very low	38.3	Very low	165 Å²	165	123.9 Å²	123.9	72%	0.717	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	19.4	-174.8	-84.9	-170.6	172.4	-174.7	0	116	S63 N69	S63-K67 WeakPolarHBondContact O-CB 3.42Å; S63-K67 PolarHBondContact O-N 3.28Å; K67-N69 PolarHBondContact O-N 2.9Å
68	V	37.6	Very low	37.7	Very low	115 Å²	115	129.1 Å²	129.1	70%	0.697	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-14.8	-176.7	173.6	0	0	0	0	114.4	L66	L66-V68 VanDerWaalsContact C-N 3.34Å; L66-V68 PolarHBondContact O-N 2.98Å
69	N	31.7	Very low	36.9	Very low	146 Å²	146	133.1 Å²	133.1	78%	0.781	68%	0.683	S	S	*	*	S	Bend	trans	-121.1	91.4	179.7	-82.2	-3.1	0	0	0	112	K67	K67-N69 PolarHBondContact O-N 2.9Å
70	T	29.8	Very low	36.3	Very low	126 Å²	126	134.3 Å²	134.3	77%	0.773	69%	0.688	S	S	*	*			trans	172.3	107.9	146.6	43.7	0	0	0	0	108.1
71	N	30.2	Very low	36	Very low	171 Å²	171	135.5 Å²	135.5	91%	0.914	70%	0.704	S	S	*	*			trans	-170.2	81.7	147.9	-95.1	-4.3	0	0	0	107.3
72	E	29.3	Very low	35.9	Very low	173 Å²	173	134.7 Å²	134.7	81%	0.808	70%	0.704	S	S	*	*			trans	-83.6	136.7	162.3	-77.6	-174.9	151.6	0	0	109.6
73	N	26.9	Very low	35.9	Very low	139 Å²	139	137 Å²	137	74%	0.743	72%	0.717	S	S	*	*			trans	54.5	101.2	140.6	-56	-17.4	0	0	0	119.2
74	V	29.3	Very low	35.8	Very low	128 Å²	128	142.1 Å²	142.1	78%	0.776	73%	0.734	S	S	*	*			trans	-148	124.9	146.9	177.4	0	0	0	0	110.4
75	N	31.2	Very low	35.7	Very low	149 Å²	149	144 Å²	144	80%	0.797	74%	0.741	S	S	*	*			trans	87.1	91.9	158.9	-61.8	-6.8	0	0	0	120.6
76	T	26.3	Very low	35.7	Very low	119 Å²	119	141.1 Å²	141.1	73%	0.73	73%	0.732	S	S	*	*			trans	-49.6	141.6	136.4	45.3	0	0	0	0	112.4
77	D	30.9	Very low	36.2	Very low	141 Å²	141	140.5 Å²	140.5	75%	0.754	73%	0.725	S	S	*	*				161	144.2	128.4	-76.1	-15.3	0	0	0	111.1
78	H	37.7	Very low	36.8	Very low	168 Å²	168	138.6 Å²	138.6	78%	0.778	72%	0.719	S	S	*	*			trans	101.1	77.8	180	-57.1	-59	0	0	0	117.6
79	E	33.4	Very low	37.2	Very low	167 Å²	167	136.6 Å²	136.6	78%	0.78	71%	0.71	S	S	*	*			trans	-9	143.3	139.9	-68.7	-174.3	150.2	0	0	119.8
80	K	34.3	Very low	38	Very low	169 Å²	169	138.6 Å²	138.6	74%	0.735	71%	0.707	S	S	*	*	S	Bend	trans	92.8	118.6	156.2	-71.1	166.5	-175.9	170.3	0	117.5	N82	K80-N82 PolarHBondContact O-N 3.29Å
81	T	45.8	Very low	39.1	Very low	142 Å²	142	138.3 Å²	138.3	87%	0.871	70%	0.695	S	S	*	*	S	Bend	trans	63.4	6.2	177.9	41.1	0	0	0	0	117.9
82	N	46.3	Very low	40.2	Very low	84 Å²	84	135.5 Å²	135.5	45%	0.449	68%	0.676	S	S	.	*	H	α-helix	trans	-87.6	1.8	-177	-70.3	-28.2	0	0	0	115.3	K80 S86	K80-N82 PolarHBondContact O-N 3.29Å; N82-S86 VanDerWaalsContact O-CA 3.28Å; N82-S86 WeakPolarHBondContact O-CA 3.27Å; N82-S86 WeakPolarHBondContact O-CB 3.46Å; N82-S86 PolarHBondContact O-N 3.33Å; N82-S86 PolarHBondContact O-OG 3.37Å
83	E	43.2	Very low	41.5	Very low	166 Å²	166	129.6 Å²	129.6	78%	0.776	65%	0.654	S	S	*	*	H	α-helix	trans	-68.3	-47	179.6	-80.8	-172.2	168.3	0	0	112	S86 E87	E83-S86 PolarHBondContact O-OG 2.87Å; E83-E87 VanDerWaalsContact O-CB 3.25Å; E83-E87 WeakPolarHBondContact O-CB 3.42Å; E83-E87 WeakPolarHBondContact O-CG 3.36Å; E83-E87 PolarHBondContact O-N 3.23Å
84	E	42.4	Very low	43	Very low	163 Å²	163	127.6 Å²	127.6	76%	0.762	64%	0.642	S	S	*	*	H	α-helix	trans	-67.7	-40.3	175.2	-68.7	-173.4	163	0	0	112	E87 Q88	E84-E87 PolarHBondContact O-N 3.15Å; E84-Q88 WeakPolarHBondContact O-CB 3.34Å; E84-Q88 WeakPolarHBondContact O-CG 3.38Å; E84-Q88 PolarHBondContact O-N 2.88Å
85	F	43.6	Very low	44.6	Very low	147 Å²	147	125 Å²	125	65%	0.645	62%	0.623	S	S	*	*	H	α-helix	trans	-72.2	-34.4	179.5	-143.7	-90	0	0	0	112.4	S89	F85-S89 WeakPolarHBondContact O-CB 3.41Å; F85-S89 PolarHBondContact O-N 3.25Å
86	S	46.6	Very low	46.2	Very low	60 Å²	60	122 Å²	122	42%	0.42	61%	0.608	S	S	.	*	H	α-helix	trans	-76.7	-35.2	174.3	81.5	0	0	0	0	111.1	N82 E83 S89 R90	N82-S86 VanDerWaalsContact O-CA 3.28Å; N82-S86 WeakPolarHBondContact O-CA 3.27Å; N82-S86 WeakPolarHBondContact O-CB 3.46Å; N82-S86 PolarHBondContact O-N 3.33Å; N82-S86 PolarHBondContact O-OG 3.37Å; E83-S86 PolarHBondContact O-OG 2.87Å; S86-S89 PolarHBondContact O-N 3.41Å; S86-R90 WeakPolarHBondContact O-CA 3.3Å; S86-R90 WeakPolarHBondContact O-CB 3.37Å; S86-R90 PolarHBondContact O-N 3.42Å
87	E	48.1	Very low	48.3	Very low	112 Å²	112	123.4 Å²	123.4	52%	0.523	60%	0.603	S	S	.	*	H	α-helix	trans	-62	-46.3	170.6	-87.7	-142.1	172.9	0	0	110.7	E83 E84 K91	E83-E87 VanDerWaalsContact O-CB 3.25Å; E83-E87 WeakPolarHBondContact O-CB 3.42Å; E83-E87 WeakPolarHBondContact O-CG 3.36Å; E83-E87 PolarHBondContact O-N 3.23Å; E84-E87 PolarHBondContact O-N 3.15Å; E87-K91 WeakPolarHBondContact O-CB 3.34Å; E87-K91 WeakPolarHBondContact O-CD 3.28Å; E87-K91 WeakPolarHBondContact O-CG 3.28Å; E87-K91 PolarHBondContact O-N 3.33Å; E87-K91 IonicContact OE2-NZ 2.69Å; E87-K91 PolarHBondContact OE2-NZ 3.31Å
88	Q	47.8	Very low	49.8	Very low	125 Å²	125	120.3 Å²	120.3	58%	0.584	59%	0.592	S	S	*	*	H	α-helix	trans	-64	-46.2	175.6	-81.2	174.3	-19.8	0	0	111.5	E84 R90 K91 Q92	E84-Q88 WeakPolarHBondContact O-CB 3.34Å; E84-Q88 WeakPolarHBondContact O-CG 3.38Å; E84-Q88 PolarHBondContact O-N 2.88Å; Q88-R90 PolarHBondContact O-N 3.37Å; Q88-K91 PolarHBondContact O-N 3.14Å; Q88-Q92 WeakPolarHBondContact O-CB 3.46Å; Q88-Q92 PolarHBondContact O-N 3.38Å
89	S	47.1	Very low	51.2	Low	74 Å²	74	117.4 Å²	117.4	52%	0.517	58%	0.579	S	S	.	*	H	α-helix	trans	-64.9	-37.8	178.9	-173.3	0	0	0	0	112.5	F85 S86 Q92 S93	F85-S89 WeakPolarHBondContact O-CB 3.41Å; F85-S89 PolarHBondContact O-N 3.25Å; S86-S89 PolarHBondContact O-N 3.41Å; S89-Q92 PolarHBondContact O-N 2.9Å; S89-S93 WeakPolarHBondContact O-CB 3.37Å; S89-S93 PolarHBondContact O-N 2.77Å
90	R	48.4	Very low	53.1	Low	188 Å²	188	116.2 Å²	116.2	71%	0.709	57%	0.568	S	S	*	*	H	α-helix	trans	-73.5	-38.5	177	-159.1	173.5	-176.3	-172.4	1	111.1	S86 Q88 S93 I94	S86-R90 WeakPolarHBondContact O-CA 3.3Å; S86-R90 WeakPolarHBondContact O-CB 3.37Å; S86-R90 PolarHBondContact O-N 3.42Å; Q88-R90 PolarHBondContact O-N 3.37Å; R90-S93 PolarHBondContact O-N 3.28Å; R90-I94 WeakPolarHBondContact O-CD1 3.37Å; R90-I94 VanDerWaalsContact O-CG1 3.24Å; R90-I94 WeakPolarHBondContact O-CG1 3.22Å; R90-I94 PolarHBondContact O-N 3.5Å
91	K	52.8	Low	55	Low	120 Å²	120	114.5 Å²	114.5	52%	0.522	56%	0.561	S	S	.	*	H	α-helix	trans	-60.3	-46	169	-78.9	166.7	176.3	156	0	110.6	E87 Q88 I94 I95	E87-K91 WeakPolarHBondContact O-CB 3.34Å; E87-K91 WeakPolarHBondContact O-CD 3.28Å; E87-K91 WeakPolarHBondContact O-CG 3.28Å; E87-K91 PolarHBondContact O-N 3.33Å; E87-K91 IonicContact OE2-NZ 2.69Å; E87-K91 PolarHBondContact OE2-NZ 3.31Å; Q88-K91 PolarHBondContact O-N 3.14Å; K91-I94 PolarHBondContact O-N 3.35Å; K91-I95 WeakPolarHBondContact O-CD1 3.45Å; K91-I95 WeakPolarHBondContact O-CG1 3.37Å; K91-I95 PolarHBondContact O-N 2.99Å
92	Q	53.5	Low	56.1	Low	111 Å²	111	113.4 Å²	113.4	52%	0.519	55%	0.547	S	S	.	.	H	α-helix	trans	-63.1	-43.7	177.8	-148.2	72.3	6.9	0	0	111.8	Q88 S89 I94 I95 D96	Q88-Q92 WeakPolarHBondContact O-CB 3.46Å; Q88-Q92 PolarHBondContact O-N 3.38Å; S89-Q92 PolarHBondContact O-N 2.9Å; Q92-I94 VanDerWaalsContact C-N 3.35Å; Q92-I94 PolarHBondContact O-N 2.9Å; Q92-I95 WeakPolarHBondContact O-CB 3.3Å; Q92-I95 PolarHBondContact O-N 3.47Å; Q92-D96 VanDerWaalsContact O-CG 3.29Å; Q92-D96 PolarHBondContact O-N 2.94Å
93	S	55.8	Low	57.6	Low	49 Å²	49	113.7 Å²	113.7	34%	0.343	55%	0.548	S	S	.	.	H	α-helix	trans	-61.1	-39.9	176.2	-175.4	0	0	0	0	113	S89 R90 K97	S89-S93 WeakPolarHBondContact O-CB 3.37Å; S89-S93 PolarHBondContact O-N 2.77Å; R90-S93 PolarHBondContact O-N 3.28Å; S93-K97 WeakPolarHBondContact O-CG 3Å; S93-K97 PolarHBondContact O-N 2.67Å
94	I	57.6	Low	59.2	Low	98 Å²	98	111.7 Å²	111.7	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-67.8	-41.7	176	-67.5	164.3	0	0	0	110.3	R90 K91 Q92 K97 C98	R90-I94 WeakPolarHBondContact O-CD1 3.37Å; R90-I94 VanDerWaalsContact O-CG1 3.24Å; R90-I94 WeakPolarHBondContact O-CG1 3.22Å; R90-I94 PolarHBondContact O-N 3.5Å; K91-I94 PolarHBondContact O-N 3.35Å; Q92-I94 VanDerWaalsContact C-N 3.35Å; Q92-I94 PolarHBondContact O-N 2.9Å; I94-K97 PolarHBondContact O-N 3.41Å; I94-C98 WeakPolarHBondContact O-CB 3.47Å; I94-C98 PolarHBondContact O-N 3.44Å
95	I	63.9	Low	60.8	Low	73 Å²	73	108.4 Å²	108.4	37%	0.374	52%	0.517	S	S	.	.	H	α-helix	trans	-60.5	-45.9	175.9	-68.4	162.9	0	0	0	110.3	K91 Q92 K97 C98 Q99	K91-I95 WeakPolarHBondContact O-CD1 3.45Å; K91-I95 WeakPolarHBondContact O-CG1 3.37Å; K91-I95 PolarHBondContact O-N 2.99Å; Q92-I95 WeakPolarHBondContact O-CB 3.3Å; Q92-I95 PolarHBondContact O-N 3.47Å; I95-K97 PolarHBondContact O-N 3.49Å; I95-C98 PolarHBondContact O-N 3.13Å; I95-Q99 HydrophobicContact CG2-CG 4.29Å; I95-Q99 WeakPolarHBondContact O-CB 3.4Å; I95-Q99 VanDerWaalsContact O-CG 3.31Å; I95-Q99 WeakPolarHBondContact O-CG 3.47Å; I95-Q99 PolarHBondContact O-N 2.62Å
96	D	64.7	Low	62.3	Low	87 Å²	87	105.5 Å²	105.5	47%	0.465	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-40.6	179.5	-69.2	-17.8	0	0	0	112.1	Q92 Q99 Y100	Q92-D96 VanDerWaalsContact O-CG 3.29Å; Q92-D96 PolarHBondContact O-N 2.94Å; D96-Q99 PolarHBondContact O-N 3.49Å; D96-Y100 VanDerWaalsContact O-CB 3.27Å; D96-Y100 WeakPolarHBondContact O-CB 3.5Å; D96-Y100 PolarHBondContact O-N 2.94Å
97	K	69.6	Low	63.6	Low	147 Å²	147	109.2 Å²	109.2	64%	0.639	52%	0.516	S	S	*	.	H	α-helix	trans	-64.4	-43.4	173.9	-74.4	175.6	-176.2	177.3	0	111.8	S93 I94 I95 Y100 F101	S93-K97 WeakPolarHBondContact O-CG 3Å; S93-K97 PolarHBondContact O-N 2.67Å; I94-K97 PolarHBondContact O-N 3.41Å; I95-K97 PolarHBondContact O-N 3.49Å; K97-Y100 PolarHBondContact O-N 3.27Å; K97-F101 WeakPolarHBondContact O-CB 3.45Å; K97-F101 PolarHBondContact O-N 3.46Å
98	C	63.5	Low	65.1	Low	76 Å²	76	109.8 Å²	109.8	51%	0.514	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-45	175.7	-97.5	0	0	0	0	111.5	I94 I95 F101 M102	I94-C98 WeakPolarHBondContact O-CB 3.47Å; I94-C98 PolarHBondContact O-N 3.44Å; I95-C98 PolarHBondContact O-N 3.13Å; C98-F101 PolarHBondContact O-N 2.96Å; C98-M102 VanDerWaalsContact O-CB 3.3Å; C98-M102 WeakPolarHBondContact O-CB 3.16Å; C98-M102 WeakPolarHBondContact O-CG 3.48Å; C98-M102 PolarHBondContact O-N 3.35Å
99	Q	67.2	Low	66.4	Low	108 Å²	108	105.8 Å²	105.8	51%	0.505	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-44.2	175.9	-74.4	-178.3	5.7	0	0	111.2	I95 D96 M102 I103	I95-Q99 HydrophobicContact CG2-CG 4.29Å; I95-Q99 WeakPolarHBondContact O-CB 3.4Å; I95-Q99 VanDerWaalsContact O-CG 3.31Å; I95-Q99 WeakPolarHBondContact O-CG 3.47Å; I95-Q99 PolarHBondContact O-N 2.62Å; D96-Q99 PolarHBondContact O-N 3.49Å; Q99-M102 PolarHBondContact O-N 2.95Å; Q99-I103 WeakPolarHBondContact O-CB 3.46Å; Q99-I103 WeakPolarHBondContact O-CD1 3.2Å; Q99-I103 WeakPolarHBondContact O-CG1 3.36Å; Q99-I103 PolarHBondContact O-N 3.35Å
100	Y	72.1	Confident	67.8	Low	141 Å²	141	104.1 Å²	104.1	55%	0.553	48%	0.481	S	S	*	.	H	α-helix	trans	-60.7	-47.7	176.1	-175.9	-94.4	0	0	0	111.8	D96 K97 I103 R104	D96-Y100 VanDerWaalsContact O-CB 3.27Å; D96-Y100 WeakPolarHBondContact O-CB 3.5Å; D96-Y100 PolarHBondContact O-N 2.94Å; K97-Y100 PolarHBondContact O-N 3.27Å; Y100-I103 PolarHBondContact O-N 3.31Å; Y100-R104 HydrophobicContact CD1-CG 4.29Å; Y100-R104 HydrophobicContact CE1-CG 3.94Å; Y100-R104 WeakPolarHBondContact O-CG 3.5Å; Y100-R104 PolarHBondContact O-N 3.16Å; Y100-R104 PolarHBondContact OH-NH1 3.07Å; Y100-R104 VanDerWaalsContact OH-NH1 3.15Å
101	F	74.9	Confident	69.1	Low	133 Å²	133	98.5 Å²	98.5	58%	0.583	47%	0.467	S	S	*	.	H	α-helix	trans	-59.4	-47.5	175.5	177.7	-98	0	0	0	111.4	K97 C98 I103 R104 F105	K97-F101 WeakPolarHBondContact O-CB 3.45Å; K97-F101 PolarHBondContact O-N 3.46Å; C98-F101 PolarHBondContact O-N 2.96Å; F101-I103 PolarHBondContact O-N 2.9Å; F101-R104 PolarHBondContact O-N 3.36Å; F101-F105 HydrophobicContact CE1-CB 4.45Å; F101-F105 VanDerWaalsContact O-CB 3.29Å; F101-F105 WeakPolarHBondContact O-CB 3.35Å; F101-F105 PolarHBondContact O-N 3.42Å
102	M	70.1	Confident	70.4	Confident	119 Å²	119	96.4 Å²	96.4	59%	0.586	46%	0.457	S	S	*	.	H	α-helix	trans	-61.8	-41.9	178.9	-75.1	-67.2	-84.7	0	0	112.2	C98 Q99 F105 L106	C98-M102 VanDerWaalsContact O-CB 3.3Å; C98-M102 WeakPolarHBondContact O-CB 3.16Å; C98-M102 WeakPolarHBondContact O-CG 3.48Å; C98-M102 PolarHBondContact O-N 3.35Å; Q99-M102 PolarHBondContact O-N 2.95Å; M102-F105 PolarHBondContact O-N 3.08Å; M102-L106 WeakPolarHBondContact O-CB 3.48Å; M102-L106 PolarHBondContact O-N 3.01Å
103	I	75.9	Confident	71.9	Confident	91 Å²	91	93.5 Å²	93.5	47%	0.467	44%	0.444	S	S	.	.	H	α-helix	trans	-64.9	-41	175.9	-68.6	163.7	0	0	0	110.7	Q99 Y100 F101 K107	Q99-I103 WeakPolarHBondContact O-CB 3.46Å; Q99-I103 WeakPolarHBondContact O-CD1 3.2Å; Q99-I103 WeakPolarHBondContact O-CG1 3.36Å; Q99-I103 PolarHBondContact O-N 3.35Å; Y100-I103 PolarHBondContact O-N 3.31Å; F101-I103 PolarHBondContact O-N 2.9Å; I103-K107 HydrophobicContact CG2-CD 4.24Å; I103-K107 WeakPolarHBondContact O-CB 3.21Å; I103-K107 VanDerWaalsContact O-CG 3.29Å; I103-K107 WeakPolarHBondContact O-CG 3.31Å; I103-K107 PolarHBondContact O-N 3.43Å
104	R	77	Confident	73.2	Confident	123 Å²	123	91.7 Å²	91.7	46%	0.464	43%	0.431	S	S	.	.	H	α-helix	trans	-69.9	-41.9	177.5	-68.7	-144.7	81.2	149.1	-1.9	112.2	Y100 F101 K107 W108	Y100-R104 HydrophobicContact CD1-CG 4.29Å; Y100-R104 HydrophobicContact CE1-CG 3.94Å; Y100-R104 WeakPolarHBondContact O-CG 3.5Å; Y100-R104 PolarHBondContact O-N 3.16Å; Y100-R104 PolarHBondContact OH-NH1 3.07Å; Y100-R104 VanDerWaalsContact OH-NH1 3.15Å; F101-R104 PolarHBondContact O-N 3.36Å; R104-K107 PolarHBondContact O-N 3.39Å; R104-W108 VanDerWaalsContact O-CB 3.31Å; R104-W108 WeakPolarHBondContact O-CB 3.48Å; R104-W108 PolarHBondContact O-N 3.35Å
105	F	77.5	Confident	74.5	Confident	95 Å²	95	88.6 Å²	88.6	42%	0.417	42%	0.415	S	S	.	.	H	α-helix	trans	-61.7	-45.6	175.4	-179.3	-103.2	0	0	0	110.5	F101 M102 K107 W108 L109	F101-F105 HydrophobicContact CE1-CB 4.45Å; F101-F105 VanDerWaalsContact O-CB 3.29Å; F101-F105 WeakPolarHBondContact O-CB 3.35Å; F101-F105 PolarHBondContact O-N 3.42Å; M102-F105 PolarHBondContact O-N 3.08Å; F105-K107 PolarHBondContact O-N 3.5Å; F105-W108 HydrophobicContact CD2-CE3 4.26Å; F105-W108 HydrophobicContact CE2-CE3 4.08Å; F105-W108 HydrophobicContact CE2-CZ3 4.05Å; F105-W108 WeakPolarHBondContact O-CB 3.43Å; F105-W108 PolarHBondContact O-N 2.97Å; F105-L109 HydrophobicContact CE1-CD1 4.44Å; F105-L109 HydrophobicContact CZ-CD1 4.25Å; F105-L109 VanDerWaalsContact O-CB 3.28Å; F105-L109 WeakPolarHBondContact O-CB 3.33Å; F105-L109 PolarHBondContact O-N 3.26Å
106	L	73.5	Confident	75.4	Confident	85 Å²	85	86.8 Å²	86.8	45%	0.445	41%	0.405	S	S	.	.	H	α-helix	trans	-63.3	-42.6	176.3	-172.7	65.8	0	0	0	112	M102 W108 L109 I110	M102-L106 WeakPolarHBondContact O-CB 3.48Å; M102-L106 PolarHBondContact O-N 3.01Å; L106-W108 VanDerWaalsContact C-N 3.34Å; L106-W108 PolarHBondContact O-N 2.97Å; L106-L109 PolarHBondContact O-N 2.91Å; L106-I110 HydrophobicContact CD1-CD1 4.31Å; L106-I110 HydrophobicContact CG-CD1 3.92Å; L106-I110 WeakPolarHBondContact O-CB 3.42Å; L106-I110 VanDerWaalsContact O-CG1 3.24Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 3.43Å
107	K	75.3	Confident	76.2	Confident	139 Å²	139	87.1 Å²	87.1	60%	0.604	40%	0.404	S	S	*	.	H	α-helix	trans	-62.3	-41.1	173.8	-77.9	176.9	-179.3	178	0	112.2	I103 R104 F105 T111	I103-K107 HydrophobicContact CG2-CD 4.24Å; I103-K107 WeakPolarHBondContact O-CB 3.21Å; I103-K107 VanDerWaalsContact O-CG 3.29Å; I103-K107 WeakPolarHBondContact O-CG 3.31Å; I103-K107 PolarHBondContact O-N 3.43Å; R104-K107 PolarHBondContact O-N 3.39Å; F105-K107 PolarHBondContact O-N 3.5Å; K107-T111 WeakPolarHBondContact O-CB 3.44Å; K107-T111 PolarHBondContact O-N 2.77Å; K107-T111 VanDerWaalsContact O-N 3.12Å; K107-T111 PolarHBondContact O-OG1 3.23Å
108	W	79	Confident	76.9	Confident	124 Å²	124	80.7 Å²	80.7	47%	0.47	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-47.9	175	175.7	95.3	0	0	0	110.7	R104 F105 L106 I110 T111 Y112	R104-W108 VanDerWaalsContact O-CB 3.31Å; R104-W108 WeakPolarHBondContact O-CB 3.48Å; R104-W108 PolarHBondContact O-N 3.35Å; F105-W108 HydrophobicContact CD2-CE3 4.26Å; F105-W108 HydrophobicContact CE2-CE3 4.08Å; F105-W108 HydrophobicContact CE2-CZ3 4.05Å; F105-W108 WeakPolarHBondContact O-CB 3.43Å; F105-W108 PolarHBondContact O-N 2.97Å; L106-W108 VanDerWaalsContact C-N 3.34Å; L106-W108 PolarHBondContact O-N 2.97Å; W108-I110 PolarHBondContact O-N 2.94Å; W108-T111 WeakPolarHBondContact O-CB 3.38Å; W108-T111 PolarHBondContact O-N 2.89Å; W108-T111 VanDerWaalsContact O-N 3.1Å; W108-Y112 AromaticContact CD1-CD2 3.85Å; W108-Y112 AromaticContact CD1-CE2 3.47Å; W108-Y112 VanDerWaalsContact CD1-CE2 3.47Å; W108-Y112 AromaticContact CD2-CD2 3.96Å; W108-Y112 HydrophobicContact CD2-CD2 3.96Å; W108-Y112 HydrophobicContact CD2-CE2 4.32Å; W108-Y112 AromaticContact CE2-CD2 3.62Å; W108-Y112 AromaticContact CE2-CE2 3.75Å; W108-Y112 HydrophobicContact CG-CD2 4.06Å; W108-Y112 HydrophobicContact CG-CE2 4.13Å; W108-Y112 HydrophobicContact CZ2-CD2 4.12Å; W108-Y112 HydrophobicContact CZ2-CE2 4.41Å; W108-Y112 AromaticContact NE1-CD2 3.58Å; W108-Y112 AromaticContact NE1-CE2 3.2Å; W108-Y112 VanDerWaalsContact O-CD2 3.3Å; W108-Y112 WeakPolarHBondContact O-CD2 3.25Å; W108-Y112 PolarHBondContact O-N 3.19Å; W108-Y112 VanDerWaalsContact O-N 3.14Å
109	L	76.1	Confident	77.9	Confident	40 Å²	40	80.9 Å²	80.9	21%	0.209	37%	0.372	C	S	.	.	H	α-helix	trans	-59.1	-49.1	178.4	-163.8	81.7	0	0	0	111	F105 L106 T111 Y112 L113 I116	F105-L109 HydrophobicContact CE1-CD1 4.44Å; F105-L109 HydrophobicContact CZ-CD1 4.25Å; F105-L109 VanDerWaalsContact O-CB 3.28Å; F105-L109 WeakPolarHBondContact O-CB 3.33Å; F105-L109 PolarHBondContact O-N 3.26Å; L106-L109 PolarHBondContact O-N 2.91Å; L109-T111 PolarHBondContact O-N 3.43Å; L109-Y112 PolarHBondContact O-N 2.93Å; L109-L113 HydrophobicContact CD1-CD1 3.79Å; L109-L113 HydrophobicContact CG-CD1 4.1Å; L109-L113 WeakPolarHBondContact O-CA 3.29Å; L109-L113 VanDerWaalsContact O-CB 3.29Å; L109-L113 WeakPolarHBondContact O-CB 3.39Å; L109-L113 PolarHBondContact O-N 3.3Å; L109-I116 HydrophobicContact CD2-CD1 3.35Å; L109-I116 HydrophobicContact CG-CD1 3.62Å
110	I	75.6	Confident	78.6	Confident	40 Å²	40	81 Å²	81	21%	0.205	37%	0.374	C	S	.	.	H	α-helix	trans	-60.8	-32.5	177.1	-71.1	166.3	0	0	0	112	L106 W108 I116 Q117 M120	L106-I110 HydrophobicContact CD1-CD1 4.31Å; L106-I110 HydrophobicContact CG-CD1 3.92Å; L106-I110 WeakPolarHBondContact O-CB 3.42Å; L106-I110 VanDerWaalsContact O-CG1 3.24Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 3.43Å; W108-I110 PolarHBondContact O-N 2.94Å; I110-I116 HydrophobicContact CG1-CG2 4.35Å; I110-Q117 HydrophobicContact CG2-CB 4.14Å; I110-M120 HydrophobicContact CD1-CE 3.91Å; I110-M120 HydrophobicContact CG1-CE 4.43Å
111	T	76.2	Confident	79.1	Confident	70 Å²	70	80.3 Å²	80.3	43%	0.429	38%	0.375	S	S	.	.	H	α-helix	trans	-70.8	-41.3	179.9	-57.1	0	0	0	0	111.8	K107 W108 L109	K107-T111 WeakPolarHBondContact O-CB 3.44Å; K107-T111 PolarHBondContact O-N 2.77Å; K107-T111 VanDerWaalsContact O-N 3.12Å; K107-T111 PolarHBondContact O-OG1 3.23Å; W108-T111 WeakPolarHBondContact O-CB 3.38Å; W108-T111 PolarHBondContact O-N 2.89Å; W108-T111 VanDerWaalsContact O-N 3.1Å; L109-T111 PolarHBondContact O-N 3.43Å
112	Y	79.4	Confident	79.7	Confident	76 Å²	76	75.5 Å²	75.5	30%	0.298	35%	0.353	S	S	.	.	H	α-helix	trans	-94.5	-19.4	-176.8	-69.1	-70.1	0	0	0	114.2	W108 L109 P114 Q431 I434	W108-Y112 AromaticContact CD1-CD2 3.85Å; W108-Y112 AromaticContact CD1-CE2 3.47Å; W108-Y112 VanDerWaalsContact CD1-CE2 3.47Å; W108-Y112 AromaticContact CD2-CD2 3.96Å; W108-Y112 HydrophobicContact CD2-CD2 3.96Å; W108-Y112 HydrophobicContact CD2-CE2 4.32Å; W108-Y112 AromaticContact CE2-CD2 3.62Å; W108-Y112 AromaticContact CE2-CE2 3.75Å; W108-Y112 HydrophobicContact CG-CD2 4.06Å; W108-Y112 HydrophobicContact CG-CE2 4.13Å; W108-Y112 HydrophobicContact CZ2-CD2 4.12Å; W108-Y112 HydrophobicContact CZ2-CE2 4.41Å; W108-Y112 AromaticContact NE1-CD2 3.58Å; W108-Y112 AromaticContact NE1-CE2 3.2Å; W108-Y112 VanDerWaalsContact O-CD2 3.3Å; W108-Y112 WeakPolarHBondContact O-CD2 3.25Å; W108-Y112 PolarHBondContact O-N 3.19Å; W108-Y112 VanDerWaalsContact O-N 3.14Å; L109-Y112 PolarHBondContact O-N 2.93Å; Y112-P114 VanDerWaalsContact C-CD 3.48Å; Y112-P114 WeakPolarHBondContact O-CD 3.14Å; Y112-Q431 PolarHBondContact O-NE2 2.92Å; Y112-I434 HydrophobicContact CE1-CD1 4.15Å
113	L	84.3	Confident	80.5	Confident	49 Å²	49	77.9 Å²	77.9	26%	0.257	36%	0.356	S	S	.	.			trans	-120.1	74.4	173.6	-64	176.5	0	0	0	109.4	L109 F115 I116 F173	L109-L113 HydrophobicContact CD1-CD1 3.79Å; L109-L113 HydrophobicContact CG-CD1 4.1Å; L109-L113 WeakPolarHBondContact O-CA 3.29Å; L109-L113 VanDerWaalsContact O-CB 3.29Å; L109-L113 WeakPolarHBondContact O-CB 3.39Å; L109-L113 PolarHBondContact O-N 3.3Å; L113-F115 HydrophobicContact CB-CD1 3.8Å; L113-F115 HydrophobicContact CB-CE1 3.77Å; L113-F115 HydrophobicContact CD1-CE1 4.13Å; L113-F115 HydrophobicContact CD2-CD1 4.36Å; L113-F115 HydrophobicContact CD2-CE1 4.15Å; L113-F115 HydrophobicContact CG-CE1 4.24Å; L113-F115 PolarHBondContact O-N 3.1Å; L113-F115 VanDerWaalsContact O-N 3.07Å; L113-I116 HydrophobicContact CB-CD1 3.85Å; L113-I116 HydrophobicContact CB-CG1 4.13Å; L113-I116 HydrophobicContact CD1-CD1 4.16Å; L113-I116 PolarHBondContact O-N 2.71Å; L113-I116 VanDerWaalsContact O-N 3.12Å; L113-F173 HydrophobicContact CD2-CB 4.4Å
114	P	83.5	Confident	81.1	Confident	11 Å²	11	77.7 Å²	77.7	7%	0.071	36%	0.359	C	S	.	.	H	α-helix	trans	-61.9	-20.9	-176	-18.6	31.6	0	0	0	112.9	Y112 I116 Q117 I118 L174 G175 T176 Q431	Y112-P114 VanDerWaalsContact C-CD 3.48Å; Y112-P114 WeakPolarHBondContact O-CD 3.14Å; P114-I116 PolarHBondContact O-N 3.09Å; P114-Q117 WeakPolarHBondContact O-CB 3.36Å; P114-Q117 PolarHBondContact O-N 3Å; P114-Q117 VanDerWaalsContact O-N 3.1Å; P114-I118 PolarHBondContact O-N 3.04Å; P114-L174 WeakPolarHBondContact CD-O 3.25Å; P114-G175 WeakPolarHBondContact CB-O 3.14Å; P114-T176 HydrophobicContact CB-CG2 4.34Å; P114-T176 HydrophobicContact CG-CG2 3.77Å; P114-Q431 HydrophobicContact CG-CG 4.23Å
115	F	84.7	Confident	81.5	Confident	34 Å²	34	81.8 Å²	81.8	15%	0.149	38%	0.38	C	S	.	.	H	α-helix	trans	-57.8	-32.4	176.7	91.3	-88.1	0	0	0	112.5	L113 Q117 I118 L119 F172 F173	L113-F115 HydrophobicContact CB-CD1 3.8Å; L113-F115 HydrophobicContact CB-CE1 3.77Å; L113-F115 HydrophobicContact CD1-CE1 4.13Å; L113-F115 HydrophobicContact CD2-CD1 4.36Å; L113-F115 HydrophobicContact CD2-CE1 4.15Å; L113-F115 HydrophobicContact CG-CE1 4.24Å; L113-F115 PolarHBondContact O-N 3.1Å; L113-F115 VanDerWaalsContact O-N 3.07Å; F115-Q117 VanDerWaalsContact C-N 3.33Å; F115-Q117 PolarHBondContact O-N 3.1Å; F115-I118 PolarHBondContact O-N 3.33Å; F115-I118 VanDerWaalsContact O-N 3.16Å; F115-L119 HydrophobicContact CD2-CD1 3.49Å; F115-L119 VanDerWaalsContact CD2-CD1 3.49Å; F115-L119 HydrophobicContact CD2-CG 4.14Å; F115-L119 HydrophobicContact CE2-CD1 3.59Å; F115-L119 WeakPolarHBondContact O-CG 3.49Å; F115-L119 PolarHBondContact O-N 3.27Å; F115-F172 VanDerWaalsContact CB-O 3.23Å; F115-F172 WeakPolarHBondContact CB-O 3.35Å; F115-F172 HydrophobicContact CD2-CE1 4.08Å; F115-F172 HydrophobicContact CD2-CZ 4.09Å; F115-F173 HydrophobicContact CD1-CB 4.18Å; F115-F173 AromaticContact CD1-CD1 3.97Å; F115-F173 HydrophobicContact CD1-CD1 3.97Å; F115-F173 VanDerWaalsContact CD1-O 3.3Å; F115-F173 WeakPolarHBondContact CD1-O 3.39Å; F115-F173 HydrophobicContact CD2-CD1 4.42Å; F115-F173 HydrophobicContact CE1-CB 4.43Å; F115-F173 AromaticContact CE1-CD1 3.74Å; F115-F173 HydrophobicContact CE1-CD1 3.74Å; F115-F173 HydrophobicContact CE2-CD1 4.25Å; F115-F173 HydrophobicContact CG-CD1 4.3Å; F115-F173 AromaticContact CZ-CD1 3.9Å; F115-F173 HydrophobicContact CZ-CD1 3.9Å; F115-F173 HydrophobicContact CZ-CE1 4.36Å
116	I	83.8	Confident	81.7	Confident	34 Å²	34	80 Å²	80	17%	0.174	38%	0.379	C	S	.	.	H	α-helix	trans	-62.4	-44	177.8	-59.6	177.3	0	0	0	109.9	L109 I110 L113 P114 I118 L119 M120	L109-I116 HydrophobicContact CD2-CD1 3.35Å; L109-I116 HydrophobicContact CG-CD1 3.62Å; I110-I116 HydrophobicContact CG1-CG2 4.35Å; L113-I116 HydrophobicContact CB-CD1 3.85Å; L113-I116 HydrophobicContact CB-CG1 4.13Å; L113-I116 HydrophobicContact CD1-CD1 4.16Å; L113-I116 PolarHBondContact O-N 2.71Å; L113-I116 VanDerWaalsContact O-N 3.12Å; P114-I116 PolarHBondContact O-N 3.09Å; I116-I118 VanDerWaalsContact C-N 3.25Å; I116-I118 PolarHBondContact O-N 3.25Å; I116-L119 PolarHBondContact O-N 3.08Å; I116-M120 HydrophobicContact CG2-CE 4.4Å; I116-M120 HydrophobicContact CG2-CG 4.4Å; I116-M120 HydrophobicContact CG2-SD 4.46Å; I116-M120 WeakPolarHBondContact O-CB 3.4Å; I116-M120 VanDerWaalsContact O-CG 3.3Å; I116-M120 WeakPolarHBondContact O-CG 3.4Å; I116-M120 PolarHBondContact O-N 3.03Å
117	Q	81	Confident	82.5	Confident	95 Å²	95	78.7 Å²	78.7	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-61.4	-37.6	177.3	-168.8	179.6	8.1	0	0	111.8	I110 P114 F115 H121	I110-Q117 HydrophobicContact CG2-CB 4.14Å; P114-Q117 WeakPolarHBondContact O-CB 3.36Å; P114-Q117 PolarHBondContact O-N 3Å; P114-Q117 VanDerWaalsContact O-N 3.1Å; F115-Q117 VanDerWaalsContact C-N 3.33Å; F115-Q117 PolarHBondContact O-N 3.1Å; Q117-H121 PolarHBondContact O-N 3.2Å; Q117-H121 PolarHBondContact O-ND1 3.39Å
118	I	83.8	Confident	83.3	Confident	11 Å²	11	75.2 Å²	75.2	6%	0.056	36%	0.356	C	S	.	.	H	α-helix	trans	-70.3	-46.2	179.1	-67.2	164.4	0	0	0	110.4	P114 F115 I116 M120 H121 Y122 R178 T468 Q469	P114-I118 PolarHBondContact O-N 3.04Å; F115-I118 PolarHBondContact O-N 3.33Å; F115-I118 VanDerWaalsContact O-N 3.16Å; I116-I118 VanDerWaalsContact C-N 3.25Å; I116-I118 PolarHBondContact O-N 3.25Å; I118-M120 PolarHBondContact O-N 3.46Å; I118-H121 CarbonylContact O-C 3.6Å; I118-H121 PolarHBondContact O-N 2.94Å; I118-Y122 WeakPolarHBondContact O-CB 3.42Å; I118-Y122 PolarHBondContact O-N 3.08Å; I118-Y122 VanDerWaalsContact O-N 3.1Å; I118-R178 HydrophobicContact CD1-CG 4.05Å; I118-T468 HydrophobicContact CG2-CG2 3.9Å; I118-Q469 HydrophobicContact CD1-CG 4.14Å
119	L	84.2	Confident	83.9	Confident	80 Å²	80	73.5 Å²	73.5	42%	0.419	36%	0.359	S	S	.	.	H	α-helix	trans	-62.9	-39.9	177.9	-73.1	-178.8	0	0	0	112.2	F115 I116 H121 Y122 V470	F115-L119 HydrophobicContact CD2-CD1 3.49Å; F115-L119 VanDerWaalsContact CD2-CD1 3.49Å; F115-L119 HydrophobicContact CD2-CG 4.14Å; F115-L119 HydrophobicContact CE2-CD1 3.59Å; F115-L119 WeakPolarHBondContact O-CG 3.49Å; F115-L119 PolarHBondContact O-N 3.27Å; I116-L119 PolarHBondContact O-N 3.08Å; L119-H121 VanDerWaalsContact C-N 3.26Å; L119-H121 PolarHBondContact O-N 3.04Å; L119-Y122 VanDerWaalsContact O-CB 3.23Å; L119-Y122 WeakPolarHBondContact O-CB 3.49Å; L119-Y122 PolarHBondContact O-N 3.39Å; L119-Y122 VanDerWaalsContact O-N 3.16Å; L119-V470 HydrophobicContact CD2-CG2 4Å
120	M	83	Confident	84.5	Confident	111 Å²	111	73.2 Å²	73.2	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-32.4	176.9	-74.3	-166.1	-57	0	0	113.3	I110 I116 I118	I110-M120 HydrophobicContact CD1-CE 3.91Å; I110-M120 HydrophobicContact CG1-CE 4.43Å; I116-M120 HydrophobicContact CG2-CE 4.4Å; I116-M120 HydrophobicContact CG2-CG 4.4Å; I116-M120 HydrophobicContact CG2-SD 4.46Å; I116-M120 WeakPolarHBondContact O-CB 3.4Å; I116-M120 VanDerWaalsContact O-CG 3.3Å; I116-M120 WeakPolarHBondContact O-CG 3.4Å; I116-M120 PolarHBondContact O-N 3.03Å; I118-M120 PolarHBondContact O-N 3.46Å
121	H	82.5	Confident	85.3	Confident	127 Å²	127	71.3 Å²	71.3	59%	0.588	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	13.9	179.3	-61.6	84.2	0	0	0	112.5	Q117 I118 L119 R123	Q117-H121 PolarHBondContact O-N 3.2Å; Q117-H121 PolarHBondContact O-ND1 3.39Å; I118-H121 CarbonylContact O-C 3.6Å; I118-H121 PolarHBondContact O-N 2.94Å; L119-H121 VanDerWaalsContact C-N 3.26Å; L119-H121 PolarHBondContact O-N 3.04Å; H121-R123 PolarHBondContact O-N 2.84Å
122	Y	87.9	Confident	86.2	Confident	31 Å²	31	69.7 Å²	69.7	12%	0.122	34%	0.338	C	S	.	.			trans	-77.1	120.5	-171.5	-165.4	-102.9	0	0	0	112.1	I118 L119 V124 W127 L128 D131 T468 V470	I118-Y122 WeakPolarHBondContact O-CB 3.42Å; I118-Y122 PolarHBondContact O-N 3.08Å; I118-Y122 VanDerWaalsContact O-N 3.1Å; L119-Y122 VanDerWaalsContact O-CB 3.23Å; L119-Y122 WeakPolarHBondContact O-CB 3.49Å; L119-Y122 PolarHBondContact O-N 3.39Å; L119-Y122 VanDerWaalsContact O-N 3.16Å; Y122-V124 HydrophobicContact CD1-CG2 3.97Å; Y122-V124 PolarHBondContact O-N 3.07Å; Y122-V124 VanDerWaalsContact O-N 3.16Å; Y122-W127 AromaticContact CD2-CE3 3.7Å; Y122-W127 HydrophobicContact CD2-CE3 3.7Å; Y122-W127 HydrophobicContact CD2-CZ3 4.39Å; Y122-W127 HydrophobicContact CE1-CB 4.32Å; Y122-W127 HydrophobicContact CE2-CB 3.82Å; Y122-W127 AromaticContact CE2-CE3 3.93Å; Y122-W127 HydrophobicContact CE2-CE3 3.93Å; Y122-W127 HydrophobicContact CG-CE3 4.4Å; Y122-W127 PolarHBondContact OH-O 2.94Å; Y122-L128 HydrophobicContact CE1-CB 4.23Å; Y122-L128 HydrophobicContact CE1-CD1 4.36Å; Y122-L128 VanDerWaalsContact OH-CA 3.24Å; Y122-L128 WeakPolarHBondContact OH-CA 3.36Å; Y122-L128 PolarHBondContact OH-N 3.28Å; Y122-D131 VanDerWaalsContact CE2-OD2 3.24Å; Y122-D131 WeakPolarHBondContact CE2-OD2 3.39Å; Y122-D131 PolarHBondContact OH-OD2 2.81Å; Y122-T468 HydrophobicContact CD2-CG2 3.86Å; Y122-T468 HydrophobicContact CE2-CG2 3.61Å; Y122-T468 WeakPolarHBondContact CE2-OG1 3.49Å; Y122-V470 HydrophobicContact CD2-CG2 4.45Å; Y122-V470 HydrophobicContact CE2-CB 4.5Å; Y122-V470 HydrophobicContact CE2-CG2 4.12Å
123	R	87.4	Confident	86.7	Confident	170 Å²	170	67.7 Å²	67.7	64%	0.642	33%	0.332	S	S	*	.			trans	-87.6	83.4	178.2	-63.6	-176.4	-180	-178.3	-0.2	110.6	H121 K125 S126 W127	H121-R123 PolarHBondContact O-N 2.84Å; R123-K125 VanDerWaalsContact C-N 3.27Å; R123-K125 PolarHBondContact O-N 2.97Å; R123-K125 VanDerWaalsContact O-N 3.14Å; R123-S126 PolarHBondContact O-N 2.94Å; R123-S126 VanDerWaalsContact O-N 3.1Å; R123-W127 HydrophobicContact CB-CD2 4Å; R123-W127 HydrophobicContact CB-CE3 4.4Å; R123-W127 HydrophobicContact CB-CG 4.16Å; R123-W127 HydrophobicContact CG-CZ2 4.4Å; R123-W127 WeakPolarHBondContact O-CB 3.37Å; R123-W127 PolarHBondContact O-N 3.08Å
124	V	86.7	Confident	87.1	Confident	87 Å²	87	65.3 Å²	65.3	53%	0.527	32%	0.32	S	S	.	.	H	α-helix	trans	-47.1	-47.6	-175.8	-176.6	0	0	0	0	112.6	Y122 S126 L128	Y122-V124 HydrophobicContact CD1-CG2 3.97Å; Y122-V124 PolarHBondContact O-N 3.07Å; Y122-V124 VanDerWaalsContact O-N 3.16Å; V124-S126 VanDerWaalsContact C-N 3.3Å; V124-S126 PolarHBondContact O-N 3.39Å; V124-L128 HydrophobicContact CG1-CB 4.26Å; V124-L128 HydrophobicContact CG1-CD2 3.93Å; V124-L128 WeakPolarHBondContact O-CB 3.28Å; V124-L128 PolarHBondContact O-N 3.36Å
125	K	85.3	Confident	87.6	Confident	209 Å²	209	64.9 Å²	64.9	91%	0.909	32%	0.317	S	S	*	.	H	α-helix	trans	-61.9	-29.9	-175.2	-68.1	-174.3	178.1	-177.9	0	114.8	R123	R123-K125 VanDerWaalsContact C-N 3.27Å; R123-K125 PolarHBondContact O-N 2.97Å; R123-K125 VanDerWaalsContact O-N 3.14Å
126	S	83.1	Confident	88	Confident	56 Å²	56	66.7 Å²	66.7	39%	0.392	33%	0.325	S	S	.	.	H	α-helix	trans	-115.2	-26.6	-174.7	60.1	0	0	0	0	114	R123 V124 N130	R123-S126 PolarHBondContact O-N 2.94Å; R123-S126 VanDerWaalsContact O-N 3.1Å; V124-S126 VanDerWaalsContact C-N 3.3Å; V124-S126 PolarHBondContact O-N 3.39Å; S126-N130 PolarHBondContact O-ND2 2.88Å
127	W	89.9	Confident	88.3	Confident	59 Å²	59	65.7 Å²	65.7	22%	0.223	32%	0.32	C	S	.	.	H	α-helix	trans	-95.6	-31.1	-177.3	-64.2	-2.3	0	0	0	112.4	Y122 R123 V129 N130 D131 R467 T468	Y122-W127 AromaticContact CD2-CE3 3.7Å; Y122-W127 HydrophobicContact CD2-CE3 3.7Å; Y122-W127 HydrophobicContact CD2-CZ3 4.39Å; Y122-W127 HydrophobicContact CE1-CB 4.32Å; Y122-W127 HydrophobicContact CE2-CB 3.82Å; Y122-W127 AromaticContact CE2-CE3 3.93Å; Y122-W127 HydrophobicContact CE2-CE3 3.93Å; Y122-W127 HydrophobicContact CG-CE3 4.4Å; Y122-W127 PolarHBondContact OH-O 2.94Å; R123-W127 HydrophobicContact CB-CD2 4Å; R123-W127 HydrophobicContact CB-CE3 4.4Å; R123-W127 HydrophobicContact CB-CG 4.16Å; R123-W127 HydrophobicContact CG-CZ2 4.4Å; R123-W127 WeakPolarHBondContact O-CB 3.37Å; R123-W127 PolarHBondContact O-N 3.08Å; W127-V129 PolarHBondContact O-N 2.73Å; W127-N130 PolarHBondContact O-N 3.34Å; W127-D131 WeakPolarHBondContact O-CB 3.47Å; W127-D131 PolarHBondContact O-N 2.96Å; W127-R467 HydrophobicContact CB-CB 4.5Å; W127-R467 HydrophobicContact CD2-CB 4.3Å; W127-R467 HydrophobicContact CG-CB 4.17Å; W127-R467 HydrophobicContact CG-CG 4.22Å; W127-T468 HydrophobicContact CE3-CG2 3.73Å; W127-T468 HydrophobicContact CZ3-CG2 4.05Å
128	L	91.8	Very high	88.8	Confident	65 Å²	65	61.4 Å²	61.4	34%	0.34	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-46.4	-176.9	-173.1	67.7	0	0	0	111.9	Y122 V124 N130 D131 T132 F474	Y122-L128 HydrophobicContact CE1-CB 4.23Å; Y122-L128 HydrophobicContact CE1-CD1 4.36Å; Y122-L128 VanDerWaalsContact OH-CA 3.24Å; Y122-L128 WeakPolarHBondContact OH-CA 3.36Å; Y122-L128 PolarHBondContact OH-N 3.28Å; V124-L128 HydrophobicContact CG1-CB 4.26Å; V124-L128 HydrophobicContact CG1-CD2 3.93Å; V124-L128 WeakPolarHBondContact O-CB 3.28Å; V124-L128 PolarHBondContact O-N 3.36Å; L128-N130 PolarHBondContact O-N 3.14Å; L128-D131 PolarHBondContact O-N 2.95Å; L128-T132 VanDerWaalsContact O-CB 3.25Å; L128-T132 WeakPolarHBondContact O-CB 3Å; L128-T132 PolarHBondContact O-N 3.3Å; L128-T132 PolarHBondContact O-OG1 3.36Å; L128-F474 HydrophobicContact CD1-CE2 4.2Å; L128-F474 HydrophobicContact CD1-CZ 3.99Å
129	V	91	Very high	89.3	Confident	88 Å²	88	60.9 Å²	60.9	53%	0.533	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-45.8	179.5	177.9	0	0	0	0	110.9	W127 T132 I133	W127-V129 PolarHBondContact O-N 2.73Å; V129-T132 PolarHBondContact O-N 2.97Å; V129-I133 HydrophobicContact CG1-CD1 3.85Å; V129-I133 VanDerWaalsContact O-CG1 3.31Å; V129-I133 WeakPolarHBondContact O-CG1 3.46Å; V129-I133 PolarHBondContact O-N 3.02Å
130	N	89.7	Confident	89.6	Confident	34 Å²	34	58.9 Å²	58.9	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-44.5	179.4	-71.3	-31.5	0	0	0	112.1	S126 W127 L128 T132 I133 A134 F345 G465	S126-N130 PolarHBondContact O-ND2 2.88Å; W127-N130 PolarHBondContact O-N 3.34Å; L128-N130 PolarHBondContact O-N 3.14Å; N130-T132 VanDerWaalsContact C-N 3.33Å; N130-I133 PolarHBondContact O-N 3.23Å; N130-A134 WeakPolarHBondContact O-CB 3.44Å; N130-A134 PolarHBondContact O-N 3.33Å; N130-F345 WeakPolarHBondContact OD1-CZ 3.23Å; N130-G465 WeakPolarHBondContact CB-O 3.37Å
131	D	93.1	Very high	89.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.4	-32	178.1	-73.6	-16.4	0	0	0	111.8	Y122 W127 L128 G135 R467 T468 A471	Y122-D131 VanDerWaalsContact CE2-OD2 3.24Å; Y122-D131 WeakPolarHBondContact CE2-OD2 3.39Å; Y122-D131 PolarHBondContact OH-OD2 2.81Å; W127-D131 WeakPolarHBondContact O-CB 3.47Å; W127-D131 PolarHBondContact O-N 2.96Å; L128-D131 PolarHBondContact O-N 2.95Å; D131-G135 WeakPolarHBondContact O-CA 3.47Å; D131-G135 PolarHBondContact O-N 2.85Å; D131-R467 PolarHBondContact OD1-N 3.18Å; D131-T468 PolarHBondContact OD1-N 3.4Å; D131-T468 PolarHBondContact OD2-OG1 3.28Å; D131-A471 HydrophobicContact CB-CB 4.08Å; D131-A471 WeakPolarHBondContact O-CA 3.3Å; D131-A471 VanDerWaalsContact O-CB 3.23Å; D131-A471 WeakPolarHBondContact O-CB 3.48Å
132	T	93.4	Very high	90.4	Very high	36 Å²	36	48.6 Å²	48.6	22%	0.221	24%	0.238	C	C	.	.	H	α-helix	trans	-65.8	-51.2	174	-57.5	0	0	0	0	110.3	L128 V129 N130 G135 F136 F474	L128-T132 VanDerWaalsContact O-CB 3.25Å; L128-T132 WeakPolarHBondContact O-CB 3Å; L128-T132 PolarHBondContact O-N 3.3Å; L128-T132 PolarHBondContact O-OG1 3.36Å; V129-T132 PolarHBondContact O-N 2.97Å; N130-T132 VanDerWaalsContact C-N 3.33Å; T132-G135 PolarHBondContact O-N 3.11Å; T132-F136 HydrophobicContact CG2-CD2 3.76Å; T132-F136 HydrophobicContact CG2-CE2 3.69Å; T132-F136 VanDerWaalsContact O-CD2 3.28Å; T132-F136 WeakPolarHBondContact O-CD2 3.35Å; T132-F136 PolarHBondContact O-N 3.28Å; T132-F474 HydrophobicContact CG2-CD1 4.09Å; T132-F474 HydrophobicContact CG2-CE1 4.06Å; T132-F474 HydrophobicContact CG2-CG 4.43Å; T132-F474 HydrophobicContact CG2-CZ 4.38Å; T132-F474 WeakPolarHBondContact OG1-CE2 3.3Å; T132-F474 VanDerWaalsContact OG1-CZ 3.28Å; T132-F474 WeakPolarHBondContact OG1-CZ 3.35Å
133	I	90.9	Very high	90.6	Very high	34 Å²	34	47.5 Å²	47.5	17%	0.174	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-48.2	178.5	-68.3	167.8	0	0	0	110.4	V129 N130 G135 T137 F345 I346	V129-I133 HydrophobicContact CG1-CD1 3.85Å; V129-I133 VanDerWaalsContact O-CG1 3.31Å; V129-I133 WeakPolarHBondContact O-CG1 3.46Å; V129-I133 PolarHBondContact O-N 3.02Å; N130-I133 PolarHBondContact O-N 3.23Å; I133-G135 VanDerWaalsContact C-N 3.34Å; I133-G135 PolarHBondContact O-N 3.04Å; I133-T137 VanDerWaalsContact O-CB 3.27Å; I133-T137 WeakPolarHBondContact O-CB 3.49Å; I133-T137 PolarHBondContact O-N 2.98Å; I133-T137 PolarHBondContact O-OG1 3.22Å; I133-F345 HydrophobicContact CD1-CD1 4.06Å; I133-F345 HydrophobicContact CD1-CE1 3.71Å; I133-I346 HydrophobicContact CG2-CD1 4.4Å; I133-I346 HydrophobicContact CG2-CG1 3.93Å; I133-I346 HydrophobicContact CG2-CG2 4.35Å
134	A	91.5	Very high	90.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-40.7	178.3	0	0	0	0	0	111.8	N130 T137 V138 Y461 A464	N130-A134 WeakPolarHBondContact O-CB 3.44Å; N130-A134 PolarHBondContact O-N 3.33Å; A134-T137 PolarHBondContact O-N 3.24Å; A134-V138 WeakPolarHBondContact O-CB 3.49Å; A134-V138 WeakPolarHBondContact O-CG2 3.41Å; A134-V138 PolarHBondContact O-N 2.87Å; A134-Y461 HydrophobicContact CB-CD2 3.87Å; A134-Y461 HydrophobicContact CB-CE2 4Å; A134-A464 HydrophobicContact CB-CB 3.84Å
135	G	94.2	Very high	91.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-48.5	179.1	0	0	0	0	0	113	D131 T132 I133 V138 G139 A471 S475	D131-G135 WeakPolarHBondContact O-CA 3.47Å; D131-G135 PolarHBondContact O-N 2.85Å; T132-G135 PolarHBondContact O-N 3.11Å; I133-G135 VanDerWaalsContact C-N 3.34Å; I133-G135 PolarHBondContact O-N 3.04Å; G135-V138 PolarHBondContact O-N 2.9Å; G135-G139 PolarHBondContact O-N 3.39Å; G135-A471 WeakPolarHBondContact CA-O 3.22Å; G135-S475 WeakPolarHBondContact O-CA 3.46Å; G135-S475 VanDerWaalsContact O-CB 3.23Å; G135-S475 WeakPolarHBondContact O-CB 3.3Å
136	F	93.6	Very high	91.4	Very high	72 Å²	72	25.5 Å²	25.5	32%	0.316	14%	0.137	S	C	.	.	H	α-helix	trans	-64.1	-41.1	173.7	-79.3	-62.8	0	0	0	112	T132 V138 G139 I140 F474 L477 L478	T132-F136 HydrophobicContact CG2-CD2 3.76Å; T132-F136 HydrophobicContact CG2-CE2 3.69Å; T132-F136 VanDerWaalsContact O-CD2 3.28Å; T132-F136 WeakPolarHBondContact O-CD2 3.35Å; T132-F136 PolarHBondContact O-N 3.28Å; F136-V138 VanDerWaalsContact C-N 3.34Å; F136-V138 PolarHBondContact O-N 2.84Å; F136-G139 PolarHBondContact O-N 2.76Å; F136-I140 VanDerWaalsContact O-CG1 3.26Å; F136-I140 WeakPolarHBondContact O-CG1 3.44Å; F136-I140 PolarHBondContact O-N 3.34Å; F136-F474 HydrophobicContact CE2-CB 4.48Å; F136-F474 HydrophobicContact CE2-CD1 4.09Å; F136-F474 HydrophobicContact CZ-CD1 4.41Å; F136-L477 HydrophobicContact CZ-CD2 4.32Å; F136-L478 HydrophobicContact CD1-CB 4Å; F136-L478 HydrophobicContact CD1-CD1 4.09Å; F136-L478 HydrophobicContact CD1-CG 4.45Å; F136-L478 HydrophobicContact CE1-CB 4.15Å; F136-L478 HydrophobicContact CE1-CD1 4.3Å
137	T	90.6	Very high	91.8	Very high	13 Å²	13	22.9 Å²	22.9	8%	0.08	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-47	176.4	-60.1	0	0	0	0	111.6	I133 A134 I140 M141 P347 V460 A464	I133-T137 VanDerWaalsContact O-CB 3.27Å; I133-T137 WeakPolarHBondContact O-CB 3.49Å; I133-T137 PolarHBondContact O-N 2.98Å; I133-T137 PolarHBondContact O-OG1 3.22Å; A134-T137 PolarHBondContact O-N 3.24Å; T137-I140 PolarHBondContact O-N 3.26Å; T137-M141 PolarHBondContact O-N 3.36Å; T137-P347 HydrophobicContact CG2-CG 3.54Å; T137-V460 HydrophobicContact CG2-CG1 3.6Å; T137-A464 HydrophobicContact CG2-CB 4.39Å
138	V	91.9	Very high	92	Very high	5 Å²	5	20 Å²	20	3%	0.03	11%	0.108	C	C	.	.	H	α-helix	trans	-69.6	-39.8	178.8	173	0	0	0	0	111	A134 G135 F136 I140 M141 H142 R457 Y461	A134-V138 WeakPolarHBondContact O-CB 3.49Å; A134-V138 WeakPolarHBondContact O-CG2 3.41Å; A134-V138 PolarHBondContact O-N 2.87Å; G135-V138 PolarHBondContact O-N 2.9Å; F136-V138 VanDerWaalsContact C-N 3.34Å; F136-V138 PolarHBondContact O-N 2.84Å; V138-I140 VanDerWaalsContact C-N 3.27Å; V138-I140 PolarHBondContact O-N 3.09Å; V138-M141 WeakPolarHBondContact O-CB 3.21Å; V138-M141 PolarHBondContact O-N 3.11Å; V138-H142 PolarHBondContact O-CD2 3.42Å; V138-H142 VanDerWaalsContact O-CD2 3.24Å; V138-H142 PolarHBondContact O-N 3.46Å; V138-R457 HydrophobicContact CG1-CB 4.37Å; V138-Y461 HydrophobicContact CG2-CD2 4.2Å; V138-Y461 HydrophobicContact CG2-CG 4.37Å
139	G	93.1	Very high	92.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.8	-41.7	173.5	0	0	0	0	0	112	G135 F136 M141 H142 V143	G135-G139 PolarHBondContact O-N 3.39Å; F136-G139 PolarHBondContact O-N 2.76Å; G139-M141 VanDerWaalsContact C-N 3.3Å; G139-M141 PolarHBondContact O-N 2.95Å; G139-H142 WeakPolarHBondContact O-CB 3.39Å; G139-H142 PolarHBondContact O-N 3.04Å; G139-H142 VanDerWaalsContact O-N 3.14Å; G139-V143 PolarHBondContact O-N 2.68Å
140	I	91.5	Very high	92.3	Very high	38 Å²	38	13.1 Å²	13.1	20%	0.195	7%	0.068	C	C	.	.	H	α-helix	trans	-62.4	-39.6	175.9	-68.7	163.7	0	0	0	110.8	F136 T137 V138 H142 V143 P144 P349 L352 L478	F136-I140 VanDerWaalsContact O-CG1 3.26Å; F136-I140 WeakPolarHBondContact O-CG1 3.44Å; F136-I140 PolarHBondContact O-N 3.34Å; T137-I140 PolarHBondContact O-N 3.26Å; V138-I140 VanDerWaalsContact C-N 3.27Å; V138-I140 PolarHBondContact O-N 3.09Å; I140-H142 VanDerWaalsContact C-N 3.34Å; I140-V143 PolarHBondContact O-N 2.91Å; I140-P144 WeakPolarHBondContact O-CD 3.5Å; I140-P349 HydrophobicContact CB-CB 4.35Å; I140-P349 HydrophobicContact CD1-CB 4.34Å; I140-P349 HydrophobicContact CD1-CG 4.32Å; I140-P349 HydrophobicContact CG2-CB 3.41Å; I140-P349 VanDerWaalsContact CG2-CB 3.41Å; I140-P349 HydrophobicContact CG2-CG 4.25Å; I140-L352 HydrophobicContact CG1-CD2 4.42Å; I140-L352 HydrophobicContact CG2-CB 3.53Å; I140-L352 HydrophobicContact CG2-CD2 3.56Å; I140-L352 HydrophobicContact CG2-CG 4.12Å; I140-L478 HydrophobicContact CB-CD2 4.39Å; I140-L478 HydrophobicContact CG1-CD2 3.66Å; I140-L478 VanDerWaalsContact N-CD2 3.35Å
141	M	89.9	Confident	92.4	Very high	22 Å²	22	13.2 Å²	13.2	11%	0.108	7%	0.068	C	C	.	.	H	α-helix	trans	-67.9	-32.1	174.9	-67.3	-175.9	71.3	0	0	113.2	T137 V138 G139 V143 Q145 V460	T137-M141 PolarHBondContact O-N 3.36Å; V138-M141 WeakPolarHBondContact O-CB 3.21Å; V138-M141 PolarHBondContact O-N 3.11Å; G139-M141 VanDerWaalsContact C-N 3.3Å; G139-M141 PolarHBondContact O-N 2.95Å; M141-V143 PolarHBondContact O-N 3.23Å; M141-Q145 VanDerWaalsContact CE-NE2 3.27Å; M141-Q145 VanDerWaalsContact O-CB 3.26Å; M141-Q145 WeakPolarHBondContact O-CB 3.42Å; M141-Q145 WeakPolarHBondContact O-CG 3.38Å; M141-Q145 PolarHBondContact O-N 3.32Å; M141-V460 HydrophobicContact CE-CB 4.43Å; M141-V460 HydrophobicContact CE-CG2 3.92Å; M141-V460 HydrophobicContact SD-CB 3.5Å; M141-V460 WeakPolarHBondContact SD-CB 3.36Å; M141-V460 HydrophobicContact SD-CG1 3.53Å; M141-V460 VanDerWaalsContact SD-CG1 3.53Å; M141-V460 HydrophobicContact SD-CG2 3.51Å; M141-V460 VanDerWaalsContact SD-CG2 3.51Å
142	H	92.8	Very high	92.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.8	-31	177.2	-87.4	-77.9	0	0	0	112.7	V138 G139 I140 G146 S164 S181 I182 R457 L479	V138-H142 PolarHBondContact O-CD2 3.42Å; V138-H142 VanDerWaalsContact O-CD2 3.24Å; V138-H142 PolarHBondContact O-N 3.46Å; G139-H142 WeakPolarHBondContact O-CB 3.39Å; G139-H142 PolarHBondContact O-N 3.04Å; G139-H142 VanDerWaalsContact O-N 3.14Å; I140-H142 VanDerWaalsContact C-N 3.34Å; H142-G146 WeakPolarHBondContact O-CA 3.32Å; H142-G146 PolarHBondContact O-N 2.99Å; H142-S164 WeakPolarHBondContact ND1-CB 3.46Å; H142-S164 PolarHBondContact ND1-OG 3.5Å; H142-S164 VanDerWaalsContact ND1-OG 3.07Å; H142-S181 PolarHBondContact NE2-OG 3.42Å; H142-I182 PolarHBondContact CE1-O 3.37Å; H142-I182 VanDerWaalsContact CE1-O 3.26Å; H142-R457 VanDerWaalsContact CE1-CZ 3.41Å; H142-R457 PolarHBondContact CE1-NE 3.35Å; H142-R457 PolarHBondContact CE1-NH1 3.24Å; H142-R457 VanDerWaalsContact CE1-NH1 3.32Å; H142-R457 PolarHBondContact ND1-NH1 2.96Å; H142-L479 HydrophobicContact CB-CD1 3.94Å; H142-L479 HydrophobicContact CB-CD2 3.84Å; H142-L479 HydrophobicContact CB-CG 4.3Å
143	V	91.9	Very high	92.3	Very high	8 Å²	8	11.5 Å²	11.5	5%	0.048	6%	0.058	C	C	.	.	H	α-helix	trans	-66.9	-63.7	-176.8	178.6	0	0	0	0	111.2	G139 I140 M141 M147 L161 L479 V482	G139-V143 PolarHBondContact O-N 2.68Å; I140-V143 PolarHBondContact O-N 2.91Å; M141-V143 PolarHBondContact O-N 3.23Å; V143-M147 HydrophobicContact CG1-SD 4.47Å; V143-M147 VanDerWaalsContact O-CG 3.32Å; V143-M147 WeakPolarHBondContact O-CG 3.16Å; V143-M147 PolarHBondContact O-N 3.48Å; V143-L161 HydrophobicContact CB-CD2 4.4Å; V143-L161 HydrophobicContact CG1-CD2 4.26Å; V143-L479 HydrophobicContact CG2-CD2 3.77Å; V143-V482 HydrophobicContact CG1-CG1 3.96Å; V143-V482 HydrophobicContact CG2-CB 4.2Å; V143-V482 HydrophobicContact CG2-CG1 3.86Å; V143-V482 HydrophobicContact CG2-CG2 3.69Å
144	P	90.8	Very high	92.3	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-67	-43.4	-179.8	-20.3	34.2	0	0	0	112.9	I140 M147 A148 D351 L352 V355 I501	I140-P144 WeakPolarHBondContact O-CD 3.5Å; P144-M147 PolarHBondContact O-N 3.19Å; P144-A148 VanDerWaalsContact O-CB 3.28Å; P144-A148 WeakPolarHBondContact O-CB 3.36Å; P144-A148 PolarHBondContact O-N 2.87Å; P144-D351 HydrophobicContact CB-CB 4.46Å; P144-D351 HydrophobicContact CG-CB 4.26Å; P144-D351 WeakPolarHBondContact CG-O 3.46Å; P144-L352 HydrophobicContact CG-CB 4.48Å; P144-V355 HydrophobicContact CB-CG2 3.91Å; P144-V355 HydrophobicContact CG-CG2 4.05Å; P144-I501 HydrophobicContact CB-CD1 3.59Å
145	Q	92.4	Very high	92.4	Very high	3 Å²	3	10.9 Å²	10.9	1%	0.014	6%	0.055	C	C	.	.	H	α-helix	trans	-70.1	-35.7	-177.3	-61.8	-168.1	-1.5	0	0	111.6	M141 A148 Y149 D351 S456 I501	M141-Q145 VanDerWaalsContact CE-NE2 3.27Å; M141-Q145 VanDerWaalsContact O-CB 3.26Å; M141-Q145 WeakPolarHBondContact O-CB 3.42Å; M141-Q145 WeakPolarHBondContact O-CG 3.38Å; M141-Q145 PolarHBondContact O-N 3.32Å; Q145-A148 PolarHBondContact O-N 3.01Å; Q145-Y149 HydrophobicContact CB-CD2 4.28Å; Q145-Y149 HydrophobicContact CB-CE2 4.2Å; Q145-Y149 WeakPolarHBondContact O-CB 3.28Å; Q145-Y149 WeakPolarHBondContact O-CD2 3.07Å; Q145-Y149 PolarHBondContact O-N 3.43Å; Q145-D351 PolarHBondContact NE2-OD2 2.91Å; Q145-S456 PolarHBondContact OE1-OG 3.34Å; Q145-I501 HydrophobicContact CG-CG2 4.05Å
146	G	93	Very high	92.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.6	-54.9	173.9	0	0	0	0	0	111.4	H142 A148 Y149 A150 G160 T184	H142-G146 WeakPolarHBondContact O-CA 3.32Å; H142-G146 PolarHBondContact O-N 2.99Å; G146-A148 VanDerWaalsContact C-N 3.33Å; G146-A148 PolarHBondContact O-N 2.69Å; G146-Y149 PolarHBondContact O-N 3.05Å; G146-A150 PolarHBondContact O-N 3.27Å; G146-G160 VanDerWaalsContact O-CA 3.31Å; G146-G160 WeakPolarHBondContact O-CA 3.44Å; G146-T184 WeakPolarHBondContact CA-OG1 3.31Å
147	M	91.9	Very high	92	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-56.9	-45.7	177.3	-72.8	179.3	75	0	0	112.6	V143 P144 A150 L151 P157 L161 V376 I379 L490 L498	V143-M147 HydrophobicContact CG1-SD 4.47Å; V143-M147 VanDerWaalsContact O-CG 3.32Å; V143-M147 WeakPolarHBondContact O-CG 3.16Å; V143-M147 PolarHBondContact O-N 3.48Å; P144-M147 PolarHBondContact O-N 3.19Å; M147-A150 PolarHBondContact O-N 3.33Å; M147-L151 PolarHBondContact O-N 3.33Å; M147-P157 HydrophobicContact CB-CB 3.85Å; M147-P157 HydrophobicContact CE-CB 3.73Å; M147-P157 HydrophobicContact CG-CB 3.88Å; M147-L161 HydrophobicContact CG-CD1 4.4Å; M147-L161 HydrophobicContact CG-CD2 3.96Å; M147-L161 HydrophobicContact CG-CG 4.07Å; M147-V376 HydrophobicContact CE-CG1 4.36Å; M147-V376 HydrophobicContact CE-CG2 4.25Å; M147-I379 HydrophobicContact CE-CD1 4.18Å; M147-L490 HydrophobicContact CE-CB 3.96Å; M147-L490 HydrophobicContact CE-CD1 4.02Å; M147-L490 HydrophobicContact CE-CD2 3.98Å; M147-L490 HydrophobicContact CE-CG 4.19Å; M147-L490 HydrophobicContact SD-CD1 3.83Å; M147-L490 HydrophobicContact SD-CD2 3.73Å; M147-L490 HydrophobicContact SD-CG 4.28Å; M147-L498 HydrophobicContact CB-CD1 4.28Å; M147-L498 HydrophobicContact CB-CD2 4.2Å
148	A	93.3	Very high	92	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.9	-45.4	-178.7	0	0	0	0	0	111.5	P144 Q145 G146 A150 L151 V152 L498 I502	P144-A148 VanDerWaalsContact O-CB 3.28Å; P144-A148 WeakPolarHBondContact O-CB 3.36Å; P144-A148 PolarHBondContact O-N 2.87Å; Q145-A148 PolarHBondContact O-N 3.01Å; G146-A148 VanDerWaalsContact C-N 3.33Å; G146-A148 PolarHBondContact O-N 2.69Å; A148-A150 VanDerWaalsContact C-N 3.31Å; A148-A150 PolarHBondContact O-N 3.08Å; A148-L151 WeakPolarHBondContact O-CB 3.27Å; A148-L151 PolarHBondContact O-N 3.3Å; A148-L151 VanDerWaalsContact O-N 3.13Å; A148-V152 PolarHBondContact O-N 3.2Å; A148-L498 HydrophobicContact CB-CB 3.83Å; A148-L498 HydrophobicContact CB-CD2 4.31Å; A148-I502 HydrophobicContact CB-CD1 3.5Å; A148-I502 VanDerWaalsContact CB-CD1 3.5Å; A148-I502 HydrophobicContact CB-CG1 3.57Å; A148-I502 WeakPolarHBondContact O-CD1 3.45Å
149	Y	94	Very high	92.1	Very high	8 Å²	8	10.9 Å²	10.9	3%	0.031	6%	0.06	C	C	.	.	H	α-helix	trans	-67.5	-28.7	179	-76.8	-50.3	0	0	0	113.4	Q145 G146 L151 V152 A153 A186 S189 I502	Q145-Y149 HydrophobicContact CB-CD2 4.28Å; Q145-Y149 HydrophobicContact CB-CE2 4.2Å; Q145-Y149 WeakPolarHBondContact O-CB 3.28Å; Q145-Y149 WeakPolarHBondContact O-CD2 3.07Å; Q145-Y149 PolarHBondContact O-N 3.43Å; G146-Y149 PolarHBondContact O-N 3.05Å; Y149-L151 VanDerWaalsContact C-N 3.31Å; Y149-L151 PolarHBondContact O-N 3.05Å; Y149-V152 HydrophobicContact CD1-CG2 4.22Å; Y149-V152 WeakPolarHBondContact O-CB 3.23Å; Y149-V152 PolarHBondContact O-N 2.88Å; Y149-V152 VanDerWaalsContact O-N 3.14Å; Y149-A153 PolarHBondContact O-N 3.38Å; Y149-A186 HydrophobicContact CD1-CB 4.26Å; Y149-A186 HydrophobicContact CE1-CB 3.43Å; Y149-A186 VanDerWaalsContact CE1-CB 3.43Å; Y149-S189 WeakPolarHBondContact O-CB 3.19Å; Y149-I502 HydrophobicContact CE1-CG1 4.45Å
150	A	94.8	Very high	92.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.9	-38.9	170.3	0	0	0	0	0	112.4	G146 M147 A148 V152 A153 T154 L155 Y449	G146-A150 PolarHBondContact O-N 3.27Å; M147-A150 PolarHBondContact O-N 3.33Å; A148-A150 VanDerWaalsContact C-N 3.31Å; A148-A150 PolarHBondContact O-N 3.08Å; A150-V152 VanDerWaalsContact C-N 3.28Å; A150-V152 PolarHBondContact O-N 3.22Å; A150-A153 CarbonylContact O-C 3.47Å; A150-A153 VanDerWaalsContact O-C 3.28Å; A150-A153 WeakPolarHBondContact O-CA 3.39Å; A150-A153 WeakPolarHBondContact O-CB 3Å; A150-A153 PolarHBondContact O-N 2.94Å; A150-T154 PolarHBondContact O-N 3.33Å; A150-T154 VanDerWaalsContact O-N 3.09Å; A150-L155 CarbonylContact C-O 3.56Å; A150-L155 PolarHBondContact O-N 3.14Å; A150-L155 VanDerWaalsContact O-O 3.12Å; A150-Y449 HydrophobicContact CB-CE1 4.35Å
151	L	91.7	Very high	92.1	Very high	36 Å²	36	9.2 Å²	9.2	19%	0.188	5%	0.051	C	C	.	.	H	α-helix	trans	-64.5	-32.8	173.5	-63.7	177.3	0	0	0	112.3	M147 A148 Y149 A153 T154 P157 R293 I495 L498	M147-L151 PolarHBondContact O-N 3.33Å; A148-L151 WeakPolarHBondContact O-CB 3.27Å; A148-L151 PolarHBondContact O-N 3.3Å; A148-L151 VanDerWaalsContact O-N 3.13Å; Y149-L151 VanDerWaalsContact C-N 3.31Å; Y149-L151 PolarHBondContact O-N 3.05Å; L151-A153 VanDerWaalsContact C-N 3.33Å; L151-T154 PolarHBondContact O-N 2.96Å; L151-P157 HydrophobicContact CD1-CG 4.41Å; L151-P157 HydrophobicContact CD2-CG 3.7Å; L151-P157 HydrophobicContact CG-CG 3.97Å; L151-R293 PolarHBondContact O-NH2 2.99Å; L151-I495 HydrophobicContact CD1-CG1 4.46Å; L151-I495 HydrophobicContact CD1-CG2 3.98Å; L151-L498 HydrophobicContact CD1-CB 4.39Å; L151-L498 HydrophobicContact CD1-CD1 3.67Å
152	V	91.4	Very high	92.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.7	-45	170.9	-176.5	0	0	0	0	109.9	A148 Y149 A150 T154 L190 R293 I502	A148-V152 PolarHBondContact O-N 3.2Å; Y149-V152 HydrophobicContact CD1-CG2 4.22Å; Y149-V152 WeakPolarHBondContact O-CB 3.23Å; Y149-V152 PolarHBondContact O-N 2.88Å; Y149-V152 VanDerWaalsContact O-N 3.14Å; A150-V152 VanDerWaalsContact C-N 3.28Å; A150-V152 PolarHBondContact O-N 3.22Å; V152-T154 PolarHBondContact O-N 3.24Å; V152-T154 VanDerWaalsContact O-N 3.13Å; V152-L190 HydrophobicContact CG1-CB 4.17Å; V152-L190 HydrophobicContact CG1-CD1 4.31Å; V152-R293 PolarHBondContact O-NH1 3.45Å; V152-R293 PolarHBondContact O-NH2 3.13Å; V152-I502 HydrophobicContact CG2-CD1 3.58Å
153	A	93.5	Very high	92.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	6.7	174.7	0	0	0	0	0	114.7	Y149 A150 L151 L155 S189 T192 L196 Y449	Y149-A153 PolarHBondContact O-N 3.38Å; A150-A153 CarbonylContact O-C 3.47Å; A150-A153 VanDerWaalsContact O-C 3.28Å; A150-A153 WeakPolarHBondContact O-CA 3.39Å; A150-A153 WeakPolarHBondContact O-CB 3Å; A150-A153 PolarHBondContact O-N 2.94Å; L151-A153 VanDerWaalsContact C-N 3.33Å; A153-L155 HydrophobicContact CB-CD1 4.38Å; A153-L155 PolarHBondContact O-N 3.39Å; A153-S189 WeakPolarHBondContact CA-O 3.26Å; A153-S189 WeakPolarHBondContact CB-O 3.31Å; A153-T192 HydrophobicContact CB-CG2 4.19Å; A153-L196 WeakPolarHBondContact O-CD1 3.36Å; A153-Y449 HydrophobicContact CB-CE2 4.1Å
154	T	91.5	Very high	92.7	Very high	17 Å²	17	7.9 Å²	7.9	10%	0.104	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	18.4	-177.4	67.4	0	0	0	0	115.7	A150 L151 V152 D197 R232	A150-T154 PolarHBondContact O-N 3.33Å; A150-T154 VanDerWaalsContact O-N 3.09Å; L151-T154 PolarHBondContact O-N 2.96Å; V152-T154 PolarHBondContact O-N 3.24Å; V152-T154 VanDerWaalsContact O-N 3.13Å; T154-D197 WeakPolarHBondContact CG2-OD2 3.29Å; T154-R232 WeakPolarHBondContact O-CD 3.49Å; T154-R232 PolarHBondContact O-NH1 3Å; T154-R232 VanDerWaalsContact O-NH1 3.08Å
155	L	92.8	Very high	92.9	Very high	4 Å²	4	8.2 Å²	8.2	2%	0.021	5%	0.046	C	C	.	.	S	Bend	trans	-103.7	154.1	179	-66.9	170.8	0	0	0	110.7	A150 A153 Y159 L196 R232 I233 A236 Y449	A150-L155 CarbonylContact C-O 3.56Å; A150-L155 PolarHBondContact O-N 3.14Å; A150-L155 VanDerWaalsContact O-O 3.12Å; A153-L155 HydrophobicContact CB-CD1 4.38Å; A153-L155 PolarHBondContact O-N 3.39Å; L155-Y159 HydrophobicContact CB-CD2 4.46Å; L155-Y159 HydrophobicContact CB-CG 4.44Å; L155-L196 HydrophobicContact CD1-CD1 4.45Å; L155-L196 HydrophobicContact CD2-CD1 4.06Å; L155-L196 HydrophobicContact CG-CD1 4.1Å; L155-R232 HydrophobicContact CD2-CG 4.18Å; L155-I233 HydrophobicContact CD2-CG1 4.28Å; L155-A236 HydrophobicContact CD1-CB 3.84Å; L155-A236 HydrophobicContact CD2-CB 3.97Å; L155-A236 HydrophobicContact CG-CB 4.45Å; L155-Y449 HydrophobicContact CD1-CD1 3.59Å; L155-Y449 HydrophobicContact CD1-CE1 4.29Å; L155-Y449 HydrophobicContact CD1-CG 3.89Å
156	P	90.5	Very high	93.1	Very high	58 Å²	58	8.7 Å²	8.7	38%	0.377	5%	0.048	S	C	.	.			trans	-54.7	144	169.8	-24.1	32.9	0	0	0	111.2	V158 Y159	P156-V158 PolarHBondContact O-N 3.37Å; P156-Y159 HydrophobicContact CB-CD2 3.88Å; P156-Y159 HydrophobicContact CB-CE2 4.08Å; P156-Y159 HydrophobicContact CG-CD2 3.99Å; P156-Y159 HydrophobicContact CG-CE2 3.88Å; P156-Y159 WeakPolarHBondContact O-CD2 3.33Å; P156-Y159 PolarHBondContact O-N 2.98Å; P156-Y159 VanDerWaalsContact O-N 3.08Å
157	P	89.9	Confident	93.2	Very high	5 Å²	5	8.7 Å²	8.7	3%	0.032	5%	0.048	C	C	.	.	H	α-helix	trans	-53.9	-26.5	-175.3	-35.8	42.8	0	0	0	116.4	M147 L151 Y159 G160 L161 V376	M147-P157 HydrophobicContact CB-CB 3.85Å; M147-P157 HydrophobicContact CE-CB 3.73Å; M147-P157 HydrophobicContact CG-CB 3.88Å; L151-P157 HydrophobicContact CD1-CG 4.41Å; L151-P157 HydrophobicContact CD2-CG 3.7Å; L151-P157 HydrophobicContact CG-CG 3.97Å; P157-Y159 VanDerWaalsContact C-N 3.29Å; P157-Y159 PolarHBondContact O-N 2.75Å; P157-G160 PolarHBondContact O-N 3.13Å; P157-L161 PolarHBondContact O-N 3.47Å; P157-V376 HydrophobicContact CB-CG1 4.08Å; P157-V376 HydrophobicContact CG-CB 4.44Å; P157-V376 HydrophobicContact CG-CG1 3.58Å; P157-V376 HydrophobicContact CG-CG2 4.11Å
158	V	90.4	Very high	93.4	Very high	8 Å²	8	8.9 Å²	8.9	5%	0.048	5%	0.049	C	C	.	.	H	α-helix	trans	-57.8	-40.8	177.9	-164.7	0	0	0	0	112.1	P156 G160 L161 Y162 I379	P156-V158 PolarHBondContact O-N 3.37Å; V158-G160 PolarHBondContact O-N 3.4Å; V158-L161 WeakPolarHBondContact O-CA 3.44Å; V158-L161 WeakPolarHBondContact O-CB 3.26Å; V158-L161 PolarHBondContact O-N 3.08Å; V158-Y162 HydrophobicContact CB-CE2 4.49Å; V158-Y162 HydrophobicContact CG1-CD2 4.26Å; V158-Y162 HydrophobicContact CG1-CE1 4.39Å; V158-Y162 HydrophobicContact CG1-CE2 3.58Å; V158-Y162 PolarHBondContact O-N 3.37Å; V158-I379 HydrophobicContact CG1-CG2 4.49Å; V158-I379 HydrophobicContact CG2-CB 3.84Å; V158-I379 HydrophobicContact CG2-CD1 4.45Å; V158-I379 HydrophobicContact CG2-CG1 3.65Å; V158-I379 HydrophobicContact CG2-CG2 3.4Å
159	Y	92.7	Very high	93.5	Very high	20 Å²	20	10.9 Å²	10.9	8%	0.078	6%	0.06	C	C	.	.	H	α-helix	trans	-63.4	-25.3	178.9	-67.5	-89.5	0	0	0	111.9	L155 P156 P157 Y162 T163 I233 H447	L155-Y159 HydrophobicContact CB-CD2 4.46Å; L155-Y159 HydrophobicContact CB-CG 4.44Å; P156-Y159 HydrophobicContact CB-CD2 3.88Å; P156-Y159 HydrophobicContact CB-CE2 4.08Å; P156-Y159 HydrophobicContact CG-CD2 3.99Å; P156-Y159 HydrophobicContact CG-CE2 3.88Å; P156-Y159 WeakPolarHBondContact O-CD2 3.33Å; P156-Y159 PolarHBondContact O-N 2.98Å; P156-Y159 VanDerWaalsContact O-N 3.08Å; P157-Y159 VanDerWaalsContact C-N 3.29Å; P157-Y159 PolarHBondContact O-N 2.75Å; Y159-Y162 HydrophobicContact CD1-CD2 4.46Å; Y159-T163 VanDerWaalsContact O-CB 3.23Å; Y159-T163 WeakPolarHBondContact O-CB 3.44Å; Y159-T163 PolarHBondContact O-N 3.34Å; Y159-T163 PolarHBondContact O-OG1 3.37Å; Y159-I233 HydrophobicContact CE1-CG1 4.32Å; Y159-I233 HydrophobicContact CE1-CG2 3.67Å; Y159-I233 HydrophobicContact CE2-CD1 3.99Å; Y159-I233 HydrophobicContact CE2-CG1 4.11Å; Y159-I233 VanDerWaalsContact OH-CD1 3.29Å; Y159-I233 WeakPolarHBondContact OH-CD1 3.41Å; Y159-H447 HydrophobicContact CD1-CB 4.11Å; Y159-H447 VanDerWaalsContact CD1-O 3.28Å; Y159-H447 WeakPolarHBondContact CD1-O 2.96Å; Y159-H447 HydrophobicContact CE1-CB 3.84Å; Y159-H447 AromaticContact CE1-CD2 3.97Å
160	G	93.5	Very high	93.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-72.7	-29.6	172.5	0	0	0	0	0	113.8	G146 P157 V158 S164 T184	G146-G160 VanDerWaalsContact O-CA 3.31Å; G146-G160 WeakPolarHBondContact O-CA 3.44Å; P157-G160 PolarHBondContact O-N 3.13Å; V158-G160 PolarHBondContact O-N 3.4Å; G160-S164 VanDerWaalsContact O-CB 3.29Å; G160-S164 WeakPolarHBondContact O-CB 3.43Å; G160-S164 PolarHBondContact O-N 2.9Å; G160-S164 VanDerWaalsContact O-N 3.08Å; G160-S164 PolarHBondContact O-OG 3Å; G160-T184 VanDerWaalsContact O-CG2 3.23Å; G160-T184 WeakPolarHBondContact O-CG2 3.1Å
161	L	92.3	Very high	93.5	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.016	7%	0.065	C	C	.	.	H	α-helix	trans	-74.1	-43.7	172.3	-60.6	178.9	0	0	0	110.6	V143 M147 P157 V158 T163 S164 F165 L479 V482 L483 L490	V143-L161 HydrophobicContact CB-CD2 4.4Å; V143-L161 HydrophobicContact CG1-CD2 4.26Å; M147-L161 HydrophobicContact CG-CD1 4.4Å; M147-L161 HydrophobicContact CG-CD2 3.96Å; M147-L161 HydrophobicContact CG-CG 4.07Å; P157-L161 PolarHBondContact O-N 3.47Å; V158-L161 WeakPolarHBondContact O-CA 3.44Å; V158-L161 WeakPolarHBondContact O-CB 3.26Å; V158-L161 PolarHBondContact O-N 3.08Å; L161-T163 PolarHBondContact O-N 3.48Å; L161-S164 WeakPolarHBondContact O-CB 3.17Å; L161-S164 PolarHBondContact O-N 2.96Å; L161-S164 VanDerWaalsContact O-N 3.08Å; L161-F165 WeakPolarHBondContact O-CB 3.27Å; L161-F165 PolarHBondContact O-N 3.05Å; L161-L479 HydrophobicContact CD2-CD2 4.48Å; L161-V482 HydrophobicContact CD1-CG1 4.47Å; L161-L483 HydrophobicContact CB-CD2 3.78Å; L161-L483 HydrophobicContact CB-CG 4.48Å; L161-L483 HydrophobicContact CD1-CD2 4.01Å; L161-L490 HydrophobicContact CD1-CD1 3.95Å
162	Y	94.3	Very high	93.6	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-59.7	-46	173.3	-62.3	-39	0	0	0	111.9	V158 Y159 S164 F165 F166 P167 G382 Q384 H447 L483	V158-Y162 HydrophobicContact CB-CE2 4.49Å; V158-Y162 HydrophobicContact CG1-CD2 4.26Å; V158-Y162 HydrophobicContact CG1-CE1 4.39Å; V158-Y162 HydrophobicContact CG1-CE2 3.58Å; V158-Y162 PolarHBondContact O-N 3.37Å; Y159-Y162 HydrophobicContact CD1-CD2 4.46Å; Y162-S164 PolarHBondContact O-N 3.4Å; Y162-F165 PolarHBondContact O-N 3.27Å; Y162-F165 VanDerWaalsContact O-N 3.1Å; Y162-F166 HydrophobicContact CD1-CE2 4.06Å; Y162-F166 PolarHBondContact O-N 3.47Å; Y162-P167 WeakPolarHBondContact O-CD 3.38Å; Y162-G382 PolarHBondContact OH-O 2.94Å; Y162-Q384 HydrophobicContact CE2-CG 4.48Å; Y162-H447 HydrophobicContact CD2-CB 3.78Å; Y162-H447 HydrophobicContact CE2-CB 4.2Å; Y162-L483 HydrophobicContact CD1-CD1 4.12Å; Y162-L483 HydrophobicContact CD1-CD2 4.13Å; Y162-L483 HydrophobicContact CE1-CD1 4.14Å; Y162-L483 HydrophobicContact CE1-CD2 3.76Å
163	T	96.1	Very high	93.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67.4	-18.2	176.6	-54.4	0	0	0	0	112.8	Y159 L161 P167 G183 T184 A448 Y449 A451	Y159-T163 VanDerWaalsContact O-CB 3.23Å; Y159-T163 WeakPolarHBondContact O-CB 3.44Å; Y159-T163 PolarHBondContact O-N 3.34Å; Y159-T163 PolarHBondContact O-OG1 3.37Å; L161-T163 PolarHBondContact O-N 3.48Å; T163-P167 VanDerWaalsContact O-CD 3.27Å; T163-P167 WeakPolarHBondContact O-CD 3.35Å; T163-P167 WeakPolarHBondContact O-CG 3.47Å; T163-G183 CarbonylContact O-C 3.53Å; T163-G183 WeakPolarHBondContact O-CA 3.48Å; T163-T184 HydrophobicContact CG2-CG2 3.9Å; T163-A448 WeakPolarHBondContact OG1-CA 3.3Å; T163-Y449 HydrophobicContact CG2-CD1 4.13Å; T163-Y449 HydrophobicContact CG2-CD2 4.25Å; T163-Y449 HydrophobicContact CG2-CE1 3.99Å; T163-Y449 HydrophobicContact CG2-CE2 4.12Å; T163-Y449 HydrophobicContact CG2-CG 4.26Å; T163-Y449 WeakPolarHBondContact CG2-O 3.23Å; T163-Y449 WeakPolarHBondContact OG1-CD1 3.46Å; T163-Y449 VanDerWaalsContact OG1-CE1 3.28Å; T163-Y449 WeakPolarHBondContact OG1-CE1 3.46Å; T163-Y449 PolarHBondContact OG1-N 3.44Å; T163-Y449 VanDerWaalsContact OG1-N 3.08Å; T163-A451 HydrophobicContact CG2-CB 3.93Å
164	S	95.2	Very high	93.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-85.4	-32.8	171	-74.5	0	0	0	0	113.1	H142 G160 L161 Y162 S168	H142-S164 WeakPolarHBondContact ND1-CB 3.46Å; H142-S164 PolarHBondContact ND1-OG 3.5Å; H142-S164 VanDerWaalsContact ND1-OG 3.07Å; G160-S164 VanDerWaalsContact O-CB 3.29Å; G160-S164 WeakPolarHBondContact O-CB 3.43Å; G160-S164 PolarHBondContact O-N 2.9Å; G160-S164 VanDerWaalsContact O-N 3.08Å; G160-S164 PolarHBondContact O-OG 3Å; L161-S164 WeakPolarHBondContact O-CB 3.17Å; L161-S164 PolarHBondContact O-N 2.96Å; L161-S164 VanDerWaalsContact O-N 3.08Å; Y162-S164 PolarHBondContact O-N 3.4Å; S164-S168 WeakPolarHBondContact O-CB 3.28Å; S164-S168 PolarHBondContact O-OG 3.19Å
165	F	95.5	Very high	93.5	Very high	8 Å²	8	15 Å²	15	4%	0.035	8%	0.077	C	C	.	.	H	α-helix	trans	-84.3	-64.6	-174.7	170.3	-112.3	0	0	0	112.7	L161 Y162 S168 L169 I383 C476 L479 I480	L161-F165 WeakPolarHBondContact O-CB 3.27Å; L161-F165 PolarHBondContact O-N 3.05Å; Y162-F165 PolarHBondContact O-N 3.27Å; Y162-F165 VanDerWaalsContact O-N 3.1Å; F165-S168 PolarHBondContact O-N 3.05Å; F165-L169 HydrophobicContact CE2-CD2 4.46Å; F165-L169 HydrophobicContact CZ-CD2 4.02Å; F165-L169 PolarHBondContact O-N 2.92Å; F165-I383 HydrophobicContact CE1-CD1 4.3Å; F165-C476 HydrophobicContact CD2-CB 3.82Å; F165-C476 HydrophobicContact CE2-CB 3.7Å; F165-L479 HydrophobicContact CB-CB 4.17Å; F165-L479 HydrophobicContact CB-CD1 4.04Å; F165-L479 HydrophobicContact CD2-CB 4.11Å; F165-I480 HydrophobicContact CD2-CG1 4.09Å; F165-I480 HydrophobicContact CE1-CG1 4.41Å; F165-I480 HydrophobicContact CE2-CD1 3.55Å; F165-I480 HydrophobicContact CE2-CG1 3.34Å; F165-I480 HydrophobicContact CZ-CD1 3.63Å; F165-I480 HydrophobicContact CZ-CG1 3.54Å
166	F	96	Very high	93.4	Very high	13 Å²	13	15.9 Å²	15.9	6%	0.057	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-45.9	-171.9	-68.6	-78.3	0	0	0	112.5	Y162 S168 L169 I170 I383 F446	Y162-F166 HydrophobicContact CD1-CE2 4.06Å; Y162-F166 PolarHBondContact O-N 3.47Å; F166-S168 VanDerWaalsContact C-N 3.3Å; F166-S168 PolarHBondContact O-N 2.89Å; F166-L169 PolarHBondContact O-N 3.17Å; F166-L169 VanDerWaalsContact O-N 3.16Å; F166-I170 WeakPolarHBondContact O-CG1 3.31Å; F166-I170 PolarHBondContact O-N 3.48Å; F166-I383 HydrophobicContact CE2-CG2 4.38Å; F166-I383 HydrophobicContact CZ-CG2 3.8Å; F166-F446 HydrophobicContact CD1-CB 3.77Å; F166-F446 HydrophobicContact CD1-CD1 4.19Å; F166-F446 HydrophobicContact CD1-CD2 4.02Å; F166-F446 AromaticContact CD1-CG 3.74Å; F166-F446 HydrophobicContact CD1-CG 3.74Å; F166-F446 HydrophobicContact CD2-CB 3.49Å; F166-F446 VanDerWaalsContact CD2-CB 3.49Å; F166-F446 HydrophobicContact CD2-CG 4.36Å; F166-F446 HydrophobicContact CE1-CB 3.6Å; F166-F446 AromaticContact CE1-CD1 3.41Å; F166-F446 HydrophobicContact CE1-CD1 3.41Å; F166-F446 VanDerWaalsContact CE1-CD1 3.41Å; F166-F446 HydrophobicContact CE1-CD2 4.07Å; F166-F446 HydrophobicContact CE1-CE1 4.04Å; F166-F446 AromaticContact CE1-CG 3.42Å; F166-F446 HydrophobicContact CE1-CG 3.42Å; F166-F446 VanDerWaalsContact CE1-CG 3.42Å; F166-F446 HydrophobicContact CE2-CB 3.33Å; F166-F446 HydrophobicContact CE2-CD1 4.37Å; F166-F446 HydrophobicContact CE2-CG 4.11Å; F166-F446 HydrophobicContact CG-CB 3.73Å; F166-F446 HydrophobicContact CG-CG 4.2Å; F166-F446 HydrophobicContact CZ-CB 3.38Å; F166-F446 AromaticContact CZ-CD1 3.54Å; F166-F446 HydrophobicContact CZ-CD1 3.54Å; F166-F446 HydrophobicContact CZ-CE1 4.48Å; F166-F446 AromaticContact CZ-CG 3.64Å; F166-F446 HydrophobicContact CZ-CG 3.64Å
167	P	96.5	Very high	93.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.4	-38.5	178.1	-30.3	40.6	0	0	0	113.7	Y162 T163 Y171 I182 T439 S443 A448 A451	Y162-P167 WeakPolarHBondContact O-CD 3.38Å; T163-P167 VanDerWaalsContact O-CD 3.27Å; T163-P167 WeakPolarHBondContact O-CD 3.35Å; T163-P167 WeakPolarHBondContact O-CG 3.47Å; P167-Y171 WeakPolarHBondContact O-CB 3.33Å; P167-Y171 PolarHBondContact O-N 3.2Å; P167-I182 HydrophobicContact CB-CG2 3.68Å; P167-T439 VanDerWaalsContact CA-CG2 3.41Å; P167-T439 HydrophobicContact CB-CG2 3.69Å; P167-T439 VanDerWaalsContact O-CG2 3.24Å; P167-T439 WeakPolarHBondContact O-CG2 3.32Å; P167-S443 WeakPolarHBondContact CA-OG 3.36Å; P167-A448 HydrophobicContact CG-CB 4.31Å; P167-A451 HydrophobicContact CB-CB 3.56Å; P167-A451 HydrophobicContact CG-CB 3.53Å
168	S	95.2	Very high	93.6	Very high	4 Å²	4	17 Å²	17	3%	0.028	8%	0.078	C	C	.	.	H	α-helix	trans	-63.5	-44.7	175.7	-63.4	0	0	0	0	111.9	S164 F165 F166 F172 I182	S164-S168 WeakPolarHBondContact O-CB 3.28Å; S164-S168 PolarHBondContact O-OG 3.19Å; F165-S168 PolarHBondContact O-N 3.05Å; F166-S168 VanDerWaalsContact C-N 3.3Å; F166-S168 PolarHBondContact O-N 2.89Å; S168-F172 PolarHBondContact O-N 3.41Å; S168-I182 PolarHBondContact OG-O 3.31Å
169	L	95.5	Very high	93.7	Very high	43 Å²	43	17 Å²	17	23%	0.225	8%	0.077	C	C	.	.	H	α-helix	trans	-65.5	-43.9	-178.9	-178.9	63	0	0	0	112.1	F165 F166 F172 F173 L473	F165-L169 HydrophobicContact CE2-CD2 4.46Å; F165-L169 HydrophobicContact CZ-CD2 4.02Å; F165-L169 PolarHBondContact O-N 2.92Å; F166-L169 PolarHBondContact O-N 3.17Å; F166-L169 VanDerWaalsContact O-N 3.16Å; L169-F172 WeakPolarHBondContact O-CB 3.4Å; L169-F173 HydrophobicContact CD1-CE2 4.4Å; L169-F173 VanDerWaalsContact O-CD2 3.23Å; L169-F173 WeakPolarHBondContact O-CD2 3.38Å; L169-F173 WeakPolarHBondContact O-CE2 3.1Å; L169-L473 HydrophobicContact CD1-CD1 4.13Å
170	I	94.8	Very high	93.8	Very high	23 Å²	23	16.8 Å²	16.8	12%	0.118	8%	0.078	C	C	.	.	H	α-helix	trans	-72.5	-43.2	-179.5	-57.2	-56.4	0	0	0	110.4	F166 F172 F173 L174 V438 T439 F442	F166-I170 WeakPolarHBondContact O-CG1 3.31Å; F166-I170 PolarHBondContact O-N 3.48Å; I170-F172 PolarHBondContact O-N 3.46Å; I170-F173 PolarHBondContact O-N 3.41Å; I170-L174 HydrophobicContact CG2-CD1 3.71Å; I170-L174 VanDerWaalsContact O-CD1 3.28Å; I170-L174 WeakPolarHBondContact O-CD1 3.27Å; I170-V438 HydrophobicContact CG2-CG1 4.33Å; I170-T439 HydrophobicContact CB-CG2 4.33Å; I170-F442 HydrophobicContact CD1-CD1 3.52Å; I170-F442 HydrophobicContact CD1-CE1 3.76Å; I170-F442 HydrophobicContact CG1-CD1 3.83Å
171	Y	95.2	Very high	93.8	Very high	6 Å²	6	17.3 Å²	17.3	2%	0.024	8%	0.081	C	C	.	.	H	α-helix	trans	-60.5	-33.1	179.7	-176.4	-103.5	0	0	0	113.3	P167 F173 L174 G175 S177 I180 I182 E432 A435 F436	P167-Y171 WeakPolarHBondContact O-CB 3.33Å; P167-Y171 PolarHBondContact O-N 3.2Å; Y171-F173 PolarHBondContact O-N 3.17Å; Y171-L174 PolarHBondContact O-N 2.81Å; Y171-L174 VanDerWaalsContact O-N 3.13Å; Y171-G175 VanDerWaalsContact CE2-CA 3.44Å; Y171-G175 VanDerWaalsContact CZ-CA 3.45Å; Y171-G175 WeakPolarHBondContact O-CA 3.26Å; Y171-G175 PolarHBondContact O-N 3.19Å; Y171-S177 VanDerWaalsContact OH-CB 3.28Å; Y171-S177 WeakPolarHBondContact OH-CB 3.46Å; Y171-S177 PolarHBondContact OH-N 3.31Å; Y171-I180 HydrophobicContact CE1-CD1 3.92Å; Y171-I180 HydrophobicContact CE1-CG1 3.72Å; Y171-I180 HydrophobicContact CE2-CD1 4.38Å; Y171-I180 WeakPolarHBondContact OH-CD1 3.3Å; Y171-I182 HydrophobicContact CD1-CD1 3.56Å; Y171-I182 HydrophobicContact CD1-CG1 3.88Å; Y171-I182 HydrophobicContact CD2-CD1 3.08Å; Y171-I182 HydrophobicContact CD2-CG1 4.25Å; Y171-I182 HydrophobicContact CE1-CD1 3.92Å; Y171-I182 HydrophobicContact CE1-CG1 4.24Å; Y171-I182 HydrophobicContact CE2-CD1 3.46Å; Y171-I182 VanDerWaalsContact CE2-CD1 3.46Å; Y171-I182 HydrophobicContact CG-CD1 3.11Å; Y171-I182 HydrophobicContact CG-CG1 3.88Å; Y171-E432 WeakPolarHBondContact CE2-OE2 3.27Å; Y171-E432 VanDerWaalsContact OH-CD 3.29Å; Y171-E432 PolarHBondContact OH-OE1 3.15Å; Y171-E432 PolarHBondContact OH-OE2 3.16Å; Y171-A435 HydrophobicContact CD2-CB 4.14Å; Y171-A435 HydrophobicContact CE2-CB 4.09Å; Y171-F436 HydrophobicContact CD2-CE2 4.43Å; Y171-F436 HydrophobicContact CE2-CD2 4.18Å; Y171-F436 AromaticContact CE2-CE2 3.77Å; Y171-F436 HydrophobicContact CE2-CE2 3.77Å; Y171-F436 HydrophobicContact CE2-CZ 4.37Å
172	F	93.2	Very high	93.9	Very high	15 Å²	15	17.3 Å²	17.3	7%	0.066	8%	0.081	C	C	.	.	H	α-helix	trans	-47.4	-38.1	173.5	167.2	-103.9	0	0	0	113.1	F115 S168 L169 I170 Q469 V470	F115-F172 VanDerWaalsContact CB-O 3.23Å; F115-F172 WeakPolarHBondContact CB-O 3.35Å; F115-F172 HydrophobicContact CD2-CE1 4.08Å; F115-F172 HydrophobicContact CD2-CZ 4.09Å; S168-F172 PolarHBondContact O-N 3.41Å; L169-F172 WeakPolarHBondContact O-CB 3.4Å; I170-F172 PolarHBondContact O-N 3.46Å; F172-Q469 HydrophobicContact CD2-CB 4.38Å; F172-Q469 HydrophobicContact CD2-CG 3.86Å; F172-Q469 WeakPolarHBondContact CD2-O 3.41Å; F172-Q469 HydrophobicContact CE2-CG 4.18Å; F172-Q469 PolarHBondContact O-NE2 2.91Å; F172-Q469 PolarHBondContact O-OE1 2.73Å; F172-V470 HydrophobicContact CE2-CB 4.36Å; F172-V470 HydrophobicContact CE2-CG2 3.92Å
173	F	91.9	Very high	94	Very high	78 Å²	78	17.2 Å²	17.2	34%	0.342	8%	0.081	S	C	.	.	H	α-helix	trans	-81.9	-36.9	-178	-61.7	-75.1	0	0	0	113.1	L113 F115 L169 I170 Y171	L113-F173 HydrophobicContact CD2-CB 4.4Å; F115-F173 HydrophobicContact CD1-CB 4.18Å; F115-F173 AromaticContact CD1-CD1 3.97Å; F115-F173 HydrophobicContact CD1-CD1 3.97Å; F115-F173 VanDerWaalsContact CD1-O 3.3Å; F115-F173 WeakPolarHBondContact CD1-O 3.39Å; F115-F173 HydrophobicContact CD2-CD1 4.42Å; F115-F173 HydrophobicContact CE1-CB 4.43Å; F115-F173 AromaticContact CE1-CD1 3.74Å; F115-F173 HydrophobicContact CE1-CD1 3.74Å; F115-F173 HydrophobicContact CE2-CD1 4.25Å; F115-F173 HydrophobicContact CG-CD1 4.3Å; F115-F173 AromaticContact CZ-CD1 3.9Å; F115-F173 HydrophobicContact CZ-CD1 3.9Å; F115-F173 HydrophobicContact CZ-CE1 4.36Å; L169-F173 HydrophobicContact CD1-CE2 4.4Å; L169-F173 VanDerWaalsContact O-CD2 3.23Å; L169-F173 WeakPolarHBondContact O-CD2 3.38Å; L169-F173 WeakPolarHBondContact O-CE2 3.1Å; I170-F173 PolarHBondContact O-N 3.41Å; Y171-F173 PolarHBondContact O-N 3.17Å
174	L	91.8	Very high	94	Very high	26 Å²	26	17.2 Å²	17.2	14%	0.136	8%	0.081	C	C	.	.	H	α-helix	trans	-104.2	-19.6	-169.6	-62.8	103.8	0	0	0	114.5	P114 I170 Y171 Q431 A435 V438	P114-L174 WeakPolarHBondContact CD-O 3.25Å; I170-L174 HydrophobicContact CG2-CD1 3.71Å; I170-L174 VanDerWaalsContact O-CD1 3.28Å; I170-L174 WeakPolarHBondContact O-CD1 3.27Å; Y171-L174 PolarHBondContact O-N 2.81Å; Y171-L174 VanDerWaalsContact O-N 3.13Å; L174-Q431 PolarHBondContact O-NE2 3.44Å; L174-A435 HydrophobicContact CB-CB 3.64Å; L174-A435 WeakPolarHBondContact O-CB 3.4Å; L174-V438 HydrophobicContact CD1-CG1 4.17Å; L174-V438 HydrophobicContact CD2-CB 3.97Å; L174-V438 HydrophobicContact CD2-CG1 4Å; L174-V438 HydrophobicContact CD2-CG2 4.07Å
175	G	90.6	Very high	93.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.			trans	-70.5	142.2	-174.7	0	0	0	0	0	113.8	P114 Y171 Q469	P114-G175 WeakPolarHBondContact CB-O 3.14Å; Y171-G175 VanDerWaalsContact CE2-CA 3.44Å; Y171-G175 VanDerWaalsContact CZ-CA 3.45Å; Y171-G175 WeakPolarHBondContact O-CA 3.26Å; Y171-G175 PolarHBondContact O-N 3.19Å; G175-Q469 PolarHBondContact O-OE1 3.21Å
176	T	90.2	Very high	93.7	Very high	22 Å²	22	17.5 Å²	17.5	14%	0.135	8%	0.083	C	C	.	.			trans	-94.8	-22	172.6	68.8	0	0	0	0	112.4	P114 N428 Q431 E432	P114-T176 HydrophobicContact CB-CG2 4.34Å; P114-T176 HydrophobicContact CG-CG2 3.77Å; T176-N428 HydrophobicContact CG2-CB 4.32Å; T176-Q431 HydrophobicContact CG2-CB 3.79Å; T176-Q431 HydrophobicContact CG2-CG 3.42Å; T176-Q431 VanDerWaalsContact CG2-CG 3.42Å; T176-E432 WeakPolarHBondContact CA-OE1 2.99Å; T176-E432 VanDerWaalsContact CB-OE1 3.3Å; T176-E432 WeakPolarHBondContact CB-OE1 3.47Å; T176-E432 PolarHBondContact N-OE1 3.42Å; T176-E432 PolarHBondContact OG1-OE1 3.29Å
177	S	92.2	Very high	93.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.			trans	-77.7	134.8	177.8	-168	0	0	0	0	111.8	Y171 I180 Y425 E432	Y171-S177 VanDerWaalsContact OH-CB 3.28Å; Y171-S177 WeakPolarHBondContact OH-CB 3.46Å; Y171-S177 PolarHBondContact OH-N 3.31Å; S177-I180 WeakPolarHBondContact OG-CG2 3.49Å; S177-Y425 PolarHBondContact OG-OH 2.78Å; S177-Y425 VanDerWaalsContact OG-OH 3.11Å; S177-E432 PolarHBondContact N-OE1 2.85Å
178	R	92.1	Very high	93.2	Very high	86 Å²	86	17.1 Å²	17.1	33%	0.325	8%	0.082	S	C	.	.	S	Bend	trans	-90.8	-12.7	-179.5	-63.4	179.7	-174.2	174.2	1.4	114	I118 Y425 Y461 T468 Q469	I118-R178 HydrophobicContact CD1-CG 4.05Å; R178-Y425 HydrophobicContact CB-CE1 4.45Å; R178-Y425 HydrophobicContact CG-CE2 4.48Å; R178-Y425 PolarHBondContact N-OH 3.09Å; R178-Y461 PolarHBondContact O-OH 2.9Å; R178-Y461 VanDerWaalsContact O-OH 3.05Å; R178-T468 CarbonylContact O-C 3.5Å; R178-Q469 PolarHBondContact O-N 3.31Å
179	H	93	Very high	93.1	Very high	7 Å²	7	17 Å²	17	3%	0.032	8%	0.08	C	C	.	.	S	Bend	trans	-129.4	-1.4	-166.3	-54.6	82.7	0	0	0	115.5	F419 F423 Y425 S458 Y461 V462	H179-F419 HydrophobicContact CB-CB 3.97Å; H179-F419 HydrophobicContact CB-CD1 4.37Å; H179-F419 HydrophobicContact CB-CG 4.08Å; H179-F423 AromaticContact CD2-CD2 3.79Å; H179-F423 AromaticContact CD2-CE2 3.7Å; H179-F423 AromaticContact CE1-CD2 3.5Å; H179-F423 AromaticContact CE1-CG 3.67Å; H179-F423 AromaticContact CG-CD2 3.97Å; H179-F423 AromaticContact ND1-CD2 3.78Å; H179-F423 AromaticContact NE2-CD2 3.5Å; H179-F423 AromaticContact NE2-CE2 3.74Å; H179-F423 AromaticContact NE2-CG 3.74Å; H179-Y425 AromaticContact CE1-CE1 3.66Å; H179-Y425 AromaticContact ND1-CE1 3.4Å; H179-Y425 WeakPolarHBondContact ND1-CE1 3.29Å; H179-Y425 AromaticContact ND1-CZ 3.76Å; H179-Y425 PolarHBondContact ND1-OH 2.98Å; H179-S458 WeakPolarHBondContact O-CB 3.47Å; H179-Y461 HydrophobicContact CB-CD1 3.96Å; H179-Y461 HydrophobicContact CB-CE1 3.66Å; H179-Y461 AromaticContact CD2-CE1 3.54Å; H179-Y461 AromaticContact CG-CE1 3.83Å; H179-Y461 WeakPolarHBondContact O-CD1 3.31Å; H179-V462 HydrophobicContact CB-CG2 3.93Å
180	I	94.1	Very high	92.9	Very high	16 Å²	16	15 Å²	15	8%	0.082	7%	0.07	C	C	.	.			trans	-86.6	141.3	175.9	72	-178.4	0	0	0	111	Y171 S177 I182 L415 A416 F419 F436 A453 S458	Y171-I180 HydrophobicContact CE1-CD1 3.92Å; Y171-I180 HydrophobicContact CE1-CG1 3.72Å; Y171-I180 HydrophobicContact CE2-CD1 4.38Å; Y171-I180 WeakPolarHBondContact OH-CD1 3.3Å; S177-I180 WeakPolarHBondContact OG-CG2 3.49Å; I180-I182 HydrophobicContact CD1-CD1 4.48Å; I180-I182 HydrophobicContact CD1-CG1 4.39Å; I180-I182 HydrophobicContact CG1-CG1 4.35Å; I180-L415 HydrophobicContact CG2-CB 4.41Å; I180-A416 HydrophobicContact CD1-CB 4.11Å; I180-A416 HydrophobicContact CG2-CB 3.93Å; I180-F419 HydrophobicContact CG2-CD2 4.3Å; I180-F436 HydrophobicContact CD1-CE2 4.3Å; I180-F436 HydrophobicContact CD1-CZ 4.23Å; I180-A453 HydrophobicContact CB-CB 4.04Å; I180-A453 HydrophobicContact CD1-CB 4.01Å; I180-A453 HydrophobicContact CG1-CB 4.37Å; I180-S458 WeakPolarHBondContact CA-OG 3.32Å
181	S	94.6	Very high	92.8	Very high	11 Å²	11	14 Å²	14	8%	0.077	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.1	171.9	159.4	0	0	0	0	109.8	H142 A453 S454 R457 S458	H142-S181 PolarHBondContact NE2-OG 3.42Å; S181-A453 WeakPolarHBondContact O-CA 3.49Å; S181-S454 PolarHBondContact O-N 3.33Å; S181-R457 PolarHBondContact O-NH2 3.33Å; S181-R457 VanDerWaalsContact O-NH2 3.16Å; S181-R457 VanDerWaalsContact OG-CB 3.31Å; S181-R457 WeakPolarHBondContact OG-CB 3.46Å; S181-R457 WeakPolarHBondContact OG-CD 3.41Å; S181-R457 PolarHBondContact OG-NE 3.31Å; S181-S458 PolarHBondContact N-OG 3.13Å
182	I	94.9	Very high	92.7	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.015	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	147	177.9	-59.9	-159	0	0	0	110.3	H142 P167 S168 Y171 I180 F436 A451	H142-I182 PolarHBondContact CE1-O 3.37Å; H142-I182 VanDerWaalsContact CE1-O 3.26Å; P167-I182 HydrophobicContact CB-CG2 3.68Å; S168-I182 PolarHBondContact OG-O 3.31Å; Y171-I182 HydrophobicContact CD1-CD1 3.56Å; Y171-I182 HydrophobicContact CD1-CG1 3.88Å; Y171-I182 HydrophobicContact CD2-CD1 3.08Å; Y171-I182 HydrophobicContact CD2-CG1 4.25Å; Y171-I182 HydrophobicContact CE1-CD1 3.92Å; Y171-I182 HydrophobicContact CE1-CG1 4.24Å; Y171-I182 HydrophobicContact CE2-CD1 3.46Å; Y171-I182 VanDerWaalsContact CE2-CD1 3.46Å; Y171-I182 HydrophobicContact CG-CD1 3.11Å; Y171-I182 HydrophobicContact CG-CG1 3.88Å; I180-I182 HydrophobicContact CD1-CD1 4.48Å; I180-I182 HydrophobicContact CD1-CG1 4.39Å; I180-I182 HydrophobicContact CG1-CG1 4.35Å; I182-F436 HydrophobicContact CD1-CD1 4.27Å; I182-F436 HydrophobicContact CD1-CE1 3.47Å; I182-F436 VanDerWaalsContact CD1-CE1 3.47Å; I182-F436 HydrophobicContact CD1-CE2 3.82Å; I182-F436 HydrophobicContact CD1-CZ 3.18Å; I182-F436 HydrophobicContact CG1-CE1 4.31Å; I182-F436 HydrophobicContact CG1-CZ 4.01Å; I182-F436 HydrophobicContact CG2-CE1 4.5Å; I182-A451 HydrophobicContact CG2-CB 4.15Å
183	G	95.6	Very high	92.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-140.1	168.6	0	0	0	0	0	109.6	T163 M185 A451 A452	T163-G183 CarbonylContact O-C 3.53Å; T163-G183 WeakPolarHBondContact O-CA 3.48Å; G183-M185 PolarHBondContact O-N 3.14Å; G183-A451 WeakPolarHBondContact O-CA 3.33Å; G183-A451 WeakPolarHBondContact O-CB 3.36Å; G183-A452 PolarHBondContact N-O 3.16Å; G183-A452 PolarHBondContact O-N 2.61Å
184	T	95.5	Very high	92.5	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.			trans	-59.5	138.2	172.3	61.3	0	0	0	0	111.4	G146 G160 T163 Y449 R457	G146-T184 WeakPolarHBondContact CA-OG1 3.31Å; G160-T184 VanDerWaalsContact O-CG2 3.23Å; G160-T184 WeakPolarHBondContact O-CG2 3.1Å; T163-T184 HydrophobicContact CG2-CG2 3.9Å; T184-Y449 HydrophobicContact CG2-CE1 4.36Å; T184-Y449 VanDerWaalsContact CG2-OH 3.26Å; T184-Y449 WeakPolarHBondContact CG2-OH 3.35Å; T184-R457 PolarHBondContact O-NH1 2.85Å; T184-R457 PolarHBondContact O-NH2 2.63Å; T184-R457 PolarHBondContact OG1-NH1 3.29Å
185	M	93.1	Very high	92.5	Very high	13 Å²	13	9.9 Å²	9.9	6%	0.064	5%	0.048	C	C	.	.			trans	-142.7	141.8	178.8	-160.3	-80.6	-78.8	0	0	109.9	G183 V187 V188 S189 I411 A452 A453	G183-M185 PolarHBondContact O-N 3.14Å; M185-V187 HydrophobicContact CE-CB 3.52Å; M185-V187 HydrophobicContact CE-CG2 3.74Å; M185-V187 PolarHBondContact O-N 3.07Å; M185-V187 HydrophobicContact SD-CB 3.91Å; M185-V187 HydrophobicContact SD-CG2 3.75Å; M185-V187 PolarHBondContact SD-N 3.28Å; M185-V188 HydrophobicContact CE-CG2 4.02Å; M185-V188 PolarHBondContact O-N 2.89Å; M185-S189 VanDerWaalsContact O-CB 3.27Å; M185-S189 WeakPolarHBondContact O-CB 3.24Å; M185-S189 PolarHBondContact O-N 3.22Å; M185-S189 PolarHBondContact O-OG 3.43Å; M185-I411 HydrophobicContact CE-CB 4.46Å; M185-I411 HydrophobicContact CE-CD1 3.8Å; M185-I411 HydrophobicContact CE-CG2 4.05Å; M185-A452 HydrophobicContact CB-CB 3.9Å; M185-A452 HydrophobicContact CE-CB 4Å; M185-A452 HydrophobicContact CG-CB 4.27Å; M185-A453 WeakPolarHBondContact CG-O 2.86Å
186	A	91	Very high	92.6	Very high	2 Å²	2	9.9 Å²	9.9	2%	0.017	5%	0.048	C	C	.	.	H	α-helix	trans	-51.2	-54.5	-173.9	0	0	0	0	0	113.2	Y149 S189 L190 V278 M509	Y149-A186 HydrophobicContact CD1-CB 4.26Å; Y149-A186 HydrophobicContact CE1-CB 3.43Å; Y149-A186 VanDerWaalsContact CE1-CB 3.43Å; A186-S189 PolarHBondContact O-N 2.95Å; A186-L190 WeakPolarHBondContact O-CB 3.38Å; A186-L190 PolarHBondContact O-N 3.42Å; A186-V278 HydrophobicContact CB-CG2 4.38Å; A186-M509 HydrophobicContact CB-SD 4.23Å
187	V	89.4	Confident	92.6	Very high	3 Å²	3	10 Å²	10	2%	0.018	5%	0.047	C	C	.	.	H	α-helix	trans	-64.3	-47	-175.7	-172.9	0	0	0	0	111.3	M185 S189 L190 L191 F270 V274 I407 I411 M509	M185-V187 HydrophobicContact CE-CB 3.52Å; M185-V187 HydrophobicContact CE-CG2 3.74Å; M185-V187 PolarHBondContact O-N 3.07Å; M185-V187 HydrophobicContact SD-CB 3.91Å; M185-V187 HydrophobicContact SD-CG2 3.75Å; M185-V187 PolarHBondContact SD-N 3.28Å; V187-S189 VanDerWaalsContact C-N 3.34Å; V187-S189 PolarHBondContact O-N 3.38Å; V187-L190 PolarHBondContact O-N 3.4Å; V187-L191 HydrophobicContact CG1-CD1 4.18Å; V187-L191 VanDerWaalsContact O-CG 3.32Å; V187-L191 WeakPolarHBondContact O-CG 3.44Å; V187-L191 PolarHBondContact O-N 3.43Å; V187-F270 HydrophobicContact CG1-CE1 3.92Å; V187-F270 HydrophobicContact CG1-CZ 4.15Å; V187-V274 HydrophobicContact CB-CG1 4.12Å; V187-V274 HydrophobicContact CG1-CG1 4.16Å; V187-V274 HydrophobicContact CG1-CG2 4.11Å; V187-V274 HydrophobicContact CG2-CB 4.39Å; V187-V274 HydrophobicContact CG2-CG1 3.76Å; V187-I407 HydrophobicContact CG1-CG2 3.72Å; V187-I411 HydrophobicContact CB-CD1 4.06Å; V187-I411 HydrophobicContact CG1-CD1 4.1Å; V187-I411 HydrophobicContact CG2-CD1 3.82Å; V187-M509 HydrophobicContact CG2-CE 4.25Å
188	V	93	Very high	92.5	Very high	2 Å²	2	13 Å²	13	1%	0.012	6%	0.059	C	C	.	.	H	α-helix	trans	-69.5	-34.9	-178.1	173.4	0	0	0	0	111.5	M185 L191 T192 P450 A452	M185-V188 HydrophobicContact CE-CG2 4.02Å; M185-V188 PolarHBondContact O-N 2.89Å; V188-L191 PolarHBondContact O-N 3.39Å; V188-T192 WeakPolarHBondContact O-CB 3.35Å; V188-T192 PolarHBondContact O-N 3.15Å; V188-T192 PolarHBondContact O-OG1 3.12Å; V188-P450 HydrophobicContact CG1-CB 3.6Å; V188-P450 WeakPolarHBondContact CG1-O 3.42Å; V188-A452 HydrophobicContact CB-CB 4.47Å; V188-A452 HydrophobicContact CG2-CB 3.73Å
189	S	94.2	Very high	92.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67.9	-39.2	175.3	-53.7	0	0	0	0	111.2	Y149 A153 M185 A186 V187 T192 G193 Y449	Y149-S189 WeakPolarHBondContact O-CB 3.19Å; A153-S189 WeakPolarHBondContact CA-O 3.26Å; A153-S189 WeakPolarHBondContact CB-O 3.31Å; M185-S189 VanDerWaalsContact O-CB 3.27Å; M185-S189 WeakPolarHBondContact O-CB 3.24Å; M185-S189 PolarHBondContact O-N 3.22Å; M185-S189 PolarHBondContact O-OG 3.43Å; A186-S189 PolarHBondContact O-N 2.95Å; V187-S189 VanDerWaalsContact C-N 3.34Å; V187-S189 PolarHBondContact O-N 3.38Å; S189-T192 PolarHBondContact O-N 3.38Å; S189-G193 PolarHBondContact O-N 2.94Å; S189-Y449 PolarHBondContact OG-OH 3.35Å; S189-Y449 VanDerWaalsContact OG-OH 3.07Å
190	L	91	Very high	92.4	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-63.5	-48.4	173.6	-179.5	68.3	0	0	0	111.7	V152 A186 V187 T192 G193 D194 V274 H277 V278 V542	V152-L190 HydrophobicContact CG1-CB 4.17Å; V152-L190 HydrophobicContact CG1-CD1 4.31Å; A186-L190 WeakPolarHBondContact O-CB 3.38Å; A186-L190 PolarHBondContact O-N 3.42Å; V187-L190 PolarHBondContact O-N 3.4Å; L190-T192 VanDerWaalsContact C-N 3.27Å; L190-T192 PolarHBondContact O-N 2.92Å; L190-G193 WeakPolarHBondContact O-CA 3.48Å; L190-G193 PolarHBondContact O-N 3.17Å; L190-G193 VanDerWaalsContact O-N 3.08Å; L190-D194 PolarHBondContact O-N 3.03Å; L190-V274 HydrophobicContact CD2-CG1 3.84Å; L190-H277 HydrophobicContact CD1-CB 4.25Å; L190-H277 HydrophobicContact CD2-CB 3.37Å; L190-H277 HydrophobicContact CG-CB 4.43Å; L190-V278 HydrophobicContact CB-CG2 4.27Å; L190-V278 HydrophobicContact CD2-CG2 4.07Å; L190-V542 HydrophobicContact CD2-CG2 3.59Å; L190-V542 HydrophobicContact CG-CG2 4.37Å
191	L	91.4	Very high	92	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-58	-41.5	176.5	-72.4	171	0	0	0	112.3	V187 V188 F195 I407 V542 N543	V187-L191 HydrophobicContact CG1-CD1 4.18Å; V187-L191 VanDerWaalsContact O-CG 3.32Å; V187-L191 WeakPolarHBondContact O-CG 3.44Å; V187-L191 PolarHBondContact O-N 3.43Å; V188-L191 PolarHBondContact O-N 3.39Å; L191-F195 VanDerWaalsContact O-CB 3.29Å; L191-F195 WeakPolarHBondContact O-CB 3.38Å; L191-F195 PolarHBondContact O-N 3.44Å; L191-I407 HydrophobicContact CD1-CB 4.1Å; L191-I407 HydrophobicContact CD1-CD1 3.55Å; L191-I407 HydrophobicContact CD1-CG1 4.42Å; L191-I407 HydrophobicContact CD1-CG2 3.96Å; L191-I407 HydrophobicContact CD2-CD1 4.31Å; L191-V542 HydrophobicContact CD2-CB 3.96Å; L191-V542 HydrophobicContact CD2-CG1 3.54Å; L191-V542 HydrophobicContact CG-CG1 4.19Å; L191-N543 WeakPolarHBondContact CD2-OD1 3.48Å
192	T	94.1	Very high	91.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-44.6	175.5	-56.8	0	0	0	0	110.4	A153 V188 S189 L190 F195 L196 L239 Y449	A153-T192 HydrophobicContact CB-CG2 4.19Å; V188-T192 WeakPolarHBondContact O-CB 3.35Å; V188-T192 PolarHBondContact O-N 3.15Å; V188-T192 PolarHBondContact O-OG1 3.12Å; S189-T192 PolarHBondContact O-N 3.38Å; L190-T192 VanDerWaalsContact C-N 3.27Å; L190-T192 PolarHBondContact O-N 2.92Å; T192-F195 PolarHBondContact O-N 2.99Å; T192-L196 HydrophobicContact CG2-CD1 3.84Å; T192-L196 HydrophobicContact CG2-CG 4.35Å; T192-L196 WeakPolarHBondContact O-CB 3.5Å; T192-L196 WeakPolarHBondContact O-CG 3.16Å; T192-L196 PolarHBondContact O-N 3.15Å; T192-L239 HydrophobicContact CG2-CD2 4.2Å; T192-Y449 HydrophobicContact CG2-CD2 4.22Å
193	G	92.2	Very high	91.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-50.4	176.4	0	0	0	0	0	112.7	S189 L190 F195 L196 D197	S189-G193 PolarHBondContact O-N 2.94Å; L190-G193 WeakPolarHBondContact O-CA 3.48Å; L190-G193 PolarHBondContact O-N 3.17Å; L190-G193 VanDerWaalsContact O-N 3.08Å; G193-F195 VanDerWaalsContact C-N 3.28Å; G193-F195 PolarHBondContact O-N 3.44Å; G193-L196 PolarHBondContact O-N 2.68Å; G193-D197 WeakPolarHBondContact O-CB 3.37Å; G193-D197 PolarHBondContact O-N 3.37Å
194	D	88.6	Confident	91	Very high	35 Å²	35	20.8 Å²	20.8	19%	0.187	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-37.1	179.2	-72	-4.7	0	0	0	112.2	L190 R198	L190-D194 PolarHBondContact O-N 3.03Å; D194-R198 WeakPolarHBondContact O-CB 3.43Å; D194-R198 PolarHBondContact O-N 2.93Å; D194-R198 PolarHBondContact O-NH1 3.42Å
195	F	92	Very high	90.4	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-51.2	173	166.3	-104.5	0	0	0	111.5	L191 T192 G193 R198 V199 Y235 L239 M394 H397 D400	L191-F195 VanDerWaalsContact O-CB 3.29Å; L191-F195 WeakPolarHBondContact O-CB 3.38Å; L191-F195 PolarHBondContact O-N 3.44Å; T192-F195 PolarHBondContact O-N 2.99Å; G193-F195 VanDerWaalsContact C-N 3.28Å; G193-F195 PolarHBondContact O-N 3.44Å; F195-R198 PolarHBondContact O-N 3.33Å; F195-V199 HydrophobicContact CD2-CG2 3.87Å; F195-V199 HydrophobicContact CE2-CG2 3.41Å; F195-V199 VanDerWaalsContact CE2-CG2 3.41Å; F195-V199 HydrophobicContact CZ-CG2 3.8Å; F195-V199 WeakPolarHBondContact O-CG2 3.43Å; F195-V199 PolarHBondContact O-N 3.47Å; F195-Y235 HydrophobicContact CE1-CD1 4.48Å; F195-Y235 HydrophobicContact CZ-CD1 4.13Å; F195-L239 HydrophobicContact CB-CD2 4.49Å; F195-L239 HydrophobicContact CD1-CB 4.37Å; F195-L239 HydrophobicContact CD1-CD2 3.67Å; F195-L239 HydrophobicContact CD1-CG 4.41Å; F195-L239 HydrophobicContact CE1-CB 4.01Å; F195-L239 HydrophobicContact CE1-CD2 4.17Å; F195-L239 HydrophobicContact CE1-CG 4.46Å; F195-L239 HydrophobicContact CG-CD2 4.2Å; F195-M394 HydrophobicContact CE1-CE 4.39Å; F195-M394 HydrophobicContact CE1-SD 4.23Å; F195-M394 HydrophobicContact CE2-CE 4.06Å; F195-M394 HydrophobicContact CZ-CE 3.69Å; F195-M394 HydrophobicContact CZ-SD 3.64Å; F195-H397 HydrophobicContact CE2-CB 3.67Å; F195-H397 AromaticContact CE2-CG 3.8Å; F195-H397 HydrophobicContact CZ-CB 4.35Å; F195-D400 HydrophobicContact CD2-CB 3.92Å; F195-D400 HydrophobicContact CE2-CB 4.42Å
196	L	93.4	Very high	90	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-47.1	-177.9	-70.3	173.2	0	0	0	111.7	A153 L155 T192 G193 R198 V199 I200 R232 A236	A153-L196 WeakPolarHBondContact O-CD1 3.36Å; L155-L196 HydrophobicContact CD1-CD1 4.45Å; L155-L196 HydrophobicContact CD2-CD1 4.06Å; L155-L196 HydrophobicContact CG-CD1 4.1Å; T192-L196 HydrophobicContact CG2-CD1 3.84Å; T192-L196 HydrophobicContact CG2-CG 4.35Å; T192-L196 WeakPolarHBondContact O-CB 3.5Å; T192-L196 WeakPolarHBondContact O-CG 3.16Å; T192-L196 PolarHBondContact O-N 3.15Å; G193-L196 PolarHBondContact O-N 2.68Å; L196-R198 PolarHBondContact O-N 2.94Å; L196-V199 PolarHBondContact O-N 3.38Å; L196-I200 VanDerWaalsContact O-CB 3.29Å; L196-I200 WeakPolarHBondContact O-CB 3.35Å; L196-I200 WeakPolarHBondContact O-CG1 3.27Å; L196-I200 PolarHBondContact O-N 3.1Å; L196-R232 HydrophobicContact CB-CG 4.32Å; L196-R232 HydrophobicContact CD1-CG 4.07Å; L196-R232 HydrophobicContact CD2-CG 4.21Å; L196-R232 WeakPolarHBondContact CD2-O 3.4Å; L196-R232 HydrophobicContact CG-CG 4.43Å; L196-A236 HydrophobicContact CD1-CB 3.88Å; L196-A236 HydrophobicContact CD2-CB 4.08Å
197	D	89.8	Confident	89.6	Confident	24 Å²	24	29.3 Å²	29.3	13%	0.128	15%	0.147	C	C	.	.	H	α-helix	trans	-55.7	-42.9	177.5	-76	-42.2	0	0	0	111.1	T154 G193 H201 R293	T154-D197 WeakPolarHBondContact CG2-OD2 3.29Å; G193-D197 WeakPolarHBondContact O-CB 3.37Å; G193-D197 PolarHBondContact O-N 3.37Å; D197-H201 VanDerWaalsContact O-CB 3.27Å; D197-H201 WeakPolarHBondContact O-CB 3.44Å; D197-H201 PolarHBondContact O-N 3.49Å; D197-H201 VanDerWaalsContact O-N 3.1Å; D197-R293 WeakPolarHBondContact OD2-CD 3.16Å; D197-R293 IonicContact OD2-CZ 3.78Å; D197-R293 IonicContact OD2-NE 3.83Å; D197-R293 IonicContact OD2-NH1 2.82Å; D197-R293 PolarHBondContact OD2-NH1 3.18Å
198	R	90	Very high	89.1	Confident	65 Å²	65	32.6 Å²	32.6	25%	0.245	16%	0.161	C	C	.	.	H	α-helix	trans	-68.1	-48.2	178.4	-175.4	176.3	63.8	-100.3	3.8	112.6	D194 F195 L196 H201 L202 P295 D400	D194-R198 WeakPolarHBondContact O-CB 3.43Å; D194-R198 PolarHBondContact O-N 2.93Å; D194-R198 PolarHBondContact O-NH1 3.42Å; F195-R198 PolarHBondContact O-N 3.33Å; L196-R198 PolarHBondContact O-N 2.94Å; R198-H201 PolarHBondContact O-N 2.96Å; R198-L202 HydrophobicContact CG-CD1 4.25Å; R198-L202 VanDerWaalsContact O-CG 3.31Å; R198-L202 WeakPolarHBondContact O-CG 3.34Å; R198-L202 PolarHBondContact O-N 2.9Å; R198-P295 HydrophobicContact CB-CB 4.09Å; R198-D400 IonicContact CZ-OD1 3.77Å; R198-D400 IonicContact CZ-OD2 2.75Å; R198-D400 IonicContact NH2-OD1 2.82Å; R198-D400 PolarHBondContact NH2-OD1 2.98Å; R198-D400 IonicContact NH2-OD2 2.67Å; R198-D400 PolarHBondContact NH2-OD2 3.5Å
199	V	91.5	Very high	88.3	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-68.6	-38.4	-176.7	172.8	0	0	0	0	111.5	F195 L196 L202 K203 Y235	F195-V199 HydrophobicContact CD2-CG2 3.87Å; F195-V199 HydrophobicContact CE2-CG2 3.41Å; F195-V199 VanDerWaalsContact CE2-CG2 3.41Å; F195-V199 HydrophobicContact CZ-CG2 3.8Å; F195-V199 WeakPolarHBondContact O-CG2 3.43Å; F195-V199 PolarHBondContact O-N 3.47Å; L196-V199 PolarHBondContact O-N 3.38Å; V199-L202 PolarHBondContact O-N 3.4Å; V199-K203 WeakPolarHBondContact O-CB 3.26Å; V199-K203 PolarHBondContact O-N 3.37Å; V199-Y235 HydrophobicContact CG1-CD1 3.74Å; V199-Y235 HydrophobicContact CG1-CD2 3.79Å; V199-Y235 HydrophobicContact CG1-CE1 3.48Å; V199-Y235 VanDerWaalsContact CG1-CE1 3.48Å; V199-Y235 HydrophobicContact CG1-CE2 3.57Å; V199-Y235 HydrophobicContact CG1-CG 3.9Å; V199-Y235 VanDerWaalsContact CG1-CZ 3.4Å
200	I	91	Very high	87.5	Confident	9 Å²	9	38.3 Å²	38.3	5%	0.046	21%	0.205	C	C	.	.	H	α-helix	trans	-67.9	-40.3	177.5	-62.5	-67.2	0	0	0	110.8	L196 L202 K203 A204 A228 F231 R232 Y235	L196-I200 VanDerWaalsContact O-CB 3.29Å; L196-I200 WeakPolarHBondContact O-CB 3.35Å; L196-I200 WeakPolarHBondContact O-CG1 3.27Å; L196-I200 PolarHBondContact O-N 3.1Å; I200-L202 PolarHBondContact O-N 2.94Å; I200-K203 PolarHBondContact O-N 2.9Å; I200-A204 WeakPolarHBondContact O-CB 3.28Å; I200-A204 PolarHBondContact O-N 3.47Å; I200-A228 VanDerWaalsContact CD1-O 3.26Å; I200-A228 WeakPolarHBondContact CD1-O 3.39Å; I200-A228 HydrophobicContact CG2-CB 4.15Å; I200-F231 HydrophobicContact CD1-CB 4.23Å; I200-R232 HydrophobicContact CD1-CB 3.83Å; I200-R232 HydrophobicContact CG1-CB 4.13Å; I200-R232 HydrophobicContact CG1-CG 4.36Å; I200-Y235 HydrophobicContact CD1-CD2 4.48Å
201	H	86.7	Confident	86.6	Confident	114 Å²	114	40 Å²	40	53%	0.528	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-45.7	173	-176.6	-82.2	0	0	0	112.1	D197 R198 K203 A204 Q205	D197-H201 VanDerWaalsContact O-CB 3.27Å; D197-H201 WeakPolarHBondContact O-CB 3.44Å; D197-H201 PolarHBondContact O-N 3.49Å; D197-H201 VanDerWaalsContact O-N 3.1Å; R198-H201 PolarHBondContact O-N 2.96Å; H201-K203 VanDerWaalsContact C-N 3.34Å; H201-K203 PolarHBondContact O-N 3.36Å; H201-A204 PolarHBondContact O-N 2.96Å; H201-Q205 PolarHBondContact O-N 3.31Å; H201-Q205 VanDerWaalsContact O-N 3.07Å
202	L	87.6	Confident	85.7	Confident	88 Å²	88	43.4 Å²	43.4	46%	0.461	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-39.4	176.1	-69.5	172.4	0	0	0	112.1	R198 V199 I200 Q205 S206	R198-L202 HydrophobicContact CG-CD1 4.25Å; R198-L202 VanDerWaalsContact O-CG 3.31Å; R198-L202 WeakPolarHBondContact O-CG 3.34Å; R198-L202 PolarHBondContact O-N 2.9Å; V199-L202 PolarHBondContact O-N 3.4Å; I200-L202 PolarHBondContact O-N 2.94Å; L202-Q205 PolarHBondContact O-N 3.07Å; L202-S206 PolarHBondContact O-N 3.41Å
203	K	88.8	Confident	84.8	Confident	61 Å²	61	47.5 Å²	47.5	27%	0.265	26%	0.263	S	S	.	.	H	α-helix	trans	-66.3	-44.9	177.3	-173.9	68.4	178.4	-170.5	0	111.3	V199 I200 H201 Q205 S206 I207 A228 F231	V199-K203 WeakPolarHBondContact O-CB 3.26Å; V199-K203 PolarHBondContact O-N 3.37Å; I200-K203 PolarHBondContact O-N 2.9Å; H201-K203 VanDerWaalsContact C-N 3.34Å; H201-K203 PolarHBondContact O-N 3.36Å; K203-Q205 VanDerWaalsContact C-N 3.31Å; K203-Q205 PolarHBondContact O-N 3.42Å; K203-S206 PolarHBondContact O-N 3.46Å; K203-S206 VanDerWaalsContact O-N 3.1Å; K203-S206 PolarHBondContact O-OG 2.84Å; K203-I207 HydrophobicContact CD-CD1 4.43Å; K203-I207 HydrophobicContact CG-CD1 3.96Å; K203-I207 HydrophobicContact CG-CG1 4.47Å; K203-I207 WeakPolarHBondContact O-CG1 3Å; K203-I207 PolarHBondContact O-N 3.26Å; K203-A228 HydrophobicContact CB-CB 4.39Å; K203-A228 HydrophobicContact CG-CB 4.3Å; K203-F231 HydrophobicContact CG-CD2 4.37Å
204	A	86.2	Confident	83.8	Confident	11 Å²	11	53.5 Å²	53.5	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-44.4	176.2	0	0	0	0	0	111.3	I200 H201 S206 I207 K208 I225 A228	I200-A204 WeakPolarHBondContact O-CB 3.28Å; I200-A204 PolarHBondContact O-N 3.47Å; H201-A204 PolarHBondContact O-N 2.96Å; A204-S206 PolarHBondContact O-N 3.48Å; A204-I207 PolarHBondContact O-N 3.1Å; A204-K208 WeakPolarHBondContact O-CB 3.28Å; A204-K208 PolarHBondContact O-N 3.44Å; A204-I225 HydrophobicContact CB-CG1 4.42Å; A204-A228 HydrophobicContact CB-CB 3.68Å
205	Q	83.9	Confident	82.6	Confident	110 Å²	110	59.8 Å²	59.8	51%	0.514	32%	0.317	S	S	.	.	H	α-helix	trans	-62	-42.1	174.7	-171.1	175.6	-7.1	0	0	112.1	H201 L202 K203 K208 S209	H201-Q205 PolarHBondContact O-N 3.31Å; H201-Q205 VanDerWaalsContact O-N 3.07Å; L202-Q205 PolarHBondContact O-N 3.07Å; K203-Q205 VanDerWaalsContact C-N 3.31Å; K203-Q205 PolarHBondContact O-N 3.42Å; Q205-K208 PolarHBondContact O-N 3.04Å; Q205-S209 PolarHBondContact O-N 3.15Å; Q205-S209 PolarHBondContact O-OG 3.04Å
206	S	84.2	Confident	81.3	Confident	57 Å²	57	63.2 Å²	63.2	40%	0.399	35%	0.352	S	S	.	.	H	α-helix	trans	-65.5	-39.9	177.7	75.5	0	0	0	0	113.3	L202 K203 A204 S209 A210	L202-S206 PolarHBondContact O-N 3.41Å; K203-S206 PolarHBondContact O-N 3.46Å; K203-S206 VanDerWaalsContact O-N 3.1Å; K203-S206 PolarHBondContact O-OG 2.84Å; A204-S206 PolarHBondContact O-N 3.48Å; S206-S209 PolarHBondContact O-N 2.65Å; S206-A210 WeakPolarHBondContact O-CB 3.23Å; S206-A210 PolarHBondContact O-N 2.84Å
207	I	82.8	Confident	79.8	Confident	27 Å²	27	69 Å²	69	14%	0.138	38%	0.383	C	S	.	.	H	α-helix	trans	-66.4	-43.2	177.3	-69	168.7	0	0	0	109.4	K203 A204 A210 N211 D227 A228	K203-I207 HydrophobicContact CD-CD1 4.43Å; K203-I207 HydrophobicContact CG-CD1 3.96Å; K203-I207 HydrophobicContact CG-CG1 4.47Å; K203-I207 WeakPolarHBondContact O-CG1 3Å; K203-I207 PolarHBondContact O-N 3.26Å; A204-I207 PolarHBondContact O-N 3.1Å; I207-A210 PolarHBondContact O-N 3.43Å; I207-N211 WeakPolarHBondContact O-CB 3.29Å; I207-N211 VanDerWaalsContact O-CG 3.31Å; I207-N211 PolarHBondContact O-N 3.47Å; I207-D227 HydrophobicContact CD1-CB 4.33Å; I207-A228 HydrophobicContact CD1-CB 4.17Å
208	K	78.3	Confident	78.5	Confident	71 Å²	71	75.6 Å²	75.6	31%	0.309	42%	0.416	S	S	.	.	H	α-helix	trans	-58.1	-52.2	175.4	-176	177.7	177.8	178.6	0	111.5	A204 Q205 A210 N211 E212	A204-K208 WeakPolarHBondContact O-CB 3.28Å; A204-K208 PolarHBondContact O-N 3.44Å; Q205-K208 PolarHBondContact O-N 3.04Å; K208-A210 VanDerWaalsContact C-N 3.31Å; K208-A210 PolarHBondContact O-N 3.18Å; K208-N211 PolarHBondContact O-N 3.32Å; K208-E212 WeakPolarHBondContact CE-OE1 3.28Å; K208-E212 WeakPolarHBondContact CG-OE1 3.32Å; K208-E212 WeakPolarHBondContact O-CB 3.43Å; K208-E212 WeakPolarHBondContact O-CG 3.23Å; K208-E212 PolarHBondContact O-N 3.11Å
209	S	77	Confident	77.1	Confident	67 Å²	67	74.1 Å²	74.1	47%	0.469	41%	0.414	S	S	.	.	H	α-helix	trans	-60.2	-38.9	177.6	-61.2	0	0	0	0	112.7	Q205 S206 A213	Q205-S209 PolarHBondContact O-N 3.15Å; Q205-S209 PolarHBondContact O-OG 3.04Å; S206-S209 PolarHBondContact O-N 2.65Å; S209-A213 WeakPolarHBondContact O-CB 3.37Å; S209-A213 PolarHBondContact O-N 3.1Å; S209-A213 VanDerWaalsContact O-N 3.1Å
210	A	77.6	Confident	75.7	Confident	56 Å²	56	79.6 Å²	79.6	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-68.8	-41.1	178.9	0	0	0	0	0	112.4	S206 I207 K208 A213 L214	S206-A210 WeakPolarHBondContact O-CB 3.23Å; S206-A210 PolarHBondContact O-N 2.84Å; I207-A210 PolarHBondContact O-N 3.43Å; K208-A210 VanDerWaalsContact C-N 3.31Å; K208-A210 PolarHBondContact O-N 3.18Å; A210-A213 PolarHBondContact O-N 3.48Å; A210-L214 WeakPolarHBondContact O-CB 3.16Å; A210-L214 PolarHBondContact O-N 2.75Å
211	N	72.6	Confident	74.3	Confident	35 Å²	35	83.5 Å²	83.5	19%	0.187	46%	0.464	C	S	.	.	H	α-helix	trans	-70.1	-39.4	178.4	-73.3	-15.1	0	0	0	112.2	I207 K208 A213 L214 Y215 T219	I207-N211 WeakPolarHBondContact O-CB 3.29Å; I207-N211 VanDerWaalsContact O-CG 3.31Å; I207-N211 PolarHBondContact O-N 3.47Å; K208-N211 PolarHBondContact O-N 3.32Å; N211-A213 VanDerWaalsContact C-N 3.29Å; N211-A213 PolarHBondContact O-N 3.02Å; N211-L214 PolarHBondContact O-N 3.23Å; N211-Y215 PolarHBondContact O-N 3.06Å; N211-T219 HydrophobicContact CB-CG2 3.62Å
212	E	72.6	Confident	73.3	Confident	76 Å²	76	84.1 Å²	84.1	36%	0.355	47%	0.471	S	S	.	.	H	α-helix	trans	-61.1	-39.9	173.1	-74.3	173.8	-177.6	0	0	111.1	K208 G216	K208-E212 WeakPolarHBondContact CE-OE1 3.28Å; K208-E212 WeakPolarHBondContact CG-OE1 3.32Å; K208-E212 WeakPolarHBondContact O-CB 3.43Å; K208-E212 WeakPolarHBondContact O-CG 3.23Å; K208-E212 PolarHBondContact O-N 3.11Å; E212-G216 WeakPolarHBondContact O-CA 3.38Å; E212-G216 PolarHBondContact O-N 2.96Å
213	A	74	Confident	72.6	Confident	87 Å²	87	83 Å²	83	72%	0.719	47%	0.468	S	S	*	.	H	α-helix	trans	-70.6	-35.9	176.4	0	0	0	0	0	113.6	S209 A210 N211	S209-A213 WeakPolarHBondContact O-CB 3.37Å; S209-A213 PolarHBondContact O-N 3.1Å; S209-A213 VanDerWaalsContact O-N 3.1Å; A210-A213 PolarHBondContact O-N 3.48Å; N211-A213 VanDerWaalsContact C-N 3.29Å; N211-A213 PolarHBondContact O-N 3.02Å
214	L	71	Confident	71.8	Confident	125 Å²	125	80.1 Å²	80.1	65%	0.654	46%	0.456	S	S	*	.	H	α-helix	trans	-84.5	-41.3	-174.3	-170.5	67.4	0	0	0	113.2	A210 N211	A210-L214 WeakPolarHBondContact O-CB 3.16Å; A210-L214 PolarHBondContact O-N 2.75Å; N211-L214 PolarHBondContact O-N 3.23Å
215	Y	64.1	Low	71.2	Confident	168 Å²	168	83.3 Å²	83.3	66%	0.659	47%	0.47	S	S	*	.	H	α-helix	trans	-106.8	-7.3	-173.3	-66.7	-72.8	0	0	0	113.9	N211 N217	N211-Y215 PolarHBondContact O-N 3.06Å; Y215-N217 PolarHBondContact O-N 3.13Å
216	G	63.4	Low	71	Confident	73 Å²	73	84 Å²	84	75%	0.753	47%	0.473	S	S	*	.	S	Bend	trans	59.9	6.3	-176.7	0	0	0	0	0	114.3	E212	E212-G216 WeakPolarHBondContact O-CA 3.38Å; E212-G216 PolarHBondContact O-N 2.96Å
217	N	63.8	Low	70.8	Confident	122 Å²	122	84.2 Å²	84.2	65%	0.652	47%	0.47	S	S	*	.	S	Bend	trans	-110.9	134.9	-174.1	-141.8	6.5	0	0	0	108	Y215 T219	Y215-N217 PolarHBondContact O-N 3.13Å; N217-T219 PolarHBondContact O-N 3.09Å
218	M	60.8	Low	70.9	Confident	163 Å²	163	83 Å²	83	80%	0.803	46%	0.464	S	S	*	.			trans	-64.7	97.7	174.5	-80.2	-176.7	-98.6	0	0	108.5	N220	M218-N220 PolarHBondContact O-N 2.92Å
219	T	61.7	Low	71.3	Confident	34 Å²	34	83.1 Å²	83.1	21%	0.209	47%	0.465	C	S	.	.			trans	-60	131.7	169	40.9	0	0	0	0	109	N211 N217 N221	N211-T219 HydrophobicContact CB-CG2 3.62Å; N217-T219 PolarHBondContact O-N 3.09Å; T219-N221 PolarHBondContact O-N 3.2Å
220	N	62.1	Low	71.8	Confident	118 Å²	118	86 Å²	86	63%	0.631	47%	0.472	S	S	*	.			trans	-55.7	135.7	175.7	-73.9	-9.7	0	0	0	109.5	M218 D222 T223 S224	M218-N220 PolarHBondContact O-N 2.92Å; N220-D222 PolarHBondContact O-N 3.25Å; N220-D222 VanDerWaalsContact O-N 3.08Å; N220-T223 PolarHBondContact O-N 3.33Å; N220-T223 VanDerWaalsContact O-N 3.07Å; N220-T223 PolarHBondContact O-OG1 3.27Å; N220-S224 PolarHBondContact O-N 3.48Å
221	N	62.3	Low	72.4	Confident	91 Å²	91	87 Å²	87	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-52.6	-37.1	-178.5	-155	31.7	0	0	0	111.2	T219 T223 S224 I225	T219-N221 PolarHBondContact O-N 3.2Å; N221-T223 PolarHBondContact O-N 3.48Å; N221-S224 PolarHBondContact O-N 2.86Å; N221-S224 PolarHBondContact O-OG 2.93Å; N221-I225 VanDerWaalsContact O-CG1 3.3Å; N221-I225 WeakPolarHBondContact O-CG1 3.45Å; N221-I225 PolarHBondContact O-N 3.1Å; N221-I225 VanDerWaalsContact O-N 3.09Å
222	D	65.6	Low	73.4	Confident	126 Å²	126	87.3 Å²	87.3	67%	0.674	46%	0.464	S	S	*	.	H	α-helix	trans	-62.6	-38	-178.8	-60.5	-25.5	0	0	0	113.6	N220 H226	N220-D222 PolarHBondContact O-N 3.25Å; N220-D222 VanDerWaalsContact O-N 3.08Å; D222-H226 WeakPolarHBondContact O-CB 3.4Å; D222-H226 PolarHBondContact O-N 3.13Å
223	T	71.8	Confident	74.4	Confident	65 Å²	65	86 Å²	86	40%	0.399	46%	0.459	S	S	.	.	H	α-helix	trans	-70.6	-42.4	179.2	61.7	0	0	0	0	110.6	N220 N221 I225 H226 D227	N220-T223 PolarHBondContact O-N 3.33Å; N220-T223 VanDerWaalsContact O-N 3.07Å; N220-T223 PolarHBondContact O-OG1 3.27Å; N221-T223 PolarHBondContact O-N 3.48Å; T223-I225 VanDerWaalsContact C-N 3.3Å; T223-I225 PolarHBondContact O-N 3.31Å; T223-H226 PolarHBondContact O-N 3.06Å; T223-D227 VanDerWaalsContact O-CG 3.25Å; T223-D227 PolarHBondContact O-N 3.07Å
224	S	71.4	Confident	75.3	Confident	1 Å²	1	83.9 Å²	83.9	1%	0.007	44%	0.438	C	S	.	.	H	α-helix	trans	-63.2	-35.5	178.1	70	0	0	0	0	113.2	N220 N221 A228	N220-S224 PolarHBondContact O-N 3.48Å; N221-S224 PolarHBondContact O-N 2.86Å; N221-S224 PolarHBondContact O-OG 2.93Å; S224-A228 WeakPolarHBondContact O-CB 3.43Å; S224-A228 PolarHBondContact O-N 3.46Å; S224-A228 VanDerWaalsContact O-N 3.11Å
225	I	74.8	Confident	76.5	Confident	77 Å²	77	79 Å²	79	40%	0.395	41%	0.411	S	S	.	.	H	α-helix	trans	-71.8	-44.3	176.4	-67.1	166.1	0	0	0	110.1	A204 N221 T223 D227 A228 E229	A204-I225 HydrophobicContact CB-CG1 4.42Å; N221-I225 VanDerWaalsContact O-CG1 3.3Å; N221-I225 WeakPolarHBondContact O-CG1 3.45Å; N221-I225 PolarHBondContact O-N 3.1Å; N221-I225 VanDerWaalsContact O-N 3.09Å; T223-I225 VanDerWaalsContact C-N 3.3Å; T223-I225 PolarHBondContact O-N 3.31Å; I225-D227 VanDerWaalsContact C-N 3.34Å; I225-D227 PolarHBondContact O-N 3.39Å; I225-A228 PolarHBondContact O-N 3.05Å; I225-E229 WeakPolarHBondContact O-CB 3.45Å; I225-E229 PolarHBondContact O-N 2.98Å
226	H	78.9	Confident	78	Confident	124 Å²	124	71 Å²	71	57%	0.574	38%	0.38	S	S	*	.	H	α-helix	trans	-61.3	-42.6	178.4	-175.4	-83	0	0	0	112.1	D222 T223 E229	D222-H226 WeakPolarHBondContact O-CB 3.4Å; D222-H226 PolarHBondContact O-N 3.13Å; T223-H226 PolarHBondContact O-N 3.06Å; H226-E229 WeakPolarHBondContact O-CB 3.31Å; H226-E229 PolarHBondContact O-N 3.09Å
227	D	80.1	Confident	79.6	Confident	63 Å²	63	67.8 Å²	67.8	34%	0.337	35%	0.345	S	S	.	.	H	α-helix	trans	-67.2	-37.6	177	-65.8	-18.6	0	0	0	111.8	I207 T223 I225 E229	I207-D227 HydrophobicContact CD1-CB 4.33Å; T223-D227 VanDerWaalsContact O-CG 3.25Å; T223-D227 PolarHBondContact O-N 3.07Å; I225-D227 VanDerWaalsContact C-N 3.34Å; I225-D227 PolarHBondContact O-N 3.39Å; D227-E229 VanDerWaalsContact C-N 3.35Å
228	A	84.9	Confident	81.2	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.6	-36.9	175	0	0	0	0	0	112.3	I200 K203 A204 I207 S224 I225 Q230 F231	I200-A228 VanDerWaalsContact CD1-O 3.26Å; I200-A228 WeakPolarHBondContact CD1-O 3.39Å; I200-A228 HydrophobicContact CG2-CB 4.15Å; K203-A228 HydrophobicContact CB-CB 4.39Å; K203-A228 HydrophobicContact CG-CB 4.3Å; A204-A228 HydrophobicContact CB-CB 3.68Å; I207-A228 HydrophobicContact CD1-CB 4.17Å; S224-A228 WeakPolarHBondContact O-CB 3.43Å; S224-A228 PolarHBondContact O-N 3.46Å; S224-A228 VanDerWaalsContact O-N 3.11Å; I225-A228 PolarHBondContact O-N 3.05Å; A228-Q230 PolarHBondContact O-N 2.88Å; A228-F231 WeakPolarHBondContact O-CB 3.5Å; A228-F231 PolarHBondContact O-N 3.08Å
229	E	86.1	Confident	82.9	Confident	74 Å²	74	54.2 Å²	54.2	35%	0.346	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-30.3	-178.1	-167.8	69.7	174.2	0	0	112.5	I225 H226 D227 F231 R232	I225-E229 WeakPolarHBondContact O-CB 3.45Å; I225-E229 PolarHBondContact O-N 2.98Å; H226-E229 WeakPolarHBondContact O-CB 3.31Å; H226-E229 PolarHBondContact O-N 3.09Å; D227-E229 VanDerWaalsContact C-N 3.35Å; E229-F231 PolarHBondContact O-N 3.24Å; E229-R232 VanDerWaalsContact O-CB 3.24Å; E229-R232 WeakPolarHBondContact O-CB 3.39Å; E229-R232 PolarHBondContact O-N 3.08Å; E229-R232 IonicContact OE1-CZ 3.61Å; E229-R232 IonicContact OE1-NE 3.59Å; E229-R232 PolarHBondContact OE1-NE 3.44Å; E229-R232 IonicContact OE1-NH1 2.73Å; E229-R232 PolarHBondContact OE1-NH1 2.69Å; E229-R232 IonicContact OE1-NH2 3.9Å; E229-R232 PolarHBondContact OE1-NH2 3.26Å; E229-R232 IonicContact OE2-CZ 3.13Å; E229-R232 IonicContact OE2-NE 2.92Å; E229-R232 PolarHBondContact OE2-NE 2.72Å; E229-R232 IonicContact OE2-NH1 2.77Å; E229-R232 IonicContact OE2-NH2 2.67Å; E229-R232 PolarHBondContact OE2-NH2 3.23Å
230	Q	87.7	Confident	84.5	Confident	129 Å²	129	52.6 Å²	52.6	60%	0.603	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.3	175.7	-63.4	-175.3	-6	0	0	113	A228 R232	A228-Q230 PolarHBondContact O-N 2.88Å; Q230-R232 VanDerWaalsContact C-N 3.31Å; Q230-R232 PolarHBondContact O-N 2.94Å
231	F	90.9	Very high	86.2	Confident	75 Å²	75	48.9 Å²	48.9	33%	0.329	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.1	178.3	-68.6	-83.4	0	0	0	113.6	I200 K203 A228 E229 I233 P234 Y235	I200-F231 HydrophobicContact CD1-CB 4.23Å; K203-F231 HydrophobicContact CG-CD2 4.37Å; A228-F231 WeakPolarHBondContact O-CB 3.5Å; A228-F231 PolarHBondContact O-N 3.08Å; E229-F231 PolarHBondContact O-N 3.24Å; F231-I233 PolarHBondContact O-N 3.11Å; F231-P234 WeakPolarHBondContact O-CD 3.45Å; F231-Y235 HydrophobicContact CB-CD2 3.92Å; F231-Y235 HydrophobicContact CB-CE2 3.95Å; F231-Y235 VanDerWaalsContact O-CD2 3.24Å; F231-Y235 WeakPolarHBondContact O-CD2 3.36Å; F231-Y235 PolarHBondContact O-N 3.39Å
232	R	93.1	Very high	87.9	Confident	42 Å²	42	44.8 Å²	44.8	16%	0.158	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-47.4	-174.2	-174.1	176.8	-74	173.2	0.7	112.8	T154 L155 L196 I200 E229 Q230 Y235 A236	T154-R232 WeakPolarHBondContact O-CD 3.49Å; T154-R232 PolarHBondContact O-NH1 3Å; T154-R232 VanDerWaalsContact O-NH1 3.08Å; L155-R232 HydrophobicContact CD2-CG 4.18Å; L196-R232 HydrophobicContact CB-CG 4.32Å; L196-R232 HydrophobicContact CD1-CG 4.07Å; L196-R232 HydrophobicContact CD2-CG 4.21Å; L196-R232 WeakPolarHBondContact CD2-O 3.4Å; L196-R232 HydrophobicContact CG-CG 4.43Å; I200-R232 HydrophobicContact CD1-CB 3.83Å; I200-R232 HydrophobicContact CG1-CB 4.13Å; I200-R232 HydrophobicContact CG1-CG 4.36Å; E229-R232 VanDerWaalsContact O-CB 3.24Å; E229-R232 WeakPolarHBondContact O-CB 3.39Å; E229-R232 PolarHBondContact O-N 3.08Å; E229-R232 IonicContact OE1-CZ 3.61Å; E229-R232 IonicContact OE1-NE 3.59Å; E229-R232 PolarHBondContact OE1-NE 3.44Å; E229-R232 IonicContact OE1-NH1 2.73Å; E229-R232 PolarHBondContact OE1-NH1 2.69Å; E229-R232 IonicContact OE1-NH2 3.9Å; E229-R232 PolarHBondContact OE1-NH2 3.26Å; E229-R232 IonicContact OE2-CZ 3.13Å; E229-R232 IonicContact OE2-NE 2.92Å; E229-R232 PolarHBondContact OE2-NE 2.72Å; E229-R232 IonicContact OE2-NH1 2.77Å; E229-R232 IonicContact OE2-NH2 2.67Å; E229-R232 PolarHBondContact OE2-NH2 3.23Å; Q230-R232 VanDerWaalsContact C-N 3.31Å; Q230-R232 PolarHBondContact O-N 2.94Å; R232-Y235 PolarHBondContact O-N 3.47Å; R232-A236 PolarHBondContact O-N 3.1Å; R232-A236 VanDerWaalsContact O-N 3.1Å
233	I	93.1	Very high	89.4	Confident	50 Å²	50	38.9 Å²	38.9	26%	0.256	19%	0.192	S	C	.	.	H	α-helix	trans	-63.8	-51.8	179.2	-67	154.7	0	0	0	110.5	L155 Y159 F231 Y235 A236 L237	L155-I233 HydrophobicContact CD2-CG1 4.28Å; Y159-I233 HydrophobicContact CE1-CG1 4.32Å; Y159-I233 HydrophobicContact CE1-CG2 3.67Å; Y159-I233 HydrophobicContact CE2-CD1 3.99Å; Y159-I233 HydrophobicContact CE2-CG1 4.11Å; Y159-I233 VanDerWaalsContact OH-CD1 3.29Å; Y159-I233 WeakPolarHBondContact OH-CD1 3.41Å; F231-I233 PolarHBondContact O-N 3.11Å; I233-Y235 VanDerWaalsContact C-N 3.33Å; I233-Y235 PolarHBondContact O-N 2.95Å; I233-A236 WeakPolarHBondContact O-CB 3.14Å; I233-A236 PolarHBondContact O-N 3.29Å; I233-L237 HydrophobicContact CG2-CD1 4.22Å; I233-L237 HydrophobicContact CG2-CG 4.33Å; I233-L237 WeakPolarHBondContact O-CG 3.23Å; I233-L237 PolarHBondContact O-N 3.26Å
234	P	94.8	Very high	90.6	Very high	41 Å²	41	35.8 Å²	35.8	27%	0.266	17%	0.173	S	C	.	.	H	α-helix	trans	-51.2	-44.6	174.6	-30.8	33.7	0	0	0	114.9	F231 A236 L237 A238 L393	F231-P234 WeakPolarHBondContact O-CD 3.45Å; P234-A236 VanDerWaalsContact C-N 3.34Å; P234-A236 PolarHBondContact O-N 3.1Å; P234-L237 PolarHBondContact O-N 3.41Å; P234-A238 VanDerWaalsContact O-CB 3.28Å; P234-A238 WeakPolarHBondContact O-CB 3.41Å; P234-A238 PolarHBondContact O-N 3.18Å; P234-L393 HydrophobicContact CB-CD1 4.08Å
235	Y	95.7	Very high	91.8	Very high	23 Å²	23	38.3 Å²	38.3	9%	0.09	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-37.5	176.8	-86.9	-70.9	0	0	0	112.6	F195 V199 I200 F231 R232 I233 A238 L239 L393	F195-Y235 HydrophobicContact CE1-CD1 4.48Å; F195-Y235 HydrophobicContact CZ-CD1 4.13Å; V199-Y235 HydrophobicContact CG1-CD1 3.74Å; V199-Y235 HydrophobicContact CG1-CD2 3.79Å; V199-Y235 HydrophobicContact CG1-CE1 3.48Å; V199-Y235 VanDerWaalsContact CG1-CE1 3.48Å; V199-Y235 HydrophobicContact CG1-CE2 3.57Å; V199-Y235 HydrophobicContact CG1-CG 3.9Å; V199-Y235 VanDerWaalsContact CG1-CZ 3.4Å; I200-Y235 HydrophobicContact CD1-CD2 4.48Å; F231-Y235 HydrophobicContact CB-CD2 3.92Å; F231-Y235 HydrophobicContact CB-CE2 3.95Å; F231-Y235 VanDerWaalsContact O-CD2 3.24Å; F231-Y235 WeakPolarHBondContact O-CD2 3.36Å; F231-Y235 PolarHBondContact O-N 3.39Å; R232-Y235 PolarHBondContact O-N 3.47Å; I233-Y235 VanDerWaalsContact C-N 3.33Å; I233-Y235 PolarHBondContact O-N 2.95Å; Y235-A238 PolarHBondContact O-N 3.21Å; Y235-L239 WeakPolarHBondContact O-CB 3.43Å; Y235-L239 PolarHBondContact O-N 3.32Å; Y235-L393 HydrophobicContact CD1-CB 3.97Å; Y235-L393 HydrophobicContact CD1-CD1 4.44Å; Y235-L393 HydrophobicContact CE1-CB 3.65Å; Y235-L393 HydrophobicContact CE1-CD1 4.48Å; Y235-L393 HydrophobicContact CE1-CD2 4.35Å; Y235-L393 HydrophobicContact CE1-CG 4.38Å
236	A	96.1	Very high	92.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-42.6	178.4	0	0	0	0	0	112	L155 L196 R232 I233 P234 L239 G240	L155-A236 HydrophobicContact CD1-CB 3.84Å; L155-A236 HydrophobicContact CD2-CB 3.97Å; L155-A236 HydrophobicContact CG-CB 4.45Å; L196-A236 HydrophobicContact CD1-CB 3.88Å; L196-A236 HydrophobicContact CD2-CB 4.08Å; R232-A236 PolarHBondContact O-N 3.1Å; R232-A236 VanDerWaalsContact O-N 3.1Å; I233-A236 WeakPolarHBondContact O-CB 3.14Å; I233-A236 PolarHBondContact O-N 3.29Å; P234-A236 VanDerWaalsContact C-N 3.34Å; P234-A236 PolarHBondContact O-N 3.1Å; A236-L239 PolarHBondContact O-N 2.85Å; A236-G240 PolarHBondContact O-N 3.07Å
237	L	95.8	Very high	93.6	Very high	4 Å²	4	30 Å²	30	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-69.1	-41.2	177.6	-56.4	-171.7	0	0	0	111.1	I233 P234 L239 G240 F241 P389 H447	I233-L237 HydrophobicContact CG2-CD1 4.22Å; I233-L237 HydrophobicContact CG2-CG 4.33Å; I233-L237 WeakPolarHBondContact O-CG 3.23Å; I233-L237 PolarHBondContact O-N 3.26Å; P234-L237 PolarHBondContact O-N 3.41Å; L237-L239 VanDerWaalsContact C-N 3.32Å; L237-L239 PolarHBondContact O-N 3.44Å; L237-G240 PolarHBondContact O-N 2.83Å; L237-F241 WeakPolarHBondContact O-CB 3.39Å; L237-F241 PolarHBondContact O-N 3.39Å; L237-P389 HydrophobicContact CB-CB 4.26Å; L237-P389 HydrophobicContact CB-CG 4.45Å; L237-H447 VanDerWaalsContact CD2-C 3.49Å; L237-H447 VanDerWaalsContact CD2-CA 3.48Å; L237-H447 HydrophobicContact CD2-CB 4.42Å
238	A	96.7	Very high	94.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-39.2	175.9	0	0	0	0	0	111.9	P234 Y235 S242 N390 L393 M394	P234-A238 VanDerWaalsContact O-CB 3.28Å; P234-A238 WeakPolarHBondContact O-CB 3.41Å; P234-A238 PolarHBondContact O-N 3.18Å; Y235-A238 PolarHBondContact O-N 3.21Å; A238-S242 VanDerWaalsContact O-CB 3.27Å; A238-S242 WeakPolarHBondContact O-CB 3.05Å; A238-S242 PolarHBondContact O-N 2.92Å; A238-S242 PolarHBondContact O-OG 3.11Å; A238-N390 WeakPolarHBondContact CB-O 3.36Å; A238-L393 HydrophobicContact CB-CB 4.39Å; A238-M394 HydrophobicContact CB-CG 3.72Å; A238-M394 HydrophobicContact CB-SD 4.14Å
239	L	96.6	Very high	94.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-47.2	171.5	-179.9	69.3	0	0	0	111.1	T192 F195 Y235 A236 L237 F241 S242 V243 M394 P450	T192-L239 HydrophobicContact CG2-CD2 4.2Å; F195-L239 HydrophobicContact CB-CD2 4.49Å; F195-L239 HydrophobicContact CD1-CB 4.37Å; F195-L239 HydrophobicContact CD1-CD2 3.67Å; F195-L239 HydrophobicContact CD1-CG 4.41Å; F195-L239 HydrophobicContact CE1-CB 4.01Å; F195-L239 HydrophobicContact CE1-CD2 4.17Å; F195-L239 HydrophobicContact CE1-CG 4.46Å; F195-L239 HydrophobicContact CG-CD2 4.2Å; Y235-L239 WeakPolarHBondContact O-CB 3.43Å; Y235-L239 PolarHBondContact O-N 3.32Å; A236-L239 PolarHBondContact O-N 2.85Å; L237-L239 VanDerWaalsContact C-N 3.32Å; L237-L239 PolarHBondContact O-N 3.44Å; L239-F241 PolarHBondContact O-N 3.19Å; L239-S242 PolarHBondContact O-N 3.24Å; L239-V243 HydrophobicContact CD1-CG2 4.06Å; L239-V243 HydrophobicContact CG-CG2 4.25Å; L239-V243 VanDerWaalsContact O-CB 3.29Å; L239-V243 WeakPolarHBondContact O-CB 3.37Å; L239-V243 VanDerWaalsContact O-CG2 3.24Å; L239-V243 WeakPolarHBondContact O-CG2 3.17Å; L239-V243 PolarHBondContact O-N 3.27Å; L239-M394 HydrophobicContact CB-CE 4.18Å; L239-M394 HydrophobicContact CB-SD 4.24Å; L239-M394 HydrophobicContact CD1-CE 3.6Å; L239-P450 HydrophobicContact CD2-CG 3.95Å; L239-P450 HydrophobicContact CG-CG 3.86Å
240	G	96.7	Very high	95.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-52.6	-50.8	175.1	0	0	0	0	0	112.9	A236 L237 G244	A236-G240 PolarHBondContact O-N 3.07Å; L237-G240 PolarHBondContact O-N 2.83Å; G240-G244 PolarHBondContact O-N 2.87Å
241	F	97.6	Very high	95.2	Very high	39 Å²	39	25.6 Å²	25.6	17%	0.171	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-47.8	178.5	-172.3	-118	0	0	0	112.2	L237 L239 G244 I245 P389 I391 A441 S444 F445	L237-F241 WeakPolarHBondContact O-CB 3.39Å; L237-F241 PolarHBondContact O-N 3.39Å; L239-F241 PolarHBondContact O-N 3.19Å; F241-G244 WeakPolarHBondContact O-CA 3.32Å; F241-G244 PolarHBondContact O-N 2.84Å; F241-G244 VanDerWaalsContact O-N 3.16Å; F241-I245 HydrophobicContact CD1-CD1 3.78Å; F241-I245 HydrophobicContact CE1-CD1 3.36Å; F241-I245 HydrophobicContact CE1-CG1 4.43Å; F241-I245 HydrophobicContact CE2-CD1 4.32Å; F241-I245 HydrophobicContact CG-CD1 4.44Å; F241-I245 HydrophobicContact CZ-CD1 3.67Å; F241-I245 HydrophobicContact CZ-CG1 4.39Å; F241-I245 PolarHBondContact O-N 3.4Å; F241-P389 HydrophobicContact CB-CB 3.71Å; F241-P389 HydrophobicContact CB-CG 3.9Å; F241-P389 HydrophobicContact CD1-CB 4.43Å; F241-P389 HydrophobicContact CD2-CG 4.36Å; F241-P389 HydrophobicContact CG-CB 4.09Å; F241-P389 HydrophobicContact CG-CG 4.14Å; F241-I391 HydrophobicContact CD1-CB 4.29Å; F241-I391 HydrophobicContact CD1-CD1 4.09Å; F241-I391 HydrophobicContact CD1-CG1 4.45Å; F241-I391 HydrophobicContact CE1-CB 4.41Å; F241-I391 HydrophobicContact CE1-CD1 3.98Å; F241-A441 HydrophobicContact CD2-CB 4.14Å; F241-A441 HydrophobicContact CE2-CB 4.27Å; F241-S444 WeakPolarHBondContact CA-OG 3.28Å; F241-S444 WeakPolarHBondContact CB-OG 3.44Å; F241-S444 WeakPolarHBondContact CD2-OG 3.28Å; F241-F445 AromaticContact CD2-CE2 3.87Å; F241-F445 HydrophobicContact CD2-CE2 3.87Å; F241-F445 HydrophobicContact CD2-CZ 4.33Å; F241-F445 AromaticContact CE2-CE2 3.54Å; F241-F445 HydrophobicContact CE2-CE2 3.54Å; F241-F445 AromaticContact CE2-CZ 3.74Å; F241-F445 HydrophobicContact CE2-CZ 3.74Å; F241-F445 HydrophobicContact CZ-CZ 4.33Å
242	S	96.8	Very high	95.1	Very high	6 Å²	6	26.1 Å²	26.1	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-67.9	-38.8	-177.1	-55.6	0	0	0	0	111.9	A238 L239 G244 I245 V246 M394 T401	A238-S242 VanDerWaalsContact O-CB 3.27Å; A238-S242 WeakPolarHBondContact O-CB 3.05Å; A238-S242 PolarHBondContact O-N 2.92Å; A238-S242 PolarHBondContact O-OG 3.11Å; L239-S242 PolarHBondContact O-N 3.24Å; S242-G244 VanDerWaalsContact C-N 3.3Å; S242-G244 PolarHBondContact O-N 3.5Å; S242-I245 PolarHBondContact O-N 3.2Å; S242-V246 WeakPolarHBondContact O-CG2 3.25Å; S242-V246 PolarHBondContact O-N 2.62Å; S242-M394 WeakPolarHBondContact OG-CG 3.32Å; S242-T401 VanDerWaalsContact CB-CG2 3.44Å; S242-T401 WeakPolarHBondContact O-CG2 3.3Å
243	V	96.9	Very high	95	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-43.8	171.6	163.2	0	0	0	0	110.4	L239 V246 Q247 T401 A405 P450	L239-V243 HydrophobicContact CD1-CG2 4.06Å; L239-V243 HydrophobicContact CG-CG2 4.25Å; L239-V243 VanDerWaalsContact O-CB 3.29Å; L239-V243 WeakPolarHBondContact O-CB 3.37Å; L239-V243 VanDerWaalsContact O-CG2 3.24Å; L239-V243 WeakPolarHBondContact O-CG2 3.17Å; L239-V243 PolarHBondContact O-N 3.27Å; V243-V246 PolarHBondContact O-N 2.88Å; V243-Q247 WeakPolarHBondContact O-CB 3.47Å; V243-Q247 WeakPolarHBondContact O-CG 3.38Å; V243-Q247 PolarHBondContact O-N 3.39Å; V243-T401 HydrophobicContact CG2-CG2 4.22Å; V243-A405 HydrophobicContact CG1-CB 4.13Å; V243-P450 HydrophobicContact CG1-CB 4.42Å; V243-P450 HydrophobicContact CG2-CG 4.31Å
244	G	97.5	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-46.7	175.3	0	0	0	0	0	112.9	G240 F241 S242 V246 Q247 F248 G437	G240-G244 PolarHBondContact O-N 2.87Å; F241-G244 WeakPolarHBondContact O-CA 3.32Å; F241-G244 PolarHBondContact O-N 2.84Å; F241-G244 VanDerWaalsContact O-N 3.16Å; S242-G244 VanDerWaalsContact C-N 3.3Å; S242-G244 PolarHBondContact O-N 3.5Å; G244-V246 PolarHBondContact O-N 3.27Å; G244-Q247 PolarHBondContact O-N 3.49Å; G244-F248 VanDerWaalsContact O-CB 3.3Å; G244-F248 WeakPolarHBondContact O-CB 3.34Å; G244-F248 PolarHBondContact O-N 3.06Å; G244-G437 CarbonylContact C-O 3.56Å; G244-G437 WeakPolarHBondContact CA-O 3.31Å; G244-G437 CarbonylContact O-C 3.39Å; G244-G437 WeakPolarHBondContact O-CA 3.4Å
245	I	96.7	Very high	94.3	Very high	53 Å²	53	34.6 Å²	34.6	27%	0.272	16%	0.164	S	C	.	.	H	α-helix	trans	-60.4	-47.9	176.4	-71.1	170.4	0	0	0	111.1	F241 S242 Q247 F248 L249 I391	F241-I245 HydrophobicContact CD1-CD1 3.78Å; F241-I245 HydrophobicContact CE1-CD1 3.36Å; F241-I245 HydrophobicContact CE1-CG1 4.43Å; F241-I245 HydrophobicContact CE2-CD1 4.32Å; F241-I245 HydrophobicContact CG-CD1 4.44Å; F241-I245 HydrophobicContact CZ-CD1 3.67Å; F241-I245 HydrophobicContact CZ-CG1 4.39Å; F241-I245 PolarHBondContact O-N 3.4Å; S242-I245 PolarHBondContact O-N 3.2Å; I245-Q247 PolarHBondContact O-N 2.96Å; I245-F248 PolarHBondContact O-N 2.84Å; I245-L249 HydrophobicContact CG2-CD1 3.86Å; I245-L249 HydrophobicContact CG2-CG 4.25Å; I245-L249 WeakPolarHBondContact O-CB 3.37Å; I245-L249 VanDerWaalsContact O-CG 3.32Å; I245-L249 WeakPolarHBondContact O-CG 3.24Å; I245-L249 PolarHBondContact O-N 2.81Å; I245-I391 HydrophobicContact CD1-CD1 3.64Å
246	V	95.6	Very high	93.7	Very high	26 Å²	26	33.7 Å²	33.7	16%	0.158	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-45.8	-179.6	171.6	0	0	0	0	110.9	S242 V243 G244 F248 L249 M250 T401 A405	S242-V246 WeakPolarHBondContact O-CG2 3.25Å; S242-V246 PolarHBondContact O-N 2.62Å; V243-V246 PolarHBondContact O-N 2.88Å; G244-V246 PolarHBondContact O-N 3.27Å; V246-F248 VanDerWaalsContact C-N 3.34Å; V246-F248 PolarHBondContact O-N 2.89Å; V246-L249 PolarHBondContact O-N 3.41Å; V246-M250 HydrophobicContact CG1-CG 4.36Å; V246-M250 HydrophobicContact CG1-SD 3.99Å; V246-M250 WeakPolarHBondContact O-CB 3.19Å; V246-M250 WeakPolarHBondContact O-CG 3.07Å; V246-M250 PolarHBondContact O-N 3.04Å; V246-T401 HydrophobicContact CG2-CG2 3.82Å; V246-A405 HydrophobicContact CB-CB 3.95Å; V246-A405 HydrophobicContact CG1-CB 3.66Å
247	Q	95.9	Very high	93	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-40.3	176.7	-72.7	173.6	-20.4	0	0	112.1	V243 G244 I245 M250 G251 A405 L433 F436 N440	V243-Q247 WeakPolarHBondContact O-CB 3.47Å; V243-Q247 WeakPolarHBondContact O-CG 3.38Å; V243-Q247 PolarHBondContact O-N 3.39Å; G244-Q247 PolarHBondContact O-N 3.49Å; I245-Q247 PolarHBondContact O-N 2.96Å; Q247-M250 PolarHBondContact O-N 3.06Å; Q247-G251 PolarHBondContact O-N 3.22Å; Q247-A405 HydrophobicContact CG-CB 3.87Å; Q247-A405 PolarHBondContact NE2-O 2.91Å; Q247-L433 CarbonylContact C-O 3.32Å; Q247-F436 PolarHBondContact OE1-O 2.99Å; Q247-N440 PolarHBondContact OE1-ND2 3.08Å
248	F	95.5	Very high	92.3	Very high	81 Å²	81	39.2 Å²	39.2	36%	0.355	19%	0.194	S	C	.	.	H	α-helix	trans	-62.5	-47.1	175.7	178.8	-102	0	0	0	111.6	G244 I245 V246 G251 L252 I434 V438	G244-F248 VanDerWaalsContact O-CB 3.3Å; G244-F248 WeakPolarHBondContact O-CB 3.34Å; G244-F248 PolarHBondContact O-N 3.06Å; I245-F248 PolarHBondContact O-N 2.84Å; V246-F248 VanDerWaalsContact C-N 3.34Å; V246-F248 PolarHBondContact O-N 2.89Å; F248-G251 WeakPolarHBondContact O-CA 3.19Å; F248-G251 PolarHBondContact O-N 3.33Å; F248-G251 VanDerWaalsContact O-N 3.14Å; F248-L252 PolarHBondContact O-N 2.85Å; F248-I434 HydrophobicContact CD2-CG2 4.12Å; F248-I434 HydrophobicContact CE2-CG2 4.09Å; F248-V438 HydrophobicContact CD2-CG2 3.91Å; F248-V438 HydrophobicContact CE2-CG2 4.16Å
249	L	94.5	Very high	91.4	Very high	73 Å²	73	39.5 Å²	39.5	38%	0.382	20%	0.195	S	C	.	.	H	α-helix	trans	-62	-43.1	176	-70.4	175.2	0	0	0	111.7	I245 V246 G251 L252 F253	I245-L249 HydrophobicContact CG2-CD1 3.86Å; I245-L249 HydrophobicContact CG2-CG 4.25Å; I245-L249 WeakPolarHBondContact O-CB 3.37Å; I245-L249 VanDerWaalsContact O-CG 3.32Å; I245-L249 WeakPolarHBondContact O-CG 3.24Å; I245-L249 PolarHBondContact O-N 2.81Å; V246-L249 PolarHBondContact O-N 3.41Å; L249-G251 VanDerWaalsContact C-N 3.26Å; L249-G251 PolarHBondContact O-N 3.47Å; L249-L252 PolarHBondContact O-N 3.47Å; L249-F253 HydrophobicContact CB-CE2 4.46Å; L249-F253 HydrophobicContact CD2-CE2 4.49Å; L249-F253 WeakPolarHBondContact O-CD2 3.42Å; L249-F253 PolarHBondContact O-N 3.48Å
250	M	92.3	Very high	90.7	Very high	18 Å²	18	48.4 Å²	48.4	9%	0.089	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-39.3	173.6	-73.3	174.2	72.5	0	0	111.8	V246 Q247 R254 L255 V406 L433	V246-M250 HydrophobicContact CG1-CG 4.36Å; V246-M250 HydrophobicContact CG1-SD 3.99Å; V246-M250 WeakPolarHBondContact O-CB 3.19Å; V246-M250 WeakPolarHBondContact O-CG 3.07Å; V246-M250 PolarHBondContact O-N 3.04Å; Q247-M250 PolarHBondContact O-N 3.06Å; M250-R254 PolarHBondContact O-N 3.36Å; M250-R254 VanDerWaalsContact O-N 3.16Å; M250-L255 HydrophobicContact CB-CB 4.2Å; M250-L255 HydrophobicContact CB-CD1 4.31Å; M250-L255 HydrophobicContact CG-CD1 4.04Å; M250-L255 WeakPolarHBondContact O-CB 3.46Å; M250-L255 PolarHBondContact O-N 3.38Å; M250-V406 HydrophobicContact CE-CG2 4.08Å; M250-V406 HydrophobicContact SD-CG2 4.26Å; M250-L433 HydrophobicContact CB-CD1 4.36Å; M250-L433 HydrophobicContact CB-CD2 3.77Å; M250-L433 HydrophobicContact CE-CD2 4.16Å; M250-L433 HydrophobicContact SD-CD2 4.43Å
251	G	89.7	Confident	90	Very high	3 Å²	3	55.1 Å²	55.1	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-44.3	174.3	0	0	0	0	0	112.8	Q247 F248 L249 F253 R254 L433	Q247-G251 PolarHBondContact O-N 3.22Å; F248-G251 WeakPolarHBondContact O-CA 3.19Å; F248-G251 PolarHBondContact O-N 3.33Å; F248-G251 VanDerWaalsContact O-N 3.14Å; L249-G251 VanDerWaalsContact C-N 3.26Å; L249-G251 PolarHBondContact O-N 3.47Å; G251-F253 PolarHBondContact O-N 3.34Å; G251-R254 PolarHBondContact O-N 2.79Å; G251-L433 VanDerWaalsContact CA-CB 3.42Å
252	L	89.9	Confident	89.5	Confident	86 Å²	86	54.9 Å²	54.9	45%	0.45	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-43.9	177.7	-173.2	65.4	0	0	0	111.8	F248 L249 R254	F248-L252 PolarHBondContact O-N 2.85Å; L249-L252 PolarHBondContact O-N 3.47Å; L252-R254 PolarHBondContact O-N 2.98Å
253	F	91.5	Very high	89.1	Confident	131 Å²	131	56.1 Å²	56.1	58%	0.575	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	4.9	175.3	-65.2	-56.6	0	0	0	114.1	L249 G251 L255	L249-F253 HydrophobicContact CB-CE2 4.46Å; L249-F253 HydrophobicContact CD2-CE2 4.49Å; L249-F253 WeakPolarHBondContact O-CD2 3.42Å; L249-F253 PolarHBondContact O-N 3.48Å; G251-F253 PolarHBondContact O-N 3.34Å; F253-L255 HydrophobicContact CB-CD1 4.37Å; F253-L255 HydrophobicContact CB-CD2 4.45Å; F253-L255 HydrophobicContact CB-CG 3.96Å; F253-L255 PolarHBondContact O-N 2.83Å
254	R	87	Confident	88.7	Confident	119 Å²	119	61.1 Å²	61.1	45%	0.449	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	36.6	177.9	-54.1	179.9	71.1	177.6	1.4	113.5	M250 G251 L252 G256 N430	M250-R254 PolarHBondContact O-N 3.36Å; M250-R254 VanDerWaalsContact O-N 3.16Å; G251-R254 PolarHBondContact O-N 2.79Å; L252-R254 PolarHBondContact O-N 2.98Å; R254-G256 PolarHBondContact O-N 3.25Å; R254-N430 VanDerWaalsContact C-OD1 3.24Å; R254-N430 VanDerWaalsContact CA-OD1 3.28Å; R254-N430 WeakPolarHBondContact CA-OD1 3.28Å; R254-N430 PolarHBondContact O-OD1 2.64Å
255	L	86.3	Confident	88.5	Confident	61 Å²	61	61.8 Å²	61.8	32%	0.319	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-74.1	12.7	178.5	-61.9	-176.5	0	0	0	113.5	M250 F253 S257 L258	M250-L255 HydrophobicContact CB-CB 4.2Å; M250-L255 HydrophobicContact CB-CD1 4.31Å; M250-L255 HydrophobicContact CG-CD1 4.04Å; M250-L255 WeakPolarHBondContact O-CB 3.46Å; M250-L255 PolarHBondContact O-N 3.38Å; F253-L255 HydrophobicContact CB-CD1 4.37Å; F253-L255 HydrophobicContact CB-CD2 4.45Å; F253-L255 HydrophobicContact CB-CG 3.96Å; F253-L255 PolarHBondContact O-N 2.83Å; L255-S257 PolarHBondContact O-N 3.48Å; L255-L258 HydrophobicContact CB-CD1 3.86Å; L255-L258 HydrophobicContact CB-CG 4.16Å; L255-L258 HydrophobicContact CD1-CD1 4.1Å; L255-L258 HydrophobicContact CD2-CD1 4.23Å; L255-L258 HydrophobicContact CG-CD1 4.28Å; L255-L258 VanDerWaalsContact O-CB 3.3Å; L255-L258 WeakPolarHBondContact O-CB 3.4Å; L255-L258 WeakPolarHBondContact O-CG 3.4Å; L255-L258 PolarHBondContact O-N 2.96Å
256	G	82.3	Confident	88.3	Confident	4 Å²	4	59.3 Å²	59.3	4%	0.041	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-60.9	-16.6	174.8	0	0	0	0	0	114.1	R254 L258 N430	R254-G256 PolarHBondContact O-N 3.25Å; G256-L258 VanDerWaalsContact C-N 3.29Å; G256-N430 WeakPolarHBondContact CA-OD1 3.34Å; G256-N430 PolarHBondContact N-OD1 3.39Å
257	S	81.8	Confident	87.9	Confident	47 Å²	47	59.6 Å²	59.6	33%	0.329	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-66.3	-28.2	170.1	54.9	0	0	0	0	113.1	L255 I259 R260	L255-S257 PolarHBondContact O-N 3.48Å; S257-I259 PolarHBondContact O-N 3.14Å; S257-R260 VanDerWaalsContact O-CB 3.29Å; S257-R260 WeakPolarHBondContact O-CB 3.42Å; S257-R260 PolarHBondContact O-N 3.1Å; S257-R260 VanDerWaalsContact O-N 3.08Å; S257-R260 PolarHBondContact O-NE 3.43Å
258	L	80.9	Confident	87.6	Confident	73 Å²	73	59.7 Å²	59.7	38%	0.382	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-64.6	-29.2	-178.7	-64.3	-177	0	0	0	112.4	L255 G256 R260 Y261	L255-L258 HydrophobicContact CB-CD1 3.86Å; L255-L258 HydrophobicContact CB-CG 4.16Å; L255-L258 HydrophobicContact CD1-CD1 4.1Å; L255-L258 HydrophobicContact CD2-CD1 4.23Å; L255-L258 HydrophobicContact CG-CD1 4.28Å; L255-L258 VanDerWaalsContact O-CB 3.3Å; L255-L258 WeakPolarHBondContact O-CB 3.4Å; L255-L258 WeakPolarHBondContact O-CG 3.4Å; L255-L258 PolarHBondContact O-N 2.96Å; G256-L258 VanDerWaalsContact C-N 3.29Å; L258-R260 PolarHBondContact O-N 3.31Å; L258-Y261 HydrophobicContact CD2-CD2 4.19Å; L258-Y261 HydrophobicContact CD2-CE2 3.89Å; L258-Y261 WeakPolarHBondContact O-CB 3.28Å; L258-Y261 VanDerWaalsContact O-CD2 3.31Å; L258-Y261 WeakPolarHBondContact O-CD2 3.3Å; L258-Y261 PolarHBondContact O-N 2.98Å
259	I	78.1	Confident	87.5	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.036	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-62.1	-18.9	176.9	-57.1	-178.6	0	0	0	111.1	S257 Y261 F262 I409 V413 T429	S257-I259 PolarHBondContact O-N 3.14Å; I259-Y261 VanDerWaalsContact C-N 3.27Å; I259-Y261 PolarHBondContact O-N 3.04Å; I259-F262 PolarHBondContact O-N 3.35Å; I259-I409 HydrophobicContact CD1-CG1 3.92Å; I259-I409 HydrophobicContact CD1-CG2 4.19Å; I259-V413 HydrophobicContact CD1-CB 4.05Å; I259-V413 HydrophobicContact CD1-CG1 4.21Å; I259-V413 HydrophobicContact CD1-CG2 3.84Å; I259-V413 HydrophobicContact CG2-CB 4.48Å; I259-V413 HydrophobicContact CG2-CG1 4.23Å; I259-T429 HydrophobicContact CD1-CG2 3.65Å
260	R	81.7	Confident	87.3	Confident	187 Å²	187	52.6 Å²	52.6	71%	0.706	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-71.5	-16.2	175.3	-63.4	-174	-68.6	-155.8	4.3	114.2	S257 L258 F262	S257-R260 VanDerWaalsContact O-CB 3.29Å; S257-R260 WeakPolarHBondContact O-CB 3.42Å; S257-R260 PolarHBondContact O-N 3.1Å; S257-R260 VanDerWaalsContact O-N 3.08Å; S257-R260 PolarHBondContact O-NE 3.43Å; L258-R260 PolarHBondContact O-N 3.31Å; R260-F262 PolarHBondContact O-N 3.49Å
261	Y	82.5	Confident	87.1	Confident	141 Å²	141	52.5 Å²	52.5	55%	0.553	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-76	-11.5	175.2	-66.9	-71.3	0	0	0	112.9	L258 I259 S263 V554	L258-Y261 HydrophobicContact CD2-CD2 4.19Å; L258-Y261 HydrophobicContact CD2-CE2 3.89Å; L258-Y261 WeakPolarHBondContact O-CB 3.28Å; L258-Y261 VanDerWaalsContact O-CD2 3.31Å; L258-Y261 WeakPolarHBondContact O-CD2 3.3Å; L258-Y261 PolarHBondContact O-N 2.98Å; I259-Y261 VanDerWaalsContact C-N 3.27Å; I259-Y261 PolarHBondContact O-N 3.04Å; Y261-S263 PolarHBondContact O-N 2.69Å; Y261-V554 HydrophobicContact CD1-CG2 4.43Å
262	F	85.2	Confident	87.3	Confident	34 Å²	34	52.6 Å²	52.6	15%	0.149	25%	0.253	C	S	.	.	S	Bend	trans	-83.8	97	-179.4	-74.5	-127.5	0	0	0	107.9	I259 R260 M266 V406 S410 L546 I550	I259-F262 PolarHBondContact O-N 3.35Å; R260-F262 PolarHBondContact O-N 3.49Å; F262-M266 HydrophobicContact CB-CE 3.88Å; F262-M266 HydrophobicContact CD1-CE 3.47Å; F262-M266 VanDerWaalsContact CD1-CE 3.47Å; F262-M266 HydrophobicContact CE1-CE 4.07Å; F262-M266 HydrophobicContact CG-CE 3.77Å; F262-V406 HydrophobicContact CE1-CG1 4.16Å; F262-V406 HydrophobicContact CE2-CG1 4.03Å; F262-V406 HydrophobicContact CZ-CG1 3.34Å; F262-S410 VanDerWaalsContact CE1-OG 3.31Å; F262-S410 WeakPolarHBondContact CE1-OG 3.48Å; F262-L546 HydrophobicContact CD1-CD1 4.36Å; F262-L546 HydrophobicContact CE1-CD1 3.67Å; F262-L546 HydrophobicContact CE1-CD2 4.29Å; F262-L546 HydrophobicContact CZ-CD1 4.23Å; F262-L546 HydrophobicContact CZ-CD2 4.29Å; F262-I550 HydrophobicContact CD2-CD1 4.44Å; F262-I550 HydrophobicContact CE1-CD1 4.26Å; F262-I550 HydrophobicContact CE2-CD1 3.61Å; F262-I550 HydrophobicContact CE2-CG1 4.28Å; F262-I550 HydrophobicContact CZ-CD1 3.47Å; F262-I550 VanDerWaalsContact CZ-CD1 3.47Å; F262-I550 HydrophobicContact CZ-CG1 4.32Å
263	S	89.1	Confident	87.6	Confident	33 Å²	33	48.5 Å²	48.5	23%	0.231	23%	0.232	C	C	.	.			trans	-68.4	150.9	-179.5	75.6	0	0	0	0	110.8	Y261 M266 T267 S553	Y261-S263 PolarHBondContact O-N 2.69Å; S263-M266 PolarHBondContact O-N 2.85Å; S263-M266 WeakPolarHBondContact OG-CB 3.39Å; S263-M266 PolarHBondContact OG-N 3.27Å; S263-T267 PolarHBondContact O-N 2.95Å; S263-T267 PolarHBondContact O-OG1 2.88Å; S263-S553 PolarHBondContact OG-OG 3.44Å
264	V	89.2	Confident	87.5	Confident	106 Å²	106	42.2 Å²	42.2	64%	0.642	21%	0.205	S	C	*	.	H	α-helix	trans	-59.9	-45.2	176.1	178.7	0	0	0	0	111.5	M266 T267 S268 F519	V264-M266 PolarHBondContact O-N 3.31Å; V264-T267 PolarHBondContact O-N 2.87Å; V264-S268 PolarHBondContact O-N 3.33Å; V264-F519 HydrophobicContact CG1-CZ 4.28Å
265	P	93	Very high	87.8	Confident	15 Å²	15	36.6 Å²	36.6	10%	0.097	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-40.9	177.9	-21.6	33.5	0	0	0	113.1	G269 F519 D526 V529 W530	P265-G269 PolarHBondContact O-N 3.32Å; P265-F519 HydrophobicContact CB-CD2 4.19Å; P265-F519 HydrophobicContact CB-CE2 4.05Å; P265-F519 HydrophobicContact CB-CZ 4.36Å; P265-F519 HydrophobicContact CG-CD1 4.49Å; P265-F519 HydrophobicContact CG-CE1 4.3Å; P265-F519 HydrophobicContact CG-CE2 4.42Å; P265-F519 HydrophobicContact CG-CZ 4.27Å; P265-D526 HydrophobicContact CB-CB 4.43Å; P265-D526 WeakPolarHBondContact CB-O 3.27Å; P265-D526 HydrophobicContact CG-CB 3.87Å; P265-V529 HydrophobicContact CB-CG1 4.49Å; P265-W530 HydrophobicContact CB-CB 4.28Å
266	M	91.5	Very high	88.2	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-47.9	175.1	-180	-156.8	89.4	0	0	111.2	F262 S263 V264 S268 G269 F270 V529 T533 L546 G549 I550 S553	F262-M266 HydrophobicContact CB-CE 3.88Å; F262-M266 HydrophobicContact CD1-CE 3.47Å; F262-M266 VanDerWaalsContact CD1-CE 3.47Å; F262-M266 HydrophobicContact CE1-CE 4.07Å; F262-M266 HydrophobicContact CG-CE 3.77Å; S263-M266 PolarHBondContact O-N 2.85Å; S263-M266 WeakPolarHBondContact OG-CB 3.39Å; S263-M266 PolarHBondContact OG-N 3.27Å; V264-M266 PolarHBondContact O-N 3.31Å; M266-S268 VanDerWaalsContact C-N 3.35Å; M266-S268 PolarHBondContact O-N 3.27Å; M266-G269 PolarHBondContact O-N 3.29Å; M266-F270 WeakPolarHBondContact O-CB 3.32Å; M266-F270 PolarHBondContact O-N 3.17Å; M266-V529 HydrophobicContact CB-CG1 3.93Å; M266-T533 HydrophobicContact CG-CG2 3.87Å; M266-T533 WeakPolarHBondContact O-CG2 3.5Å; M266-L546 HydrophobicContact CE-CD1 3.8Å; M266-G549 VanDerWaalsContact SD-C 3.51Å; M266-I550 HydrophobicContact CE-CG1 4.06Å; M266-I550 HydrophobicContact SD-CB 4.21Å; M266-I550 HydrophobicContact SD-CG1 3.47Å; M266-I550 WeakPolarHBondContact SD-CG1 3.35Å; M266-I550 PolarHBondContact SD-N 3.47Å; M266-I550 VanDerWaalsContact SD-N 3.45Å; M266-S553 WeakPolarHBondContact CB-OG 3.43Å
267	T	87.7	Confident	88.7	Confident	31 Å²	31	35 Å²	35	19%	0.19	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-43.1	-178	-54	0	0	0	0	111.1	S263 V264 F270 T271	S263-T267 PolarHBondContact O-N 2.95Å; S263-T267 PolarHBondContact O-OG1 2.88Å; V264-T267 PolarHBondContact O-N 2.87Å; T267-F270 PolarHBondContact O-N 2.93Å; T267-T271 WeakPolarHBondContact O-CB 3.37Å; T267-T271 PolarHBondContact O-N 3.41Å; T267-T271 PolarHBondContact O-OG1 3Å
268	S	89.9	Confident	89.1	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-50.1	175.7	171.1	0	0	0	0	111.8	V264 M266 F270 T271 V272 E512 D515 W530	V264-S268 PolarHBondContact O-N 3.33Å; M266-S268 VanDerWaalsContact C-N 3.35Å; M266-S268 PolarHBondContact O-N 3.27Å; S268-F270 VanDerWaalsContact C-N 3.31Å; S268-F270 PolarHBondContact O-N 3.34Å; S268-T271 PolarHBondContact O-N 3.28Å; S268-V272 WeakPolarHBondContact O-CG2 3.19Å; S268-V272 PolarHBondContact O-N 3.2Å; S268-E512 PolarHBondContact OG-O 3.44Å; S268-D515 PolarHBondContact OG-OD2 3.29Å; S268-W530 PolarHBondContact OG-NE1 3.47Å
269	G	93	Very high	89.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.4	-38.5	178.8	0	0	0	0	0	112.8	P265 M266 G273 W530	P265-G269 PolarHBondContact O-N 3.32Å; M266-G269 PolarHBondContact O-N 3.29Å; G269-G273 PolarHBondContact O-N 2.93Å; G269-W530 VanDerWaalsContact N-CD1 3.31Å
270	F	91.3	Very high	90.4	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.022	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-47.3	173.9	178.9	-104.1	0	0	0	112.2	V187 M266 T267 S268 V272 G273 V274 I407 T533 T537 V542 L546	V187-F270 HydrophobicContact CG1-CE1 3.92Å; V187-F270 HydrophobicContact CG1-CZ 4.15Å; M266-F270 WeakPolarHBondContact O-CB 3.32Å; M266-F270 PolarHBondContact O-N 3.17Å; T267-F270 PolarHBondContact O-N 2.93Å; S268-F270 VanDerWaalsContact C-N 3.31Å; S268-F270 PolarHBondContact O-N 3.34Å; F270-V272 VanDerWaalsContact C-N 3.34Å; F270-V272 PolarHBondContact O-N 3.05Å; F270-G273 PolarHBondContact O-N 3.43Å; F270-G273 VanDerWaalsContact O-N 3.16Å; F270-V274 HydrophobicContact CD1-CG2 4.24Å; F270-V274 HydrophobicContact CD2-CG2 4.39Å; F270-V274 HydrophobicContact CE1-CG2 3.82Å; F270-V274 HydrophobicContact CE2-CG2 3.97Å; F270-V274 HydrophobicContact CZ-CG2 3.67Å; F270-V274 WeakPolarHBondContact O-CG2 3.46Å; F270-V274 PolarHBondContact O-N 2.91Å; F270-I407 HydrophobicContact CE1-CG2 4.33Å; F270-I407 HydrophobicContact CZ-CD1 3.93Å; F270-T533 HydrophobicContact CB-CG2 3.79Å; F270-T537 HydrophobicContact CD2-CG2 4.12Å; F270-T537 HydrophobicContact CE2-CG2 4.28Å; F270-V542 HydrophobicContact CE2-CG1 3.63Å; F270-V542 WeakPolarHBondContact CE2-O 3.03Å; F270-V542 HydrophobicContact CZ-CG1 3.49Å; F270-V542 VanDerWaalsContact CZ-CG1 3.49Å; F270-L546 HydrophobicContact CD2-CB 4.24Å; F270-L546 HydrophobicContact CE2-CB 3.85Å; F270-L546 HydrophobicContact CZ-CB 4.35Å
271	T	88.7	Confident	90.8	Very high	15 Å²	15	24.8 Å²	24.8	9%	0.092	13%	0.129	C	C	.	.	H	α-helix	trans	-58.5	-44.8	178.7	-64.8	0	0	0	0	111.7	T267 S268 V274 A275 M509 E512	T267-T271 WeakPolarHBondContact O-CB 3.37Å; T267-T271 PolarHBondContact O-N 3.41Å; T267-T271 PolarHBondContact O-OG1 3Å; S268-T271 PolarHBondContact O-N 3.28Å; T271-V274 PolarHBondContact O-N 2.76Å; T271-A275 PolarHBondContact O-N 2.84Å; T271-M509 HydrophobicContact CG2-CB 3.77Å; T271-M509 HydrophobicContact CG2-CE 3.77Å; T271-M509 HydrophobicContact CG2-CG 3.82Å; T271-M509 WeakPolarHBondContact O-CE 3.49Å; T271-E512 VanDerWaalsContact CB-OE2 3.28Å; T271-E512 WeakPolarHBondContact CB-OE2 3.36Å; T271-E512 WeakPolarHBondContact CG2-OE2 3.44Å
272	V	94	Very high	91.3	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.03	10%	0.103	C	C	.	.	H	α-helix	trans	-64.9	-42.5	176.4	179.5	0	0	0	0	110.7	S268 F270 V274 A275 V276 M509 F510 E512 A513 W530 F534	S268-V272 WeakPolarHBondContact O-CG2 3.19Å; S268-V272 PolarHBondContact O-N 3.2Å; F270-V272 VanDerWaalsContact C-N 3.34Å; F270-V272 PolarHBondContact O-N 3.05Å; V272-V274 VanDerWaalsContact C-N 3.35Å; V272-V274 PolarHBondContact O-N 3.39Å; V272-A275 WeakPolarHBondContact O-CB 3.44Å; V272-A275 PolarHBondContact O-N 3.27Å; V272-A275 VanDerWaalsContact O-N 3.15Å; V272-V276 PolarHBondContact O-N 3.08Å; V272-V276 VanDerWaalsContact O-N 3.13Å; V272-M509 WeakPolarHBondContact CG2-O 3.41Å; V272-F510 HydrophobicContact CG1-CD1 4.42Å; V272-E512 HydrophobicContact CG2-CB 3.88Å; V272-A513 HydrophobicContact CG1-CB 4.21Å; V272-A513 HydrophobicContact CG2-CB 4.21Å; V272-W530 HydrophobicContact CB-CZ2 4.35Å; V272-W530 HydrophobicContact CG2-CZ2 4.16Å; V272-F534 HydrophobicContact CB-CD2 4.23Å; V272-F534 HydrophobicContact CB-CE2 4.49Å; V272-F534 HydrophobicContact CG1-CD2 3.98Å; V272-F534 HydrophobicContact CG1-CE2 3.78Å
273	G	94.2	Very high	91.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.3	-43.1	175.7	0	0	0	0	0	112.5	G269 F270 A275 V276 H277	G269-G273 PolarHBondContact O-N 2.93Å; F270-G273 PolarHBondContact O-N 3.43Å; F270-G273 VanDerWaalsContact O-N 3.16Å; G273-A275 VanDerWaalsContact C-N 3.33Å; G273-A275 PolarHBondContact O-N 3.47Å; G273-V276 WeakPolarHBondContact O-CB 3.36Å; G273-V276 PolarHBondContact O-N 3.34Å; G273-H277 PolarHBondContact O-CD2 2.98Å; G273-H277 PolarHBondContact O-N 2.91Å
274	V	90.5	Very high	91.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.6	-38.3	174.3	173.4	0	0	0	0	111.5	V187 L190 F270 T271 V272 V276 H277 V278 M509 T537 V542	V187-V274 HydrophobicContact CB-CG1 4.12Å; V187-V274 HydrophobicContact CG1-CG1 4.16Å; V187-V274 HydrophobicContact CG1-CG2 4.11Å; V187-V274 HydrophobicContact CG2-CB 4.39Å; V187-V274 HydrophobicContact CG2-CG1 3.76Å; L190-V274 HydrophobicContact CD2-CG1 3.84Å; F270-V274 HydrophobicContact CD1-CG2 4.24Å; F270-V274 HydrophobicContact CD2-CG2 4.39Å; F270-V274 HydrophobicContact CE1-CG2 3.82Å; F270-V274 HydrophobicContact CE2-CG2 3.97Å; F270-V274 HydrophobicContact CZ-CG2 3.67Å; F270-V274 WeakPolarHBondContact O-CG2 3.46Å; F270-V274 PolarHBondContact O-N 2.91Å; T271-V274 PolarHBondContact O-N 2.76Å; V272-V274 VanDerWaalsContact C-N 3.35Å; V272-V274 PolarHBondContact O-N 3.39Å; V274-V276 VanDerWaalsContact C-N 3.25Å; V274-V276 PolarHBondContact O-N 2.89Å; V274-H277 PolarHBondContact O-N 3.05Å; V274-H277 VanDerWaalsContact O-N 3.1Å; V274-V278 HydrophobicContact CG1-CG2 4.13Å; V274-V278 WeakPolarHBondContact O-CG2 3.34Å; V274-V278 PolarHBondContact O-N 3.02Å; V274-M509 HydrophobicContact CB-CE 4.42Å; V274-M509 HydrophobicContact CG1-CE 4.21Å; V274-T537 HydrophobicContact CG2-CG2 4.19Å; V274-V542 HydrophobicContact CG2-CG1 3.79Å; V274-V542 HydrophobicContact CG2-CG2 4.26Å
275	A	93	Very high	91.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.8	-37.9	175.8	0	0	0	0	0	111.8	T271 V272 G273 V278 F279 M509 F510	T271-A275 PolarHBondContact O-N 2.84Å; V272-A275 WeakPolarHBondContact O-CB 3.44Å; V272-A275 PolarHBondContact O-N 3.27Å; V272-A275 VanDerWaalsContact O-N 3.15Å; G273-A275 VanDerWaalsContact C-N 3.33Å; G273-A275 PolarHBondContact O-N 3.47Å; A275-V278 PolarHBondContact O-N 2.92Å; A275-F279 WeakPolarHBondContact O-CB 3.47Å; A275-F279 PolarHBondContact O-N 3.48Å; A275-M509 HydrophobicContact CB-CB 3.78Å; A275-M509 HydrophobicContact CB-CE 4.25Å; A275-F510 HydrophobicContact CB-CD1 4.24Å; A275-F510 HydrophobicContact CB-CD2 4.07Å; A275-F510 HydrophobicContact CB-CE1 4.05Å; A275-F510 HydrophobicContact CB-CE2 3.88Å; A275-F510 HydrophobicContact CB-CG 4.25Å; A275-F510 HydrophobicContact CB-CZ 3.87Å
276	V	95.3	Very high	91.9	Very high	27 Å²	27	14 Å²	14	16%	0.164	8%	0.075	C	C	.	.	H	α-helix	trans	-61.9	-43.4	173.7	176.3	0	0	0	0	111.7	V272 G273 V274 F279 T280 I300 F510 F534 V538	V272-V276 PolarHBondContact O-N 3.08Å; V272-V276 VanDerWaalsContact O-N 3.13Å; G273-V276 WeakPolarHBondContact O-CB 3.36Å; G273-V276 PolarHBondContact O-N 3.34Å; V274-V276 VanDerWaalsContact C-N 3.25Å; V274-V276 PolarHBondContact O-N 2.89Å; V276-F279 PolarHBondContact O-N 3.44Å; V276-T280 WeakPolarHBondContact O-CB 3.45Å; V276-T280 PolarHBondContact O-N 3.16Å; V276-T280 PolarHBondContact O-OG1 2.94Å; V276-I300 HydrophobicContact CG1-CG2 4.39Å; V276-F510 HydrophobicContact CG2-CE1 3.77Å; V276-F510 HydrophobicContact CG2-CZ 4.22Å; V276-F534 HydrophobicContact CG2-CE2 4.22Å; V276-V538 HydrophobicContact CB-CG2 4.2Å; V276-V538 HydrophobicContact CG1-CG1 4.35Å; V276-V538 HydrophobicContact CG1-CG2 4.35Å; V276-V538 HydrophobicContact CG2-CG2 4.26Å
277	H	92.3	Very high	92	Very high	5 Å²	5	15.5 Å²	15.5	2%	0.023	8%	0.083	C	C	.	.	H	α-helix	trans	-64.2	-46.6	176.7	-81.3	-88.3	0	0	0	112.8	L190 G273 V274 F279 T280 T281 T299 I300 T537	L190-H277 HydrophobicContact CD1-CB 4.25Å; L190-H277 HydrophobicContact CD2-CB 3.37Å; L190-H277 HydrophobicContact CG-CB 4.43Å; G273-H277 PolarHBondContact O-CD2 2.98Å; G273-H277 PolarHBondContact O-N 2.91Å; V274-H277 PolarHBondContact O-N 3.05Å; V274-H277 VanDerWaalsContact O-N 3.1Å; H277-F279 VanDerWaalsContact C-N 3.34Å; H277-F279 PolarHBondContact O-N 3.03Å; H277-T280 PolarHBondContact O-N 2.84Å; H277-T281 PolarHBondContact O-N 3.31Å; H277-T281 PolarHBondContact O-OG1 3.41Å; H277-T299 PolarHBondContact CE1-OG1 3.4Å; H277-I300 HydrophobicContact CB-CD1 4.34Å; H277-T537 PolarHBondContact NE2-O 3.46Å
278	V	90.8	Very high	92	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.6	-44	177.7	177.9	0	0	0	0	110.5	A186 L190 V274 A275 T281 Q282 I502 I506	A186-V278 HydrophobicContact CB-CG2 4.38Å; L190-V278 HydrophobicContact CB-CG2 4.27Å; L190-V278 HydrophobicContact CD2-CG2 4.07Å; V274-V278 HydrophobicContact CG1-CG2 4.13Å; V274-V278 WeakPolarHBondContact O-CG2 3.34Å; V274-V278 PolarHBondContact O-N 3.02Å; A275-V278 PolarHBondContact O-N 2.92Å; V278-T281 WeakPolarHBondContact O-CB 3.26Å; V278-T281 PolarHBondContact O-N 3.48Å; V278-Q282 WeakPolarHBondContact O-CG 3.5Å; V278-Q282 PolarHBondContact O-N 2.87Å; V278-Q282 PolarHBondContact O-NE2 3.48Å; V278-I502 HydrophobicContact CG1-CG2 3.43Å; V278-I502 VanDerWaalsContact CG1-CG2 3.43Å; V278-I506 HydrophobicContact CB-CD1 4.45Å; V278-I506 HydrophobicContact CB-CG2 4.41Å; V278-I506 HydrophobicContact CG1-CD1 4.28Å; V278-I506 HydrophobicContact CG1-CG2 3.89Å
279	F	94.1	Very high	92	Very high	72 Å²	72	14.8 Å²	14.8	32%	0.316	8%	0.082	S	C	.	.	H	α-helix	trans	-58.2	-51.1	176.6	-179	-95.4	0	0	0	111.4	A275 V276 H277 T281 Q282 V283 I503 I506 F510	A275-F279 WeakPolarHBondContact O-CB 3.47Å; A275-F279 PolarHBondContact O-N 3.48Å; V276-F279 PolarHBondContact O-N 3.44Å; H277-F279 VanDerWaalsContact C-N 3.34Å; H277-F279 PolarHBondContact O-N 3.03Å; F279-T281 PolarHBondContact O-N 2.94Å; F279-Q282 WeakPolarHBondContact O-CA 3.27Å; F279-Q282 WeakPolarHBondContact O-CB 3.21Å; F279-Q282 PolarHBondContact O-N 2.74Å; F279-V283 HydrophobicContact CD1-CG2 3.93Å; F279-V283 HydrophobicContact CE1-CG2 3.59Å; F279-V283 HydrophobicContact CZ-CG2 4.11Å; F279-V283 WeakPolarHBondContact O-CG2 3.09Å; F279-V283 PolarHBondContact O-N 3.38Å; F279-V283 VanDerWaalsContact O-N 3.1Å; F279-I503 HydrophobicContact CD2-CG1 4.24Å; F279-I503 HydrophobicContact CD2-CG2 4.42Å; F279-I503 HydrophobicContact CE2-CG1 4.37Å; F279-I503 HydrophobicContact CE2-CG2 4.15Å; F279-I506 HydrophobicContact CB-CD1 3.68Å; F279-I506 HydrophobicContact CD2-CD1 4.2Å; F279-I506 HydrophobicContact CG-CD1 4.46Å; F279-F510 HydrophobicContact CB-CE2 4.14Å; F279-F510 HydrophobicContact CB-CZ 4.05Å; F279-F510 HydrophobicContact CD2-CE2 4.43Å; F279-F510 HydrophobicContact CG-CE2 4.47Å; F279-F510 HydrophobicContact CG-CZ 4.45Å
280	T	92.6	Very high	91.5	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-37.9	-179.1	-55.5	0	0	0	0	111.5	V276 H277 Q282 V283 I300 T303 Y304	V276-T280 WeakPolarHBondContact O-CB 3.45Å; V276-T280 PolarHBondContact O-N 3.16Å; V276-T280 PolarHBondContact O-OG1 2.94Å; H277-T280 PolarHBondContact O-N 2.84Å; T280-Q282 VanDerWaalsContact C-N 3.26Å; T280-Q282 PolarHBondContact O-N 3.38Å; T280-V283 PolarHBondContact O-N 3.45Å; T280-I300 HydrophobicContact CG2-CD1 3.84Å; T280-I300 WeakPolarHBondContact OG1-CD1 3.38Å; T280-T303 HydrophobicContact CG2-CG2 3.77Å; T280-Y304 HydrophobicContact CG2-CD2 4.05Å; T280-Y304 HydrophobicContact CG2-CE2 3.53Å; T280-Y304 WeakPolarHBondContact OG1-CE2 3.43Å; T280-Y304 PolarHBondContact OG1-OH 3.47Å
281	T	88.6	Confident	91.1	Very high	24 Å²	24	22.3 Å²	22.3	15%	0.147	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-28.5	174.3	-57.4	0	0	0	0	112.9	H277 V278 F279 K284 R293	H277-T281 PolarHBondContact O-N 3.31Å; H277-T281 PolarHBondContact O-OG1 3.41Å; V278-T281 WeakPolarHBondContact O-CB 3.26Å; V278-T281 PolarHBondContact O-N 3.48Å; F279-T281 PolarHBondContact O-N 2.94Å; T281-K284 WeakPolarHBondContact O-CG 3.42Å; T281-R293 VanDerWaalsContact CG2-NH2 3.32Å
282	Q	93.4	Very high	90.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	14%	0.135	C	C	.	.	H	α-helix	trans	-81.5	-30.3	177.1	-59.5	-33.7	-63.1	0	0	113.1	V278 F279 T280 K284 N285 V286 S499 I502 I503	V278-Q282 WeakPolarHBondContact O-CG 3.5Å; V278-Q282 PolarHBondContact O-N 2.87Å; V278-Q282 PolarHBondContact O-NE2 3.48Å; F279-Q282 WeakPolarHBondContact O-CA 3.27Å; F279-Q282 WeakPolarHBondContact O-CB 3.21Å; F279-Q282 PolarHBondContact O-N 2.74Å; T280-Q282 VanDerWaalsContact C-N 3.26Å; T280-Q282 PolarHBondContact O-N 3.38Å; Q282-K284 VanDerWaalsContact C-N 3.26Å; Q282-K284 PolarHBondContact O-N 3.19Å; Q282-N285 PolarHBondContact O-N 3.28Å; Q282-V286 PolarHBondContact O-N 3.28Å; Q282-S499 PolarHBondContact OE1-OG 2.78Å; Q282-I502 HydrophobicContact CG-CB 3.91Å; Q282-I502 HydrophobicContact CG-CD1 4.4Å; Q282-I502 HydrophobicContact CG-CG2 3.59Å; Q282-I503 HydrophobicContact CB-CD1 3.86Å; Q282-I503 HydrophobicContact CB-CG1 3.75Å; Q282-I503 HydrophobicContact CG-CG1 4.07Å
283	V	94	Very high	89.5	Confident	23 Å²	23	27.9 Å²	27.9	14%	0.139	14%	0.144	C	C	.	.	H	α-helix	trans	-54	-43.2	-177	172.9	0	0	0	0	111.4	F279 T280 N285 V286 L287 I307	F279-V283 HydrophobicContact CD1-CG2 3.93Å; F279-V283 HydrophobicContact CE1-CG2 3.59Å; F279-V283 HydrophobicContact CZ-CG2 4.11Å; F279-V283 WeakPolarHBondContact O-CG2 3.09Å; F279-V283 PolarHBondContact O-N 3.38Å; F279-V283 VanDerWaalsContact O-N 3.1Å; T280-V283 PolarHBondContact O-N 3.45Å; V283-N285 VanDerWaalsContact C-N 3.29Å; V283-N285 PolarHBondContact O-N 3.26Å; V283-V286 PolarHBondContact O-N 3.08Å; V283-L287 HydrophobicContact CG1-CD1 3.76Å; V283-L287 HydrophobicContact CG1-CG 4.23Å; V283-L287 WeakPolarHBondContact O-CG 3.43Å; V283-L287 PolarHBondContact O-N 3.2Å; V283-I307 HydrophobicContact CB-CD1 4.42Å; V283-I307 HydrophobicContact CG1-CD1 4.01Å
284	K	90.4	Very high	88.6	Confident	30 Å²	30	31.5 Å²	31.5	13%	0.13	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-34.6	179	70.2	-178.7	-173.3	171.4	0	113.7	T281 Q282 G288 L289 L291 R293	T281-K284 WeakPolarHBondContact O-CG 3.42Å; Q282-K284 VanDerWaalsContact C-N 3.26Å; Q282-K284 PolarHBondContact O-N 3.19Å; K284-G288 PolarHBondContact O-N 2.93Å; K284-G288 VanDerWaalsContact O-N 3.08Å; K284-L289 PolarHBondContact O-N 3.06Å; K284-L291 HydrophobicContact CB-CD1 3.95Å; K284-L291 HydrophobicContact CD-CB 4.31Å; K284-L291 PolarHBondContact NZ-O 3.39Å; K284-R293 VanDerWaalsContact NZ-CG 3.31Å
285	N	91.2	Very high	87.6	Confident	25 Å²	25	34.2 Å²	34.2	13%	0.134	18%	0.178	C	C	.	.	H	α-helix	trans	-76.8	-33.9	178.3	-71.3	-14.3	0	0	0	111.5	Q282 V283 G288 I495 S499	Q282-N285 PolarHBondContact O-N 3.28Å; V283-N285 VanDerWaalsContact C-N 3.29Å; V283-N285 PolarHBondContact O-N 3.26Å; N285-G288 PolarHBondContact O-N 2.88Å; N285-I495 HydrophobicContact CB-CG2 4.1Å; N285-S499 WeakPolarHBondContact CB-OG 3.29Å; N285-S499 PolarHBondContact ND2-OG 3.49Å; N285-S499 VanDerWaalsContact ND2-OG 3.1Å
286	V	93.9	Very high	86.7	Confident	23 Å²	23	36.2 Å²	36.2	14%	0.139	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-39.3	173.2	172.1	0	0	0	0	111.2	Q282 V283 G288 V319 A322 I326 I503	Q282-V286 PolarHBondContact O-N 3.28Å; V283-V286 PolarHBondContact O-N 3.08Å; V286-G288 VanDerWaalsContact C-N 3.27Å; V286-G288 PolarHBondContact O-N 3.15Å; V286-V319 WeakPolarHBondContact O-CG2 3.36Å; V286-A322 HydrophobicContact CB-CB 4.41Å; V286-A322 HydrophobicContact CG1-CB 3.88Å; V286-A322 HydrophobicContact CG2-CB 4.45Å; V286-I326 HydrophobicContact CG2-CD1 4.38Å; V286-I503 HydrophobicContact CG2-CD1 3.62Å
287	L	93.7	Very high	86.2	Confident	32 Å²	32	39 Å²	39	17%	0.168	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-10.3	174.9	-63	175.5	0	0	0	113.4	V283 L289 I307 T314 N315 V319	V283-L287 HydrophobicContact CG1-CD1 3.76Å; V283-L287 HydrophobicContact CG1-CG 4.23Å; V283-L287 WeakPolarHBondContact O-CG 3.43Å; V283-L287 PolarHBondContact O-N 3.2Å; L287-L289 HydrophobicContact CB-CD1 3.94Å; L287-L289 HydrophobicContact CB-CG 3.81Å; L287-L289 HydrophobicContact CD1-CD1 3.92Å; L287-L289 PolarHBondContact O-N 3.41Å; L287-I307 HydrophobicContact CD1-CG2 3.72Å; L287-T314 HydrophobicContact CB-CG2 4.16Å; L287-T314 HydrophobicContact CD2-CG2 4.02Å; L287-T314 WeakPolarHBondContact O-CG2 3.44Å; L287-N315 PolarHBondContact O-N 3.45Å; L287-N315 VanDerWaalsContact O-N 3.11Å; L287-V319 HydrophobicContact CD2-CG2 4.09Å
288	G	88.2	Confident	86.1	Confident	16 Å²	16	43 Å²	43	17%	0.165	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	15.7	-175.4	0	0	0	0	0	114.7	K284 N285 V286	K284-G288 PolarHBondContact O-N 2.93Å; K284-G288 VanDerWaalsContact O-N 3.08Å; N285-G288 PolarHBondContact O-N 2.88Å; V286-G288 VanDerWaalsContact C-N 3.27Å; V286-G288 PolarHBondContact O-N 3.15Å
289	L	89	Confident	85.8	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.234	C	C	.	.			trans	-80	143.8	-175.6	-62.7	175.7	0	0	0	112.3	K284 L287 L291 T310 H313 K374	K284-L289 PolarHBondContact O-N 3.06Å; L287-L289 HydrophobicContact CB-CD1 3.94Å; L287-L289 HydrophobicContact CB-CG 3.81Å; L287-L289 HydrophobicContact CD1-CD1 3.92Å; L287-L289 PolarHBondContact O-N 3.41Å; L289-L291 HydrophobicContact CB-CD1 4.16Å; L289-L291 HydrophobicContact CB-CG 3.92Å; L289-L291 HydrophobicContact CD1-CD1 4.2Å; L289-L291 PolarHBondContact O-N 3.29Å; L289-T310 HydrophobicContact CD2-CG2 4.2Å; L289-H313 HydrophobicContact CD2-CB 4.42Å; L289-H313 WeakPolarHBondContact CD2-O 3.39Å; L289-K374 PolarHBondContact O-NZ 2.91Å
290	K	82.3	Confident	85.7	Confident	144 Å²	144	41 Å²	41	63%	0.626	22%	0.222	S	C	*	.			trans	-94.3	80.6	172.1	-68.8	171.9	-174.6	162	0	108.8	D372	K290-D372 IonicContact NZ-OD1 2.94Å; K290-D372 IonicContact NZ-OD2 3.21Å; K290-D372 PolarHBondContact NZ-OD2 2.95Å
291	L	82.3	Confident	85.7	Confident	18 Å²	18	43.6 Å²	43.6	9%	0.094	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-102.4	133.5	-179.2	-64.2	174.4	0	0	0	111.9	K284 L289 E306 I307 T310	K284-L291 HydrophobicContact CB-CD1 3.95Å; K284-L291 HydrophobicContact CD-CB 4.31Å; K284-L291 PolarHBondContact NZ-O 3.39Å; L289-L291 HydrophobicContact CB-CD1 4.16Å; L289-L291 HydrophobicContact CB-CG 3.92Å; L289-L291 HydrophobicContact CD1-CD1 4.2Å; L289-L291 PolarHBondContact O-N 3.29Å; L291-E306 HydrophobicContact CD2-CG 3.83Å; L291-I307 HydrophobicContact CD1-CB 4.37Å; L291-I307 HydrophobicContact CD1-CD1 4.45Å; L291-I307 HydrophobicContact CD1-CG1 3.38Å; L291-T310 HydrophobicContact CD2-CG2 4.28Å
292	P	73.9	Confident	85.8	Confident	80 Å²	80	49 Å²	49	52%	0.519	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-61.5	151	168.6	29.1	-33.8	0	0	0	109.8	F294	P292-F294 HydrophobicContact CG-CE1 4.38Å; P292-F294 HydrophobicContact CG-CE2 4.38Å; P292-F294 HydrophobicContact CG-CZ 3.93Å
293	R	75.1	Confident	85.7	Confident	58 Å²	58	50.1 Å²	50.1	22%	0.219	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-89	134.5	169.8	-72.5	-173.1	174.4	-162.8	6.4	108.5	L151 V152 D197 T281 K284 P295	L151-R293 PolarHBondContact O-NH2 2.99Å; V152-R293 PolarHBondContact O-NH1 3.45Å; V152-R293 PolarHBondContact O-NH2 3.13Å; D197-R293 WeakPolarHBondContact OD2-CD 3.16Å; D197-R293 IonicContact OD2-CZ 3.78Å; D197-R293 IonicContact OD2-NE 3.83Å; D197-R293 IonicContact OD2-NH1 2.82Å; D197-R293 PolarHBondContact OD2-NH1 3.18Å; T281-R293 VanDerWaalsContact CG2-NH2 3.32Å; K284-R293 VanDerWaalsContact NZ-CG 3.31Å; R293-P295 VanDerWaalsContact O-CD 3.25Å; R293-P295 WeakPolarHBondContact O-CD 3.36Å
294	F	75.5	Confident	85.7	Confident	76 Å²	76	52 Å²	52	33%	0.333	27%	0.27	S	S	.	.			trans	-99	104.5	178.2	-60.9	-77.4	0	0	0	109.1	P292 T299 E306	P292-F294 HydrophobicContact CG-CE1 4.38Å; P292-F294 HydrophobicContact CG-CE2 4.38Å; P292-F294 HydrophobicContact CG-CZ 3.93Å; F294-T299 WeakPolarHBondContact O-CG2 3.41Å; F294-E306 HydrophobicContact CE2-CB 3.92Å; F294-E306 HydrophobicContact CE2-CG 4.17Å; F294-E306 HydrophobicContact CZ-CB 4.25Å; F294-E306 HydrophobicContact CZ-CG 4.14Å
295	P	70.6	Confident	85.8	Confident	56 Å²	56	57.8 Å²	57.8	36%	0.364	29%	0.292	S	S	.	.			trans	-74.4	144	171.2	31	-33.5	0	0	0	110	R198 R293	R198-P295 HydrophobicContact CB-CB 4.09Å; R293-P295 VanDerWaalsContact O-CD 3.25Å; R293-P295 WeakPolarHBondContact O-CD 3.36Å
296	G	74.4	Confident	85.7	Confident	43 Å²	43	58.3 Å²	58.3	44%	0.443	29%	0.294	S	S	.	.	S	Bend	trans	130	-150.3	168.6	0	0	0	0	0	114.9	T299	G296-T299 WeakPolarHBondContact O-CG2 3.37Å
297	L	84.3	Confident	85.7	Confident	86 Å²	86	57.5 Å²	57.5	45%	0.45	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	147.7	176.4	-60.5	175.4	0	0	0	110.2	T299 L540 Y544	L297-T299 VanDerWaalsContact C-N 3.26Å; L297-T299 PolarHBondContact O-N 3.09Å; L297-L540 WeakPolarHBondContact CA-O 3.39Å; L297-L540 HydrophobicContact CD2-CB 4.11Å; L297-L540 HydrophobicContact CD2-CD2 4.33Å; L297-L540 WeakPolarHBondContact CD2-O 3.25Å; L297-Y544 HydrophobicContact CD2-CD2 3.66Å; L297-Y544 HydrophobicContact CD2-CE2 3.5Å
298	F	88.8	Confident	85.7	Confident	87 Å²	87	62.9 Å²	62.9	38%	0.382	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	30.7	179.7	-55.6	-79	0	0	0	114.7	I300 P301 Y302 L539	F298-I300 PolarHBondContact O-N 3.19Å; F298-I300 VanDerWaalsContact O-N 3.15Å; F298-P301 HydrophobicContact CB-CG 4.32Å; F298-P301 HydrophobicContact CD1-CG 4.42Å; F298-P301 VanDerWaalsContact O-CD 3.3Å; F298-P301 WeakPolarHBondContact O-CD 3.27Å; F298-Y302 HydrophobicContact CB-CD2 3.9Å; F298-Y302 HydrophobicContact CB-CE2 3.79Å; F298-Y302 WeakPolarHBondContact O-CD2 3.39Å; F298-Y302 PolarHBondContact O-N 3.05Å; F298-Y302 VanDerWaalsContact O-N 3.11Å; F298-L539 WeakPolarHBondContact CA-O 3.45Å; F298-L539 HydrophobicContact CD1-CB 4.3Å; F298-L539 HydrophobicContact CD1-CD2 4.48Å; F298-L539 HydrophobicContact CE1-CB 4.12Å; F298-L539 PolarHBondContact N-O 3.41Å
299	T	86.2	Confident	85.9	Confident	16 Å²	16	70.2 Å²	70.2	10%	0.098	33%	0.334	C	S	.	.	H	α-helix	trans	-52.5	-39.5	179	62.3	0	0	0	0	112.5	H277 F294 G296 L297 T303	H277-T299 PolarHBondContact CE1-OG1 3.4Å; F294-T299 WeakPolarHBondContact O-CG2 3.41Å; G296-T299 WeakPolarHBondContact O-CG2 3.37Å; L297-T299 VanDerWaalsContact C-N 3.26Å; L297-T299 PolarHBondContact O-N 3.09Å; T299-T303 VanDerWaalsContact O-CB 3.22Å; T299-T303 WeakPolarHBondContact O-CB 3.28Å; T299-T303 PolarHBondContact O-N 3.36Å; T299-T303 PolarHBondContact O-OG1 3.36Å
300	I	92	Very high	85.9	Confident	14 Å²	14	71.4 Å²	71.4	7%	0.072	34%	0.341	C	S	.	.	H	α-helix	trans	-67	-58.4	-177.7	-61.5	-66.8	0	0	0	111.6	V276 H277 T280 F298 Y302 T303 Y304	V276-I300 HydrophobicContact CG1-CG2 4.39Å; H277-I300 HydrophobicContact CB-CD1 4.34Å; T280-I300 HydrophobicContact CG2-CD1 3.84Å; T280-I300 WeakPolarHBondContact OG1-CD1 3.38Å; F298-I300 PolarHBondContact O-N 3.19Å; F298-I300 VanDerWaalsContact O-N 3.15Å; I300-Y302 VanDerWaalsContact C-N 3.32Å; I300-Y302 PolarHBondContact O-N 3.3Å; I300-T303 PolarHBondContact O-N 3.32Å; I300-Y304 HydrophobicContact CG2-CD2 3.81Å; I300-Y304 HydrophobicContact CG2-CE2 3.78Å; I300-Y304 WeakPolarHBondContact O-CD2 3.44Å; I300-Y304 PolarHBondContact O-N 3.42Å
301	P	92.1	Very high	86.3	Confident	58 Å²	58	67.7 Å²	67.7	38%	0.377	33%	0.331	S	S	.	.	H	α-helix	trans	-51.3	-46.3	173.3	-29	32.8	0	0	0	114	F298 T303 Y304 Y305 L539	F298-P301 HydrophobicContact CB-CG 4.32Å; F298-P301 HydrophobicContact CD1-CG 4.42Å; F298-P301 VanDerWaalsContact O-CD 3.3Å; F298-P301 WeakPolarHBondContact O-CD 3.27Å; P301-T303 PolarHBondContact O-N 2.97Å; P301-Y304 PolarHBondContact O-N 2.96Å; P301-Y305 WeakPolarHBondContact O-CB 3.29Å; P301-Y305 PolarHBondContact O-N 3.01Å; P301-L539 HydrophobicContact CG-CD2 4.45Å
302	Y	90.7	Very high	86.8	Confident	139 Å²	139	75.2 Å²	75.2	55%	0.545	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-40.8	179.5	-74.9	-57.5	0	0	0	112.5	F298 I300 Y305 E306	F298-Y302 HydrophobicContact CB-CD2 3.9Å; F298-Y302 HydrophobicContact CB-CE2 3.79Å; F298-Y302 WeakPolarHBondContact O-CD2 3.39Å; F298-Y302 PolarHBondContact O-N 3.05Å; F298-Y302 VanDerWaalsContact O-N 3.11Å; I300-Y302 VanDerWaalsContact C-N 3.32Å; I300-Y302 PolarHBondContact O-N 3.3Å; Y302-Y305 PolarHBondContact O-N 3.26Å; Y302-E306 PolarHBondContact O-N 3.16Å
303	T	90.7	Very high	87.5	Confident	24 Å²	24	78.5 Å²	78.5	15%	0.147	37%	0.373	C	S	.	.	H	α-helix	trans	-63.9	-43.4	177.4	-58.8	0	0	0	0	111	T280 T299 I300 P301 E306 I307	T280-T303 HydrophobicContact CG2-CG2 3.77Å; T299-T303 VanDerWaalsContact O-CB 3.22Å; T299-T303 WeakPolarHBondContact O-CB 3.28Å; T299-T303 PolarHBondContact O-N 3.36Å; T299-T303 PolarHBondContact O-OG1 3.36Å; I300-T303 PolarHBondContact O-N 3.32Å; P301-T303 PolarHBondContact O-N 2.97Å; T303-E306 PolarHBondContact O-N 3Å; T303-I307 HydrophobicContact CG2-CD1 3.88Å; T303-I307 HydrophobicContact CG2-CG1 4.43Å; T303-I307 WeakPolarHBondContact O-CB 3.32Å; T303-I307 WeakPolarHBondContact O-CG1 3.32Å; T303-I307 PolarHBondContact O-N 3.26Å
304	Y	93.7	Very high	88.3	Confident	63 Å²	63	76.9 Å²	76.9	25%	0.247	37%	0.37	C	S	.	.	H	α-helix	trans	-66.7	-39.5	176.4	-83.2	-74.5	0	0	0	112.6	T280 I300 P301 E306 I307 F308	T280-Y304 HydrophobicContact CG2-CD2 4.05Å; T280-Y304 HydrophobicContact CG2-CE2 3.53Å; T280-Y304 WeakPolarHBondContact OG1-CE2 3.43Å; T280-Y304 PolarHBondContact OG1-OH 3.47Å; I300-Y304 HydrophobicContact CG2-CD2 3.81Å; I300-Y304 HydrophobicContact CG2-CE2 3.78Å; I300-Y304 WeakPolarHBondContact O-CD2 3.44Å; I300-Y304 PolarHBondContact O-N 3.42Å; P301-Y304 PolarHBondContact O-N 2.96Å; Y304-E306 VanDerWaalsContact C-N 3.31Å; Y304-E306 PolarHBondContact O-N 2.82Å; Y304-I307 HydrophobicContact CD1-CD1 4.31Å; Y304-I307 PolarHBondContact O-N 3.3Å; Y304-F308 HydrophobicContact CD1-CE2 4.25Å; Y304-F308 HydrophobicContact CD1-CZ 4.5Å; Y304-F308 WeakPolarHBondContact O-CD2 3.28Å; Y304-F308 WeakPolarHBondContact O-CG 3.45Å; Y304-F308 PolarHBondContact O-N 3.06Å
305	Y	93.5	Very high	89.1	Confident	151 Å²	151	74.3 Å²	74.3	59%	0.592	36%	0.36	S	S	*	.	H	α-helix	trans	-55.4	-47.4	173.4	175	-97.8	0	0	0	111.4	P301 Y302 F308 R309	P301-Y305 WeakPolarHBondContact O-CB 3.29Å; P301-Y305 PolarHBondContact O-N 3.01Å; Y302-Y305 PolarHBondContact O-N 3.26Å; Y305-F308 PolarHBondContact O-N 2.84Å; Y305-R309 WeakPolarHBondContact O-CB 3.39Å; Y305-R309 PolarHBondContact O-N 2.73Å
306	E	89	Confident	90.2	Very high	37 Å²	37	76.6 Å²	76.6	17%	0.173	37%	0.368	C	S	.	.	H	α-helix	trans	-70.8	-34.1	179.2	-163.1	63.8	-157.8	0	0	112.8	L291 F294 Y302 T303 Y304 R309 T310	L291-E306 HydrophobicContact CD2-CG 3.83Å; F294-E306 HydrophobicContact CE2-CB 3.92Å; F294-E306 HydrophobicContact CE2-CG 4.17Å; F294-E306 HydrophobicContact CZ-CB 4.25Å; F294-E306 HydrophobicContact CZ-CG 4.14Å; Y302-E306 PolarHBondContact O-N 3.16Å; T303-E306 PolarHBondContact O-N 3Å; Y304-E306 VanDerWaalsContact C-N 3.31Å; Y304-E306 PolarHBondContact O-N 2.82Å; E306-R309 PolarHBondContact O-N 2.96Å; E306-R309 IonicContact OE2-NH1 3.29Å; E306-T310 WeakPolarHBondContact O-CB 3.23Å; E306-T310 PolarHBondContact O-N 2.86Å; E306-T310 PolarHBondContact O-OG1 2.63Å
307	I	92.7	Very high	91.1	Very high	6 Å²	6	76.7 Å²	76.7	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-59.3	-50.2	171.4	-72.6	164.4	0	0	0	109.9	V283 L287 L291 T303 Y304 R309 T310 V311	V283-I307 HydrophobicContact CB-CD1 4.42Å; V283-I307 HydrophobicContact CG1-CD1 4.01Å; L287-I307 HydrophobicContact CD1-CG2 3.72Å; L291-I307 HydrophobicContact CD1-CB 4.37Å; L291-I307 HydrophobicContact CD1-CD1 4.45Å; L291-I307 HydrophobicContact CD1-CG1 3.38Å; T303-I307 HydrophobicContact CG2-CD1 3.88Å; T303-I307 HydrophobicContact CG2-CG1 4.43Å; T303-I307 WeakPolarHBondContact O-CB 3.32Å; T303-I307 WeakPolarHBondContact O-CG1 3.32Å; T303-I307 PolarHBondContact O-N 3.26Å; Y304-I307 HydrophobicContact CD1-CD1 4.31Å; Y304-I307 PolarHBondContact O-N 3.3Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 3.16Å; I307-T310 PolarHBondContact O-N 3.36Å; I307-V311 WeakPolarHBondContact O-CA 3.37Å; I307-V311 WeakPolarHBondContact O-CB 3.27Å; I307-V311 PolarHBondContact O-N 2.98Å
308	F	93.6	Very high	91.5	Very high	144 Å²	144	72.8 Å²	72.8	63%	0.632	34%	0.34	S	S	*	.	H	α-helix	trans	-65.7	-34.5	-179.7	-70.5	-55.8	0	0	0	112.3	Y304 Y305 V311	Y304-F308 HydrophobicContact CD1-CE2 4.25Å; Y304-F308 HydrophobicContact CD1-CZ 4.5Å; Y304-F308 WeakPolarHBondContact O-CD2 3.28Å; Y304-F308 WeakPolarHBondContact O-CG 3.45Å; Y304-F308 PolarHBondContact O-N 3.06Å; Y305-F308 PolarHBondContact O-N 2.84Å; F308-V311 WeakPolarHBondContact O-CG1 3.24Å
309	R	92.8	Very high	91.8	Very high	170 Å²	170	70.6 Å²	70.6	64%	0.642	33%	0.334	S	S	*	.	H	α-helix	trans	-65.6	-39.9	174.3	-171.9	-177.2	-177.9	-174.3	1	112.7	Y305 E306 I307	Y305-R309 WeakPolarHBondContact O-CB 3.39Å; Y305-R309 PolarHBondContact O-N 2.73Å; E306-R309 PolarHBondContact O-N 2.96Å; E306-R309 IonicContact OE2-NH1 3.29Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 3.16Å
310	T	90.6	Very high	92.2	Very high	29 Å²	29	75.5 Å²	75.5	18%	0.178	36%	0.359	C	S	.	.	H	α-helix	trans	-96.7	0	-173.9	-45.3	0	0	0	0	112.7	L289 L291 E306 I307 Q312 H313	L289-T310 HydrophobicContact CD2-CG2 4.2Å; L291-T310 HydrophobicContact CD2-CG2 4.28Å; E306-T310 WeakPolarHBondContact O-CB 3.23Å; E306-T310 PolarHBondContact O-N 2.86Å; E306-T310 PolarHBondContact O-OG1 2.63Å; I307-T310 PolarHBondContact O-N 3.36Å; T310-Q312 PolarHBondContact O-N 3.25Å; T310-H313 HydrophobicContact CG2-CB 4.29Å; T310-H313 PolarHBondContact O-N 3.13Å
311	V	90.6	Very high	92.3	Very high	67 Å²	67	78 Å²	78	41%	0.406	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-57.8	-25.7	-172.3	77.8	0	0	0	0	113.4	I307 F308 H313 T314	I307-V311 WeakPolarHBondContact O-CA 3.37Å; I307-V311 WeakPolarHBondContact O-CB 3.27Å; I307-V311 PolarHBondContact O-N 2.98Å; F308-V311 WeakPolarHBondContact O-CG1 3.24Å; V311-H313 PolarHBondContact O-N 2.91Å; V311-T314 VanDerWaalsContact O-CB 3.24Å; V311-T314 WeakPolarHBondContact O-CB 3.38Å; V311-T314 PolarHBondContact O-N 3.43Å; V311-T314 PolarHBondContact O-OG1 3.07Å
312	Q	91.1	Very high	92.5	Very high	176 Å²	176	75.2 Å²	75.2	82%	0.822	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23.7	176.9	-63.3	-177.7	-20.9	0	0	113.2	T310 T314	T310-Q312 PolarHBondContact O-N 3.25Å; Q312-T314 VanDerWaalsContact C-N 3.32Å
313	H	90.4	Very high	92.7	Very high	148 Å²	148	71.6 Å²	71.6	69%	0.685	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-94	18.8	177.9	-60.8	-67.2	0	0	0	113.2	L289 T310 V311	L289-H313 HydrophobicContact CD2-CB 4.42Å; L289-H313 WeakPolarHBondContact CD2-O 3.39Å; T310-H313 HydrophobicContact CG2-CB 4.29Å; T310-H313 PolarHBondContact O-N 3.13Å; V311-H313 PolarHBondContact O-N 2.91Å
314	T	91.4	Very high	92.9	Very high	24 Å²	24	72 Å²	72	15%	0.147	36%	0.356	C	S	.	.			trans	-65.5	135.5	-179.8	-65.9	0	0	0	0	111.4	L287 V311 Q312 I316 V319	L287-T314 HydrophobicContact CB-CG2 4.16Å; L287-T314 HydrophobicContact CD2-CG2 4.02Å; L287-T314 WeakPolarHBondContact O-CG2 3.44Å; V311-T314 VanDerWaalsContact O-CB 3.24Å; V311-T314 WeakPolarHBondContact O-CB 3.38Å; V311-T314 PolarHBondContact O-N 3.43Å; V311-T314 PolarHBondContact O-OG1 3.07Å; Q312-T314 VanDerWaalsContact C-N 3.32Å; T314-I316 HydrophobicContact CG2-CD1 4.35Å; T314-I316 PolarHBondContact O-N 2.93Å; T314-V319 HydrophobicContact CG2-CG2 3.46Å; T314-V319 VanDerWaalsContact CG2-CG2 3.46Å
315	N	92.8	Very high	93	Very high	23 Å²	23	69.3 Å²	69.3	12%	0.123	35%	0.347	C	S	.	.			trans	-81.4	99.5	175.8	-176.7	-28	0	0	0	110	L287 P317 T318 V319 Y371 D372	L287-N315 PolarHBondContact O-N 3.45Å; L287-N315 VanDerWaalsContact O-N 3.11Å; N315-P317 WeakPolarHBondContact OD1-CD 3.24Å; N315-T318 PolarHBondContact ND2-OG1 2.94Å; N315-T318 WeakPolarHBondContact O-CB 3.45Å; N315-T318 PolarHBondContact O-N 3.09Å; N315-T318 VanDerWaalsContact O-N 3.12Å; N315-T318 PolarHBondContact OD1-N 2.59Å; N315-T318 PolarHBondContact OD1-OG1 3.15Å; N315-V319 PolarHBondContact O-N 3.32Å; N315-V319 VanDerWaalsContact O-N 3.09Å; N315-Y371 PolarHBondContact ND2-O 3.06Å; N315-D372 PolarHBondContact ND2-O 3.24Å
316	I	93	Very high	93.1	Very high	104 Å²	104	64.1 Å²	64.1	53%	0.533	33%	0.329	S	S	.	.	H	α-helix	trans	-59	-47.8	-174.9	-55.7	-57.7	0	0	0	113.3	T314 T318 V319 L320	T314-I316 HydrophobicContact CG2-CD1 4.35Å; T314-I316 PolarHBondContact O-N 2.93Å; I316-T318 VanDerWaalsContact C-N 3.25Å; I316-T318 PolarHBondContact O-N 3.19Å; I316-V319 PolarHBondContact O-N 3.12Å; I316-V319 VanDerWaalsContact O-N 3.11Å; I316-L320 HydrophobicContact CG2-CD1 4.22Å; I316-L320 HydrophobicContact CG2-CG 4.41Å; I316-L320 PolarHBondContact O-N 2.83Å
317	P	92.6	Very high	93.4	Very high	45 Å²	45	65.6 Å²	65.6	29%	0.292	34%	0.341	S	S	.	.	H	α-helix	trans	-51.3	-42.9	172.1	-28.5	31.7	0	0	0	113.8	N315 L320 M321 Y371	N315-P317 WeakPolarHBondContact OD1-CD 3.24Å; P317-L320 PolarHBondContact O-N 2.77Å; P317-M321 VanDerWaalsContact O-CG 3.31Å; P317-M321 WeakPolarHBondContact O-CG 3.03Å; P317-M321 PolarHBondContact O-N 3.16Å; P317-M321 VanDerWaalsContact O-N 3.08Å; P317-Y371 HydrophobicContact CB-CD1 4.21Å; P317-Y371 HydrophobicContact CB-CG 4.38Å; P317-Y371 HydrophobicContact CG-CD1 3.71Å; P317-Y371 HydrophobicContact CG-CE1 4.34Å; P317-Y371 HydrophobicContact CG-CG 4.33Å
318	T	93.5	Very high	93.5	Very high	4 Å²	4	70 Å²	70	3%	0.025	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-43.9	178.1	-62.3	0	0	0	0	111.3	N315 I316 M321 A322 V373 F496	N315-T318 PolarHBondContact ND2-OG1 2.94Å; N315-T318 WeakPolarHBondContact O-CB 3.45Å; N315-T318 PolarHBondContact O-N 3.09Å; N315-T318 VanDerWaalsContact O-N 3.12Å; N315-T318 PolarHBondContact OD1-N 2.59Å; N315-T318 PolarHBondContact OD1-OG1 3.15Å; I316-T318 VanDerWaalsContact C-N 3.25Å; I316-T318 PolarHBondContact O-N 3.19Å; T318-M321 PolarHBondContact O-N 3.46Å; T318-A322 WeakPolarHBondContact O-CB 3.4Å; T318-A322 PolarHBondContact O-N 3.11Å; T318-V373 WeakPolarHBondContact OG1-CG2 3.23Å; T318-F496 HydrophobicContact CG2-CB 3.88Å; T318-F496 HydrophobicContact CG2-CD1 4.03Å; T318-F496 HydrophobicContact CG2-CG 4.26Å
319	V	95.3	Very high	93.4	Very high	40 Å²	40	63.1 Å²	63.1	24%	0.242	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-45.3	178.6	173.8	0	0	0	0	111.8	V286 L287 T314 N315 I316 A322 S323	V286-V319 WeakPolarHBondContact O-CG2 3.36Å; L287-V319 HydrophobicContact CD2-CG2 4.09Å; T314-V319 HydrophobicContact CG2-CG2 3.46Å; T314-V319 VanDerWaalsContact CG2-CG2 3.46Å; N315-V319 PolarHBondContact O-N 3.32Å; N315-V319 VanDerWaalsContact O-N 3.09Å; I316-V319 PolarHBondContact O-N 3.12Å; I316-V319 VanDerWaalsContact O-N 3.11Å; V319-A322 PolarHBondContact O-N 2.75Å; V319-S323 WeakPolarHBondContact O-CB 3.49Å; V319-S323 PolarHBondContact O-N 3.46Å
320	L	94.6	Very high	93.4	Very high	120 Å²	120	56.5 Å²	56.5	63%	0.628	32%	0.315	S	S	*	.	H	α-helix	trans	-62.6	-46.6	179.9	-69.7	175.4	0	0	0	111.3	I316 P317 S323 G324	I316-L320 HydrophobicContact CG2-CD1 4.22Å; I316-L320 HydrophobicContact CG2-CG 4.41Å; I316-L320 PolarHBondContact O-N 2.83Å; P317-L320 PolarHBondContact O-N 2.77Å; L320-S323 PolarHBondContact O-N 3.03Å; L320-G324 PolarHBondContact O-N 2.64Å
321	M	93.9	Very high	93.5	Very high	66 Å²	66	59.6 Å²	59.6	33%	0.325	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-42.9	178	-68	-62.2	-66.5	0	0	111.8	P317 T318 G324 C325 V361 F496	P317-M321 VanDerWaalsContact O-CG 3.31Å; P317-M321 WeakPolarHBondContact O-CG 3.03Å; P317-M321 PolarHBondContact O-N 3.16Å; P317-M321 VanDerWaalsContact O-N 3.08Å; T318-M321 PolarHBondContact O-N 3.46Å; M321-G324 PolarHBondContact O-N 2.68Å; M321-C325 PolarHBondContact O-N 2.92Å; M321-C325 PolarHBondContact O-SG 2.83Å; M321-C325 VanDerWaalsContact O-SG 3.33Å; M321-V361 HydrophobicContact CE-CG1 3.91Å; M321-F496 HydrophobicContact CB-CD2 4.37Å; M321-F496 HydrophobicContact CB-CE1 3.97Å; M321-F496 HydrophobicContact CB-CE2 3.72Å; M321-F496 HydrophobicContact CB-CZ 3.5Å; M321-F496 HydrophobicContact CE-CZ 4.38Å; M321-F496 HydrophobicContact CG-CZ 4.35Å
322	A	95	Very high	93.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.1	-45.5	176.3	0	0	0	0	0	112	V286 T318 V319 C325 I326 F496	V286-A322 HydrophobicContact CB-CB 4.41Å; V286-A322 HydrophobicContact CG1-CB 3.88Å; V286-A322 HydrophobicContact CG2-CB 4.45Å; T318-A322 WeakPolarHBondContact O-CB 3.4Å; T318-A322 PolarHBondContact O-N 3.11Å; V319-A322 PolarHBondContact O-N 2.75Å; A322-C325 PolarHBondContact O-N 3.23Å; A322-I326 VanDerWaalsContact O-CG1 3.27Å; A322-I326 WeakPolarHBondContact O-CG1 3.29Å; A322-I326 PolarHBondContact O-N 3.2Å; A322-F496 HydrophobicContact CB-CB 3.94Å; A322-F496 HydrophobicContact CB-CD2 4Å; A322-F496 HydrophobicContact CB-CG 4.21Å
323	S	95.1	Very high	93.2	Very high	63 Å²	63	52 Å²	52	44%	0.441	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-42.7	176.2	-178.8	0	0	0	0	111.6	V319 L320 C325 I326 T327	V319-S323 WeakPolarHBondContact O-CB 3.49Å; V319-S323 PolarHBondContact O-N 3.46Å; L320-S323 PolarHBondContact O-N 3.03Å; S323-C325 PolarHBondContact O-N 2.87Å; S323-I326 PolarHBondContact O-N 3.14Å; S323-T327 VanDerWaalsContact O-CB 3.3Å; S323-T327 WeakPolarHBondContact O-CB 3.11Å; S323-T327 PolarHBondContact O-N 3.33Å; S323-T327 PolarHBondContact O-OG1 3.24Å
324	G	95.5	Very high	93	Very high	31 Å²	31	48.3 Å²	48.3	32%	0.32	27%	0.273	S	S	.	.	H	α-helix	trans	-57.7	-47.6	172.2	0	0	0	0	0	111.8	L320 M321 T327 I328	L320-G324 PolarHBondContact O-N 2.64Å; M321-G324 PolarHBondContact O-N 2.68Å; G324-T327 PolarHBondContact O-N 2.93Å; G324-I328 VanDerWaalsContact O-CG1 3.28Å; G324-I328 WeakPolarHBondContact O-CG1 3.5Å; G324-I328 PolarHBondContact O-N 3.27Å
325	C	95.6	Very high	92.8	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.054	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-45.5	178.2	-72.5	0	0	0	0	113.1	M321 A322 S323 T327 I328 L329 I354 A500	M321-C325 PolarHBondContact O-N 2.92Å; M321-C325 PolarHBondContact O-SG 2.83Å; M321-C325 VanDerWaalsContact O-SG 3.33Å; A322-C325 PolarHBondContact O-N 3.23Å; S323-C325 PolarHBondContact O-N 2.87Å; C325-T327 VanDerWaalsContact C-N 3.33Å; C325-T327 PolarHBondContact O-N 3.44Å; C325-I328 PolarHBondContact O-N 3.1Å; C325-L329 WeakPolarHBondContact O-CB 3.05Å; C325-L329 WeakPolarHBondContact O-CG 3.22Å; C325-L329 PolarHBondContact O-N 3.22Å; C325-I354 HydrophobicContact CB-CD1 3.61Å; C325-I354 HydrophobicContact CB-CG1 4.45Å; C325-A500 HydrophobicContact CB-CB 3.9Å
326	I	95.7	Very high	92.5	Very high	41 Å²	41	59 Å²	59	21%	0.21	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-46.3	177.1	-68.9	166.8	0	0	0	109.9	V286 A322 S323 L329 A330 A500 I503 V504	V286-I326 HydrophobicContact CG2-CD1 4.38Å; A322-I326 VanDerWaalsContact O-CG1 3.27Å; A322-I326 WeakPolarHBondContact O-CG1 3.29Å; A322-I326 PolarHBondContact O-N 3.2Å; S323-I326 PolarHBondContact O-N 3.14Å; I326-L329 PolarHBondContact O-N 3.14Å; I326-A330 WeakPolarHBondContact O-CB 3.29Å; I326-A330 PolarHBondContact O-N 3.27Å; I326-A500 HydrophobicContact CD1-CB 4.45Å; I326-A500 HydrophobicContact CG1-CB 3.54Å; I326-I503 HydrophobicContact CD1-CD1 3.94Å; I326-V504 HydrophobicContact CG2-CG2 4.33Å
327	T	95.1	Very high	91.9	Very high	68 Å²	68	54.7 Å²	54.7	42%	0.417	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-48.5	-179.9	-58.8	0	0	0	0	111.4	S323 G324 C325 L329 A330 I331	S323-T327 VanDerWaalsContact O-CB 3.3Å; S323-T327 WeakPolarHBondContact O-CB 3.11Å; S323-T327 PolarHBondContact O-N 3.33Å; S323-T327 PolarHBondContact O-OG1 3.24Å; G324-T327 PolarHBondContact O-N 2.93Å; C325-T327 VanDerWaalsContact C-N 3.33Å; C325-T327 PolarHBondContact O-N 3.44Å; T327-L329 PolarHBondContact O-N 2.65Å; T327-A330 PolarHBondContact O-N 3.49Å; T327-I331 HydrophobicContact CG2-CD1 3.58Å; T327-I331 HydrophobicContact CG2-CG1 4.31Å; T327-I331 WeakPolarHBondContact O-CB 3.45Å; T327-I331 VanDerWaalsContact O-CG1 3.22Å; T327-I331 WeakPolarHBondContact O-CG1 3.17Å; T327-I331 PolarHBondContact O-N 3.39Å
328	I	94.9	Very high	91.3	Very high	99 Å²	99	55.7 Å²	55.7	51%	0.508	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-46.6	178	-69	165.9	0	0	0	111	G324 C325 Y332	G324-I328 VanDerWaalsContact O-CG1 3.28Å; G324-I328 WeakPolarHBondContact O-CG1 3.5Å; G324-I328 PolarHBondContact O-N 3.27Å; C325-I328 PolarHBondContact O-N 3.1Å; I328-Y332 VanDerWaalsContact O-CB 3.3Å; I328-Y332 WeakPolarHBondContact O-CB 3.37Å; I328-Y332 PolarHBondContact O-N 2.74Å
329	L	92.7	Very high	90.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-41.8	179.3	-76.8	169.4	0	0	0	112.5	C325 I326 T327 K333 I350 I354 A500 I501 V504	C325-L329 WeakPolarHBondContact O-CB 3.05Å; C325-L329 WeakPolarHBondContact O-CG 3.22Å; C325-L329 PolarHBondContact O-N 3.22Å; I326-L329 PolarHBondContact O-N 3.14Å; T327-L329 PolarHBondContact O-N 2.65Å; L329-K333 WeakPolarHBondContact O-CB 3.41Å; L329-K333 WeakPolarHBondContact O-CG 3.35Å; L329-K333 PolarHBondContact O-N 3.14Å; L329-I350 HydrophobicContact CD2-CB 4.43Å; L329-I350 HydrophobicContact CD2-CG1 3.9Å; L329-I350 HydrophobicContact CD2-CG2 3.85Å; L329-I354 HydrophobicContact CD1-CD1 3.85Å; L329-I354 HydrophobicContact CD1-CG2 4.33Å; L329-I354 HydrophobicContact CD2-CD1 4.22Å; L329-I354 HydrophobicContact CD2-CG2 4.05Å; L329-I354 HydrophobicContact CG-CD1 3.63Å; L329-I354 HydrophobicContact CG-CG2 4.43Å; L329-A500 HydrophobicContact CD1-CB 4.29Å; L329-I501 HydrophobicContact CD1-CG1 3.87Å; L329-V504 HydrophobicContact CB-CB 4.41Å; L329-V504 HydrophobicContact CB-CG1 4.29Å; L329-V504 HydrophobicContact CB-CG2 3.89Å; L329-V504 HydrophobicContact CD1-CG2 4.48Å
330	A	91.7	Very high	90.1	Very high	30 Å²	30	61 Å²	61	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-67.1	-49.3	179.5	0	0	0	0	0	111.3	I326 T327 Y332 K333 D334	I326-A330 WeakPolarHBondContact O-CB 3.29Å; I326-A330 PolarHBondContact O-N 3.27Å; T327-A330 PolarHBondContact O-N 3.49Å; A330-Y332 VanDerWaalsContact C-N 3.28Å; A330-Y332 PolarHBondContact O-N 3.2Å; A330-K333 PolarHBondContact O-N 3.39Å; A330-D334 WeakPolarHBondContact O-CB 3.3Å; A330-D334 PolarHBondContact O-N 3.37Å
331	I	93.3	Very high	89	Confident	94 Å²	94	60.2 Å²	60.2	48%	0.482	31%	0.31	S	S	.	.	H	α-helix	trans	-57.1	-45.8	176.2	-69.3	170.4	0	0	0	110	T327 W335 I336	T327-I331 HydrophobicContact CG2-CD1 3.58Å; T327-I331 HydrophobicContact CG2-CG1 4.31Å; T327-I331 WeakPolarHBondContact O-CB 3.45Å; T327-I331 VanDerWaalsContact O-CG1 3.22Å; T327-I331 WeakPolarHBondContact O-CG1 3.17Å; T327-I331 PolarHBondContact O-N 3.39Å; I331-W335 WeakPolarHBondContact O-CB 3.27Å; I331-W335 PolarHBondContact O-N 3.39Å; I331-I336 PolarHBondContact O-N 3.45Å
332	Y	90.2	Very high	88.2	Confident	22 Å²	22	65.8 Å²	65.8	9%	0.086	33%	0.333	C	S	.	.	I	π-helix	trans	-61.4	-53.1	178.7	177.9	-81.5	0	0	0	111.2	I328 A330 D334 I336 S337 L348 I350	I328-Y332 VanDerWaalsContact O-CB 3.3Å; I328-Y332 WeakPolarHBondContact O-CB 3.37Å; I328-Y332 PolarHBondContact O-N 2.74Å; A330-Y332 VanDerWaalsContact C-N 3.28Å; A330-Y332 PolarHBondContact O-N 3.2Å; Y332-D334 PolarHBondContact O-N 2.92Å; Y332-I336 VanDerWaalsContact CA-CG2 3.48Å; Y332-I336 HydrophobicContact CD1-CG2 4.33Å; Y332-I336 HydrophobicContact CD2-CB 4.5Å; Y332-I336 HydrophobicContact CD2-CG2 3.01Å; Y332-I336 HydrophobicContact CE2-CG2 3.32Å; Y332-I336 HydrophobicContact CG-CG2 3.52Å; Y332-I336 WeakPolarHBondContact O-CG2 3.37Å; Y332-I336 PolarHBondContact O-N 2.97Å; Y332-S337 WeakPolarHBondContact O-CB 3.24Å; Y332-S337 PolarHBondContact O-N 3.23Å; Y332-L348 HydrophobicContact CE2-CB 4.33Å; Y332-L348 HydrophobicContact CE2-CD2 3.69Å; Y332-L348 VanDerWaalsContact OH-CB 3.28Å; Y332-L348 WeakPolarHBondContact OH-CB 3.29Å; Y332-L348 PolarHBondContact OH-O 3.46Å; Y332-I350 HydrophobicContact CD1-CB 3.6Å; Y332-I350 HydrophobicContact CD1-CG1 3.91Å; Y332-I350 HydrophobicContact CD1-CG2 3.41Å; Y332-I350 VanDerWaalsContact CD1-CG2 3.41Å; Y332-I350 HydrophobicContact CD2-CB 4.24Å; Y332-I350 HydrophobicContact CD2-CD1 3.95Å; Y332-I350 HydrophobicContact CD2-CG1 4.09Å; Y332-I350 HydrophobicContact CE1-CB 3.79Å; Y332-I350 HydrophobicContact CE1-CG2 3.7Å; Y332-I350 HydrophobicContact CE2-CB 4.49Å; Y332-I350 HydrophobicContact CG-CB 3.88Å; Y332-I350 HydrophobicContact CG-CD1 4.06Å; Y332-I350 HydrophobicContact CG-CG1 3.7Å; Y332-I350 HydrophobicContact CG-CG2 4.12Å
333	K	86.1	Confident	87.5	Confident	62 Å²	62	71.8 Å²	71.8	27%	0.27	36%	0.363	S	S	.	.	I	π-helix	trans	-68.4	-34.6	-173	-73.1	-178.1	-175.5	172.6	0	113	L329 A330 I350 D351 V504	L329-K333 WeakPolarHBondContact O-CB 3.41Å; L329-K333 WeakPolarHBondContact O-CG 3.35Å; L329-K333 PolarHBondContact O-N 3.14Å; A330-K333 PolarHBondContact O-N 3.39Å; K333-I350 HydrophobicContact CG-CG2 4.5Å; K333-D351 WeakPolarHBondContact CE-OD1 3.4Å; K333-D351 IonicContact NZ-OD1 3.35Å; K333-D351 PolarHBondContact NZ-OD1 2.91Å; K333-D351 IonicContact NZ-OD2 2.68Å; K333-D351 PolarHBondContact NZ-OD2 2.94Å; K333-V504 HydrophobicContact CD-CG1 3.62Å
334	D	85.6	Confident	86.4	Confident	71 Å²	71	71 Å²	71	38%	0.38	36%	0.358	S	S	.	.	I	π-helix	trans	-87.7	-41.8	-175.6	-66.9	-25.4	0	0	0	113.4	A330 Y332 K507	A330-D334 WeakPolarHBondContact O-CB 3.3Å; A330-D334 PolarHBondContact O-N 3.37Å; Y332-D334 PolarHBondContact O-N 2.92Å; D334-K507 IonicContact OD1-NZ 3.12Å; D334-K507 PolarHBondContact OD1-NZ 3.32Å; D334-K507 IonicContact OD2-NZ 3.42Å; D334-K507 PolarHBondContact OD2-NZ 3.33Å
335	W	86.7	Confident	85.2	Confident	199 Å²	199	75.9 Å²	75.9	75%	0.754	37%	0.371	S	S	*	.	I	π-helix	trans	-107.2	-47.6	-169.6	-64.2	80.2	0	0	0	112.8	I331 P338	I331-W335 WeakPolarHBondContact O-CB 3.27Å; I331-W335 PolarHBondContact O-N 3.39Å; W335-P338 WeakPolarHBondContact O-CD 3.47Å; W335-P338 WeakPolarHBondContact O-CG 3.48Å
336	I	86.2	Confident	84	Confident	71 Å²	71	79.9 Å²	79.9	36%	0.364	39%	0.39	S	S	.	.	I	π-helix	trans	-85.9	-33.4	-173.2	-148.3	65.1	0	0	0	113	I331 Y332 F339 V340	I331-I336 PolarHBondContact O-N 3.45Å; Y332-I336 VanDerWaalsContact CA-CG2 3.48Å; Y332-I336 HydrophobicContact CD1-CG2 4.33Å; Y332-I336 HydrophobicContact CD2-CB 4.5Å; Y332-I336 HydrophobicContact CD2-CG2 3.01Å; Y332-I336 HydrophobicContact CE2-CG2 3.32Å; Y332-I336 HydrophobicContact CG-CG2 3.52Å; Y332-I336 WeakPolarHBondContact O-CG2 3.37Å; Y332-I336 PolarHBondContact O-N 2.97Å; I336-F339 HydrophobicContact CD1-CD1 4.49Å; I336-F339 WeakPolarHBondContact O-CA 3.32Å; I336-F339 WeakPolarHBondContact O-CB 3.35Å; I336-F339 PolarHBondContact O-N 3.45Å; I336-V340 HydrophobicContact CG1-CG2 4Å; I336-V340 HydrophobicContact CG2-CG2 4.37Å; I336-V340 WeakPolarHBondContact O-CG2 3.32Å; I336-V340 PolarHBondContact O-N 3.4Å
337	S	81.6	Confident	83	Confident	14 Å²	14	78.5 Å²	78.5	10%	0.098	38%	0.384	C	S	.	.	H	α-helix	trans	-54.4	-47.6	-179.5	-170.1	0	0	0	0	113.5	Y332 F339 V340 R341	Y332-S337 WeakPolarHBondContact O-CB 3.24Å; Y332-S337 PolarHBondContact O-N 3.23Å; S337-F339 PolarHBondContact O-N 2.81Å; S337-V340 PolarHBondContact O-N 3.21Å; S337-R341 WeakPolarHBondContact O-CB 3.1Å; S337-R341 WeakPolarHBondContact O-CD 3.42Å; S337-R341 WeakPolarHBondContact O-CG 3.43Å; S337-R341 PolarHBondContact O-N 2.89Å; S337-R341 PolarHBondContact OG-NE 3.45Å; S337-R341 VanDerWaalsContact OG-NE 3.15Å
338	P	79.4	Confident	82.3	Confident	67 Å²	67	79.2 Å²	79.2	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-64.5	-28.5	177.2	24.7	-34.4	0	0	0	113.1	W335	W335-P338 WeakPolarHBondContact O-CD 3.47Å; W335-P338 WeakPolarHBondContact O-CG 3.48Å
339	F	84	Confident	81.8	Confident	124 Å²	124	76.5 Å²	76.5	54%	0.544	37%	0.374	S	S	.	.	H	α-helix	trans	-75.1	-49.6	175.9	-175.8	-99.9	0	0	0	111.6	I336 S337 R341 K342 I343	I336-F339 HydrophobicContact CD1-CD1 4.49Å; I336-F339 WeakPolarHBondContact O-CA 3.32Å; I336-F339 WeakPolarHBondContact O-CB 3.35Å; I336-F339 PolarHBondContact O-N 3.45Å; S337-F339 PolarHBondContact O-N 2.81Å; F339-R341 PolarHBondContact O-N 3.3Å; F339-K342 WeakPolarHBondContact O-CB 3.48Å; F339-K342 PolarHBondContact O-N 2.84Å; F339-I343 HydrophobicContact CD1-CD1 3.95Å; F339-I343 HydrophobicContact CE1-CD1 3.4Å; F339-I343 VanDerWaalsContact CE1-CD1 3.4Å; F339-I343 HydrophobicContact CZ-CD1 3.78Å
340	V	78.8	Confident	81.6	Confident	32 Å²	32	77.4 Å²	77.4	19%	0.194	38%	0.379	C	S	.	.	H	α-helix	trans	-57.5	-39.7	177.7	172.8	0	0	0	0	110.8	I336 S337 K342 I343 S344	I336-V340 HydrophobicContact CG1-CG2 4Å; I336-V340 HydrophobicContact CG2-CG2 4.37Å; I336-V340 WeakPolarHBondContact O-CG2 3.32Å; I336-V340 PolarHBondContact O-N 3.4Å; S337-V340 PolarHBondContact O-N 3.21Å; V340-K342 PolarHBondContact O-N 3.43Å; V340-I343 PolarHBondContact O-N 2.95Å; V340-S344 WeakPolarHBondContact CG1-OG 3.43Å; V340-S344 PolarHBondContact O-N 2.88Å; V340-S344 PolarHBondContact O-OG 3.18Å
341	R	71.5	Confident	81.5	Confident	102 Å²	102	76.4 Å²	76.4	39%	0.385	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-21.7	178.1	-74.6	171.5	-175.1	-88.5	6.1	114.7	S337 F339 I343 S463	S337-R341 WeakPolarHBondContact O-CB 3.1Å; S337-R341 WeakPolarHBondContact O-CD 3.42Å; S337-R341 WeakPolarHBondContact O-CG 3.43Å; S337-R341 PolarHBondContact O-N 2.89Å; S337-R341 PolarHBondContact OG-NE 3.45Å; S337-R341 VanDerWaalsContact OG-NE 3.15Å; F339-R341 PolarHBondContact O-N 3.3Å; R341-I343 VanDerWaalsContact C-N 3.31Å; R341-S463 VanDerWaalsContact NH1-CB 3.29Å; R341-S463 PolarHBondContact NH1-OG 2.89Å; R341-S463 PolarHBondContact NH2-OG 2.72Å
342	K	77.1	Confident	81.2	Confident	183 Å²	183	74.2 Å²	74.2	80%	0.796	36%	0.358	S	S	*	.	H	α-helix	trans	-77.2	-22.2	173	-68.4	177.6	-178.3	-178.4	0	112	F339 V340	F339-K342 WeakPolarHBondContact O-CB 3.48Å; F339-K342 PolarHBondContact O-N 2.84Å; V340-K342 PolarHBondContact O-N 3.43Å
343	I	80.3	Confident	81.3	Confident	126 Å²	126	75.9 Å²	75.9	65%	0.646	37%	0.368	S	S	*	.	H	α-helix	trans	-101	-49.2	-173.9	-62.9	169.7	0	0	0	110.8	F339 V340 R341	F339-I343 HydrophobicContact CD1-CD1 3.95Å; F339-I343 HydrophobicContact CE1-CD1 3.4Å; F339-I343 VanDerWaalsContact CE1-CD1 3.4Å; F339-I343 HydrophobicContact CZ-CD1 3.78Å; V340-I343 PolarHBondContact O-N 2.95Å; R341-I343 VanDerWaalsContact C-N 3.31Å
344	S	73.6	Confident	81.5	Confident	46 Å²	46	73.3 Å²	73.3	32%	0.322	36%	0.357	S	S	.	.			trans	-109.6	132.1	-176.6	65	0	0	0	0	111.9	V340 I346	V340-S344 WeakPolarHBondContact CG1-OG 3.43Å; V340-S344 PolarHBondContact O-N 2.88Å; V340-S344 PolarHBondContact O-OG 3.18Å; S344-I346 VanDerWaalsContact C-N 3.25Å; S344-I346 PolarHBondContact O-N 2.92Å; S344-I346 PolarHBondContact OG-O 3.37Å; S344-I346 VanDerWaalsContact OG-O 3.11Å
345	F	69.4	Low	81.8	Confident	135 Å²	135	70.4 Å²	70.4	59%	0.592	34%	0.341	S	S	*	.	S	Bend	trans	-62.9	-31.3	174.8	-176.7	-103	0	0	0	112.8	N130 I133	N130-F345 WeakPolarHBondContact OD1-CZ 3.23Å; I133-F345 HydrophobicContact CD1-CD1 4.06Å; I133-F345 HydrophobicContact CD1-CE1 3.71Å
346	I	70.6	Confident	82	Confident	91 Å²	91	65 Å²	65	47%	0.467	33%	0.327	S	S	.	.	S	Bend	trans	-96.3	128.1	-178.4	-54	178.1	0	0	0	109.3	I133 S344	I133-I346 HydrophobicContact CG2-CD1 4.4Å; I133-I346 HydrophobicContact CG2-CG1 3.93Å; I133-I346 HydrophobicContact CG2-CG2 4.35Å; S344-I346 VanDerWaalsContact C-N 3.25Å; S344-I346 PolarHBondContact O-N 2.92Å; S344-I346 PolarHBondContact OG-O 3.37Å; S344-I346 VanDerWaalsContact OG-O 3.11Å
347	P	74.1	Confident	82.3	Confident	12 Å²	12	66.1 Å²	66.1	8%	0.078	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-70	132.1	174.2	29.2	-34.3	0	0	0	111	T137 A464	T137-P347 HydrophobicContact CG2-CG 3.54Å; P347-A464 HydrophobicContact CG-CB 4.32Å
348	L	81.4	Confident	82.8	Confident	83 Å²	83	65.7 Å²	65.7	44%	0.435	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-69.7	129.5	178.9	-176	83.8	0	0	0	110.9	Y332 I350 I353	Y332-L348 HydrophobicContact CE2-CB 4.33Å; Y332-L348 HydrophobicContact CE2-CD2 3.69Å; Y332-L348 VanDerWaalsContact OH-CB 3.28Å; Y332-L348 WeakPolarHBondContact OH-CB 3.29Å; Y332-L348 PolarHBondContact OH-O 3.46Å; L348-I350 VanDerWaalsContact C-N 3.33Å; L348-I350 PolarHBondContact O-N 2.66Å; L348-I353 HydrophobicContact CD1-CD1 3.91Å; L348-I353 HydrophobicContact CD2-CD1 3.97Å; L348-I353 HydrophobicContact CG-CD1 3.79Å
349	P	83.6	Confident	83.4	Confident	42 Å²	42	63.3 Å²	63.3	27%	0.273	31%	0.313	S	S	.	.			trans	-81.3	72.1	-176.8	33	-36.2	0	0	0	112.5	I140 D351 L352 I353	I140-P349 HydrophobicContact CB-CB 4.35Å; I140-P349 HydrophobicContact CD1-CB 4.34Å; I140-P349 HydrophobicContact CD1-CG 4.32Å; I140-P349 HydrophobicContact CG2-CB 3.41Å; I140-P349 VanDerWaalsContact CG2-CB 3.41Å; I140-P349 HydrophobicContact CG2-CG 4.25Å; P349-D351 PolarHBondContact O-N 3.47Å; P349-L352 HydrophobicContact CB-CB 4.45Å; P349-L352 PolarHBondContact O-N 3.13Å; P349-L352 VanDerWaalsContact O-N 3.14Å; P349-I353 WeakPolarHBondContact O-CG1 3.28Å; P349-I353 PolarHBondContact O-N 3.27Å; P349-I353 VanDerWaalsContact O-N 3.16Å
350	I	87.6	Confident	83.8	Confident	20 Å²	20	62 Å²	62	10%	0.103	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-35.3	-177.4	-166.2	63.9	0	0	0	113.2	L329 Y332 K333 L348 L352 I353 I354	L329-I350 HydrophobicContact CD2-CB 4.43Å; L329-I350 HydrophobicContact CD2-CG1 3.9Å; L329-I350 HydrophobicContact CD2-CG2 3.85Å; Y332-I350 HydrophobicContact CD1-CB 3.6Å; Y332-I350 HydrophobicContact CD1-CG1 3.91Å; Y332-I350 HydrophobicContact CD1-CG2 3.41Å; Y332-I350 VanDerWaalsContact CD1-CG2 3.41Å; Y332-I350 HydrophobicContact CD2-CB 4.24Å; Y332-I350 HydrophobicContact CD2-CD1 3.95Å; Y332-I350 HydrophobicContact CD2-CG1 4.09Å; Y332-I350 HydrophobicContact CE1-CB 3.79Å; Y332-I350 HydrophobicContact CE1-CG2 3.7Å; Y332-I350 HydrophobicContact CE2-CB 4.49Å; Y332-I350 HydrophobicContact CG-CB 3.88Å; Y332-I350 HydrophobicContact CG-CD1 4.06Å; Y332-I350 HydrophobicContact CG-CG1 3.7Å; Y332-I350 HydrophobicContact CG-CG2 4.12Å; K333-I350 HydrophobicContact CG-CG2 4.5Å; L348-I350 VanDerWaalsContact C-N 3.33Å; L348-I350 PolarHBondContact O-N 2.66Å; I350-L352 VanDerWaalsContact C-N 3.27Å; I350-L352 PolarHBondContact O-N 3.06Å; I350-I353 PolarHBondContact O-N 3.3Å; I350-I354 WeakPolarHBondContact O-CG2 3.18Å; I350-I354 PolarHBondContact O-N 2.63Å
351	D	89.7	Confident	84.4	Confident	9 Å²	9	62.8 Å²	62.8	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-63.1	-33.2	-179.2	-68.3	-0.5	0	0	0	111.4	P144 Q145 K333 P349 I354 V355 I501	P144-D351 HydrophobicContact CB-CB 4.46Å; P144-D351 HydrophobicContact CG-CB 4.26Å; P144-D351 WeakPolarHBondContact CG-O 3.46Å; Q145-D351 PolarHBondContact NE2-OD2 2.91Å; K333-D351 WeakPolarHBondContact CE-OD1 3.4Å; K333-D351 IonicContact NZ-OD1 3.35Å; K333-D351 PolarHBondContact NZ-OD1 2.91Å; K333-D351 IonicContact NZ-OD2 2.68Å; K333-D351 PolarHBondContact NZ-OD2 2.94Å; P349-D351 PolarHBondContact O-N 3.47Å; D351-I354 VanDerWaalsContact O-CG2 3.28Å; D351-I354 WeakPolarHBondContact O-CG2 3.5Å; D351-V355 VanDerWaalsContact O-CG2 3.31Å; D351-V355 WeakPolarHBondContact O-CG2 3.41Å; D351-I501 HydrophobicContact CB-CD1 4.47Å
352	L	88.9	Confident	85.3	Confident	47 Å²	47	58.2 Å²	58.2	25%	0.246	30%	0.299	C	S	.	.	H	α-helix	trans	-81.9	-41.5	176.4	179	65.1	0	0	0	111.4	I140 P144 P349 I350 I354 V355 I356	I140-L352 HydrophobicContact CG1-CD2 4.42Å; I140-L352 HydrophobicContact CG2-CB 3.53Å; I140-L352 HydrophobicContact CG2-CD2 3.56Å; I140-L352 HydrophobicContact CG2-CG 4.12Å; P144-L352 HydrophobicContact CG-CB 4.48Å; P349-L352 HydrophobicContact CB-CB 4.45Å; P349-L352 PolarHBondContact O-N 3.13Å; P349-L352 VanDerWaalsContact O-N 3.14Å; I350-L352 VanDerWaalsContact C-N 3.27Å; I350-L352 PolarHBondContact O-N 3.06Å; L352-I354 VanDerWaalsContact C-N 3.27Å; L352-I354 PolarHBondContact O-N 3.43Å; L352-V355 PolarHBondContact O-N 3.3Å; L352-V355 VanDerWaalsContact O-N 3.13Å; L352-I356 HydrophobicContact CD1-CD1 4.31Å; L352-I356 HydrophobicContact CD1-CG1 4.4Å; L352-I356 HydrophobicContact CD2-CD1 4.42Å; L352-I356 HydrophobicContact CG-CD1 3.93Å; L352-I356 HydrophobicContact CG-CG1 4.44Å; L352-I356 WeakPolarHBondContact O-CG1 3.11Å; L352-I356 PolarHBondContact O-N 3.36Å
353	I	90.7	Very high	85.9	Confident	57 Å²	57	58 Å²	58	29%	0.292	30%	0.295	S	S	.	.	H	α-helix	trans	-57.4	-44.3	178.2	-66.8	169.1	0	0	0	110.2	L348 P349 I350 V355 I356 I357	L348-I353 HydrophobicContact CD1-CD1 3.91Å; L348-I353 HydrophobicContact CD2-CD1 3.97Å; L348-I353 HydrophobicContact CG-CD1 3.79Å; P349-I353 WeakPolarHBondContact O-CG1 3.28Å; P349-I353 PolarHBondContact O-N 3.27Å; P349-I353 VanDerWaalsContact O-N 3.16Å; I350-I353 PolarHBondContact O-N 3.3Å; I353-V355 VanDerWaalsContact C-N 3.33Å; I353-V355 PolarHBondContact O-N 3Å; I353-I356 PolarHBondContact O-N 2.86Å; I353-I357 HydrophobicContact CG2-CD1 3.67Å; I353-I357 HydrophobicContact CG2-CG1 4.35Å; I353-I357 WeakPolarHBondContact O-CG1 3.49Å; I353-I357 PolarHBondContact O-N 3.48Å
354	I	91.7	Very high	86.3	Confident	9 Å²	9	56.3 Å²	56.3	5%	0.046	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-35.4	179.3	-161.7	162.6	0	0	0	112.5	C325 L329 I350 D351 L352 S358 I501	C325-I354 HydrophobicContact CB-CD1 3.61Å; C325-I354 HydrophobicContact CB-CG1 4.45Å; L329-I354 HydrophobicContact CD1-CD1 3.85Å; L329-I354 HydrophobicContact CD1-CG2 4.33Å; L329-I354 HydrophobicContact CD2-CD1 4.22Å; L329-I354 HydrophobicContact CD2-CG2 4.05Å; L329-I354 HydrophobicContact CG-CD1 3.63Å; L329-I354 HydrophobicContact CG-CG2 4.43Å; I350-I354 WeakPolarHBondContact O-CG2 3.18Å; I350-I354 PolarHBondContact O-N 2.63Å; D351-I354 VanDerWaalsContact O-CG2 3.28Å; D351-I354 WeakPolarHBondContact O-CG2 3.5Å; L352-I354 VanDerWaalsContact C-N 3.27Å; L352-I354 PolarHBondContact O-N 3.43Å; I354-S358 WeakPolarHBondContact O-CB 3.18Å; I354-S358 PolarHBondContact O-N 2.98Å; I354-S358 PolarHBondContact O-OG 2.89Å; I354-I501 HydrophobicContact CG2-CD1 4.1Å; I354-I501 HydrophobicContact CG2-CG1 4.31Å
355	V	91	Very high	87.1	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.055	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-45.9	174.3	170.1	0	0	0	0	110.1	P144 D351 L352 I353 S358 T359 V493 I501	P144-V355 HydrophobicContact CB-CG2 3.91Å; P144-V355 HydrophobicContact CG-CG2 4.05Å; D351-V355 VanDerWaalsContact O-CG2 3.31Å; D351-V355 WeakPolarHBondContact O-CG2 3.41Å; L352-V355 PolarHBondContact O-N 3.3Å; L352-V355 VanDerWaalsContact O-N 3.13Å; I353-V355 VanDerWaalsContact C-N 3.33Å; I353-V355 PolarHBondContact O-N 3Å; V355-S358 PolarHBondContact O-N 3.23Å; V355-T359 VanDerWaalsContact O-CB 3.31Å; V355-T359 WeakPolarHBondContact O-CB 3.38Å; V355-T359 PolarHBondContact O-N 3.35Å; V355-T359 PolarHBondContact O-OG1 2.92Å; V355-V493 HydrophobicContact CG1-CG1 4.29Å; V355-V493 HydrophobicContact CG1-CG2 4.04Å; V355-I501 HydrophobicContact CG2-CD1 3.71Å
356	I	91.2	Very high	88	Confident	86 Å²	86	55 Å²	55	44%	0.441	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-50.9	178.5	-66.4	167.7	0	0	0	110.6	L352 I353 S358 T359 I360	L352-I356 HydrophobicContact CD1-CD1 4.31Å; L352-I356 HydrophobicContact CD1-CG1 4.4Å; L352-I356 HydrophobicContact CD2-CD1 4.42Å; L352-I356 HydrophobicContact CG-CD1 3.93Å; L352-I356 HydrophobicContact CG-CG1 4.44Å; L352-I356 WeakPolarHBondContact O-CG1 3.11Å; L352-I356 PolarHBondContact O-N 3.36Å; I353-I356 PolarHBondContact O-N 2.86Å; I356-S358 PolarHBondContact O-N 2.9Å; I356-T359 WeakPolarHBondContact O-CB 3.2Å; I356-T359 PolarHBondContact O-N 3.44Å; I356-I360 HydrophobicContact CG2-CD1 3.88Å; I356-I360 WeakPolarHBondContact O-CG1 3.36Å; I356-I360 PolarHBondContact O-N 3.47Å
357	I	92.8	Very high	88.7	Confident	94 Å²	94	51.1 Å²	51.1	48%	0.482	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-46.9	178.8	-67.2	170.7	0	0	0	110.5	I353 T359 I360 V361	I353-I357 HydrophobicContact CG2-CD1 3.67Å; I353-I357 HydrophobicContact CG2-CG1 4.35Å; I353-I357 WeakPolarHBondContact O-CG1 3.49Å; I353-I357 PolarHBondContact O-N 3.48Å; I357-T359 VanDerWaalsContact C-N 3.27Å; I357-T359 PolarHBondContact O-N 2.87Å; I357-I360 PolarHBondContact O-N 3.37Å; I357-V361 HydrophobicContact CG2-CG2 4.43Å; I357-V361 WeakPolarHBondContact O-CG2 3.47Å; I357-V361 PolarHBondContact O-N 2.86Å
358	S	92	Very high	89.3	Confident	5 Å²	5	54.9 Å²	54.9	4%	0.035	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-34.3	179.9	-57.1	0	0	0	0	112	I354 V355 I356 S362 C497	I354-S358 WeakPolarHBondContact O-CB 3.18Å; I354-S358 PolarHBondContact O-N 2.98Å; I354-S358 PolarHBondContact O-OG 2.89Å; V355-S358 PolarHBondContact O-N 3.23Å; I356-S358 PolarHBondContact O-N 2.9Å; S358-S362 WeakPolarHBondContact O-CB 3.21Å; S358-S362 PolarHBondContact O-N 2.84Å; S358-C497 PolarHBondContact OG-SG 3.1Å
359	T	91.3	Very high	89.5	Confident	17 Å²	17	53.6 Å²	53.6	10%	0.104	30%	0.295	C	S	.	.	H	α-helix	trans	-68.4	-44	175.8	-55	0	0	0	0	111.1	V355 I356 I357 S362 Y363 L489 V493	V355-T359 VanDerWaalsContact O-CB 3.31Å; V355-T359 WeakPolarHBondContact O-CB 3.38Å; V355-T359 PolarHBondContact O-N 3.35Å; V355-T359 PolarHBondContact O-OG1 2.92Å; I356-T359 WeakPolarHBondContact O-CB 3.2Å; I356-T359 PolarHBondContact O-N 3.44Å; I357-T359 VanDerWaalsContact C-N 3.27Å; I357-T359 PolarHBondContact O-N 2.87Å; T359-S362 PolarHBondContact O-N 3.2Å; T359-Y363 WeakPolarHBondContact O-CB 3.49Å; T359-Y363 PolarHBondContact O-N 3.27Å; T359-L489 VanDerWaalsContact CG2-O 3.3Å; T359-L489 WeakPolarHBondContact CG2-O 3.28Å; T359-V493 HydrophobicContact CG2-CG2 4.41Å; T359-V493 WeakPolarHBondContact OG1-CG2 3.12Å
360	I	92.5	Very high	89.7	Confident	97 Å²	97	58.5 Å²	58.5	50%	0.497	31%	0.312	S	S	.	.	H	α-helix	trans	-62.1	-46.1	176.5	-67.2	166.5	0	0	0	110.4	I356 I357 S362 Y363 S364	I356-I360 HydrophobicContact CG2-CD1 3.88Å; I356-I360 WeakPolarHBondContact O-CG1 3.36Å; I356-I360 PolarHBondContact O-N 3.47Å; I357-I360 PolarHBondContact O-N 3.37Å; I360-S362 VanDerWaalsContact C-N 3.35Å; I360-Y363 PolarHBondContact O-N 2.86Å; I360-S364 VanDerWaalsContact O-CB 3.31Å; I360-S364 WeakPolarHBondContact O-CB 3.29Å; I360-S364 PolarHBondContact O-N 3.34Å; I360-S364 PolarHBondContact O-OG 3.46Å
361	V	91.8	Very high	89.7	Confident	49 Å²	49	61.9 Å²	61.9	30%	0.297	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-43	177.1	174.5	0	0	0	0	110.9	M321 I357 Y363 S364 V365 L367	M321-V361 HydrophobicContact CE-CG1 3.91Å; I357-V361 HydrophobicContact CG2-CG2 4.43Å; I357-V361 WeakPolarHBondContact O-CG2 3.47Å; I357-V361 PolarHBondContact O-N 2.86Å; V361-Y363 VanDerWaalsContact C-N 3.34Å; V361-Y363 PolarHBondContact O-N 2.63Å; V361-S364 PolarHBondContact O-N 2.95Å; V361-V365 HydrophobicContact CG1-CG2 4.29Å; V361-V365 WeakPolarHBondContact O-CB 3.3Å; V361-V365 WeakPolarHBondContact O-CG2 3.24Å; V361-V365 PolarHBondContact O-N 3.31Å; V361-L367 HydrophobicContact CG1-CD1 4.45Å
362	S	90.6	Very high	89.6	Confident	5 Å²	5	65.6 Å²	65.6	4%	0.035	34%	0.344	C	S	.	.	H	α-helix	trans	-58.4	-44.9	177.5	-174.3	0	0	0	0	112.4	S358 T359 I360 D366 L367 S492	S358-S362 WeakPolarHBondContact O-CB 3.21Å; S358-S362 PolarHBondContact O-N 2.84Å; T359-S362 PolarHBondContact O-N 3.2Å; I360-S362 VanDerWaalsContact C-N 3.35Å; S362-D366 WeakPolarHBondContact O-CA 3.12Å; S362-D366 PolarHBondContact O-N 3.04Å; S362-L367 PolarHBondContact O-N 3.33Å; S362-L367 VanDerWaalsContact O-N 3.09Å; S362-S492 WeakPolarHBondContact CB-O 3.38Å; S362-S492 PolarHBondContact OG-O 3.49Å
363	Y	88.8	Confident	89.6	Confident	178 Å²	178	63.4 Å²	63.4	70%	0.698	33%	0.333	S	S	*	.	H	α-helix	trans	-71.6	-46.7	178.7	-176.3	-100.6	0	0	0	112.7	T359 I360 V361 V365 D366	T359-Y363 WeakPolarHBondContact O-CB 3.49Å; T359-Y363 PolarHBondContact O-N 3.27Å; I360-Y363 PolarHBondContact O-N 2.86Å; V361-Y363 VanDerWaalsContact C-N 3.34Å; V361-Y363 PolarHBondContact O-N 2.63Å; Y363-V365 PolarHBondContact O-N 2.81Å; Y363-D366 PolarHBondContact O-N 2.94Å
364	S	89.7	Confident	89.5	Confident	91 Å²	91	63.2 Å²	63.2	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-69.2	-32.7	-175.8	-63.9	0	0	0	0	113.7	I360 V361	I360-S364 VanDerWaalsContact O-CB 3.31Å; I360-S364 WeakPolarHBondContact O-CB 3.29Å; I360-S364 PolarHBondContact O-N 3.34Å; I360-S364 PolarHBondContact O-OG 3.46Å; V361-S364 PolarHBondContact O-N 2.95Å
365	V	89.8	Confident	89.4	Confident	64 Å²	64	64 Å²	64	39%	0.388	33%	0.334	S	S	.	.	H	α-helix	trans	-95.5	-9.4	-178.3	-178.7	0	0	0	0	112	V361 Y363 L367 Y371	V361-V365 HydrophobicContact CG1-CG2 4.29Å; V361-V365 WeakPolarHBondContact O-CB 3.3Å; V361-V365 WeakPolarHBondContact O-CG2 3.24Å; V361-V365 PolarHBondContact O-N 3.31Å; Y363-V365 PolarHBondContact O-N 2.81Å; V365-L367 HydrophobicContact CB-CD2 4.26Å; V365-L367 HydrophobicContact CB-CG 4.45Å; V365-L367 HydrophobicContact CG1-CD2 3.96Å; V365-Y371 HydrophobicContact CG1-CD2 4.34Å; V365-Y371 HydrophobicContact CG1-CE2 3.72Å
366	D	88	Confident	89.2	Confident	89 Å²	89	64.6 Å²	64.6	48%	0.476	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	63.4	-167.1	-175	23.9	0	0	0	111.9	S362 Y363 H368 G369 K370	S362-D366 WeakPolarHBondContact O-CA 3.12Å; S362-D366 PolarHBondContact O-N 3.04Å; Y363-D366 PolarHBondContact O-N 2.94Å; D366-H368 PolarHBondContact O-N 3.24Å; D366-G369 PolarHBondContact O-N 2.99Å; D366-G369 PolarHBondContact OD1-N 2.97Å; D366-G369 VanDerWaalsContact OD1-N 3.11Å; D366-K370 VanDerWaalsContact O-CB 3.3Å; D366-K370 WeakPolarHBondContact O-CB 3.1Å; D366-K370 PolarHBondContact O-N 3.19Å
367	L	85.5	Confident	88.6	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-31.2	-177.5	-73.9	-176.3	0	0	0	112.7	V361 S362 V365 Y371 V373 F496	V361-L367 HydrophobicContact CG1-CD1 4.45Å; S362-L367 PolarHBondContact O-N 3.33Å; S362-L367 VanDerWaalsContact O-N 3.09Å; V365-L367 HydrophobicContact CB-CD2 4.26Å; V365-L367 HydrophobicContact CB-CG 4.45Å; V365-L367 HydrophobicContact CG1-CD2 3.96Å; L367-Y371 HydrophobicContact CD2-CD2 3.85Å; L367-Y371 HydrophobicContact CD2-CE2 4.4Å; L367-Y371 CarbonylContact O-C 3.53Å; L367-Y371 PolarHBondContact O-N 3.22Å; L367-V373 HydrophobicContact CB-CB 3.92Å; L367-V373 HydrophobicContact CB-CG1 4.35Å; L367-V373 HydrophobicContact CB-CG2 4.03Å; L367-V373 HydrophobicContact CD2-CG2 4.48Å; L367-V373 WeakPolarHBondContact O-CB 3.18Å; L367-V373 WeakPolarHBondContact O-CG2 3.36Å; L367-V373 PolarHBondContact O-N 3.16Å; L367-V373 VanDerWaalsContact O-N 3.1Å; L367-F496 HydrophobicContact CD1-CE1 4.38Å
368	H	86.6	Confident	87.8	Confident	91 Å²	91	65.6 Å²	65.6	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-73.1	-51.9	-179.2	-172.8	52.2	0	0	0	111.8	D366 D372 V373 I375	D366-H368 PolarHBondContact O-N 3.24Å; H368-D372 WeakPolarHBondContact O-CA 3.48Å; H368-D372 PolarHBondContact O-N 3.36Å; H368-V373 WeakPolarHBondContact CA-O 3.38Å; H368-V373 PolarHBondContact ND1-O 3.21Å; H368-I375 HydrophobicContact CB-CD1 3.94Å; H368-I375 HydrophobicContact CB-CG1 4.18Å; H368-I375 HydrophobicContact CB-CG2 3.98Å
369	G	86.6	Confident	86.9	Confident	56 Å²	56	66.3 Å²	66.3	58%	0.577	35%	0.346	S	S	*	.	H	α-helix	trans	-70	-46.8	-179.2	0	0	0	0	0	112.9	D366	D366-G369 PolarHBondContact O-N 2.99Å; D366-G369 PolarHBondContact OD1-N 2.97Å; D366-G369 VanDerWaalsContact OD1-N 3.11Å
370	K	87.2	Confident	85.9	Confident	145 Å²	145	67.7 Å²	67.7	63%	0.63	36%	0.36	S	S	*	.	H	α-helix	trans	-82.1	-33.7	-171.4	-171.8	173.1	178.2	176.1	0	114.4	D366	D366-K370 VanDerWaalsContact O-CB 3.3Å; D366-K370 WeakPolarHBondContact O-CB 3.1Å; D366-K370 PolarHBondContact O-N 3.19Å
371	Y	86.7	Confident	84.9	Confident	91 Å²	91	70.6 Å²	70.6	36%	0.357	37%	0.369	S	S	.	.	H	α-helix	trans	-121.6	10	-171.3	-63.2	-75.8	0	0	0	113.9	N315 P317 V365 L367 V373	N315-Y371 PolarHBondContact ND2-O 3.06Å; P317-Y371 HydrophobicContact CB-CD1 4.21Å; P317-Y371 HydrophobicContact CB-CG 4.38Å; P317-Y371 HydrophobicContact CG-CD1 3.71Å; P317-Y371 HydrophobicContact CG-CE1 4.34Å; P317-Y371 HydrophobicContact CG-CG 4.33Å; V365-Y371 HydrophobicContact CG1-CD2 4.34Å; V365-Y371 HydrophobicContact CG1-CE2 3.72Å; L367-Y371 HydrophobicContact CD2-CD2 3.85Å; L367-Y371 HydrophobicContact CD2-CE2 4.4Å; L367-Y371 CarbonylContact O-C 3.53Å; L367-Y371 PolarHBondContact O-N 3.22Å; Y371-V373 PolarHBondContact O-N 3.05Å; Y371-V373 VanDerWaalsContact O-N 3.1Å
372	D	88	Confident	84.3	Confident	87 Å²	87	68.6 Å²	68.6	47%	0.465	36%	0.358	S	S	.	.			trans	47.7	36.5	-174.9	-167.4	33.7	0	0	0	112.7	K290 N315 H368	K290-D372 IonicContact NZ-OD1 2.94Å; K290-D372 IonicContact NZ-OD2 3.21Å; K290-D372 PolarHBondContact NZ-OD2 2.95Å; N315-D372 PolarHBondContact ND2-O 3.24Å; H368-D372 WeakPolarHBondContact O-CA 3.48Å; H368-D372 PolarHBondContact O-N 3.36Å
373	V	89.2	Confident	84	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.012	37%	0.372	C	S	.	.			trans	-77.7	131.7	175.3	176	0	0	0	0	108.2	T318 L367 H368 Y371 I375 P494 F496	T318-V373 WeakPolarHBondContact OG1-CG2 3.23Å; L367-V373 HydrophobicContact CB-CB 3.92Å; L367-V373 HydrophobicContact CB-CG1 4.35Å; L367-V373 HydrophobicContact CB-CG2 4.03Å; L367-V373 HydrophobicContact CD2-CG2 4.48Å; L367-V373 WeakPolarHBondContact O-CB 3.18Å; L367-V373 WeakPolarHBondContact O-CG2 3.36Å; L367-V373 PolarHBondContact O-N 3.16Å; L367-V373 VanDerWaalsContact O-N 3.1Å; H368-V373 WeakPolarHBondContact CA-O 3.38Å; H368-V373 PolarHBondContact ND1-O 3.21Å; Y371-V373 PolarHBondContact O-N 3.05Å; Y371-V373 VanDerWaalsContact O-N 3.1Å; V373-I375 PolarHBondContact O-N 2.96Å; V373-P494 HydrophobicContact CG1-CB 4.29Å; V373-F496 HydrophobicContact CG1-CD1 3.81Å; V373-F496 HydrophobicContact CG1-CE1 3.87Å
374	K	88.6	Confident	83.8	Confident	52 Å²	52	65.6 Å²	65.6	23%	0.226	35%	0.351	C	S	.	.			trans	-72	124.7	179	-60.5	-179	-176.1	174.5	0	111	L289 I495	L289-K374 PolarHBondContact O-NZ 2.91Å; K374-I495 HydrophobicContact CB-CB 4.32Å; K374-I495 HydrophobicContact CB-CD1 3.86Å; K374-I495 HydrophobicContact CB-CG1 4.26Å; K374-I495 PolarHBondContact O-N 3.08Å
375	I	90.3	Very high	83.8	Confident	25 Å²	25	69.4 Å²	69.4	13%	0.128	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-107.5	162.8	172.7	60.3	170.3	0	0	0	110.5	H368 V373 G377 F491 V493	H368-I375 HydrophobicContact CB-CD1 3.94Å; H368-I375 HydrophobicContact CB-CG1 4.18Å; H368-I375 HydrophobicContact CB-CG2 3.98Å; V373-I375 PolarHBondContact O-N 2.96Å; I375-G377 VanDerWaalsContact C-N 3.29Å; I375-G377 PolarHBondContact O-N 3.35Å; I375-F491 HydrophobicContact CD1-CD1 4.38Å; I375-F491 HydrophobicContact CD1-CE1 3.85Å; I375-F491 HydrophobicContact CD1-CZ 4.1Å; I375-V493 WeakPolarHBondContact CA-O 3.46Å
376	V	85.2	Confident	83.8	Confident	22 Å²	22	70.2 Å²	70.2	13%	0.133	36%	0.359	C	S	.	.			trans	-61.7	-36.7	179.8	166.1	0	0	0	0	112.3	M147 P157 I379 V493 I495 L498	M147-V376 HydrophobicContact CE-CG1 4.36Å; M147-V376 HydrophobicContact CE-CG2 4.25Å; P157-V376 HydrophobicContact CB-CG1 4.08Å; P157-V376 HydrophobicContact CG-CB 4.44Å; P157-V376 HydrophobicContact CG-CG1 3.58Å; P157-V376 HydrophobicContact CG-CG2 4.11Å; V376-I379 HydrophobicContact CG1-CD1 3.47Å; V376-I379 VanDerWaalsContact CG1-CD1 3.47Å; V376-I379 HydrophobicContact CG1-CG1 3.95Å; V376-V493 HydrophobicContact CG2-CB 3.96Å; V376-V493 HydrophobicContact CG2-CG1 4.16Å; V376-V493 WeakPolarHBondContact CG2-O 3.28Å; V376-V493 PolarHBondContact N-O 2.92Å; V376-I495 HydrophobicContact CG2-CG1 4.45Å; V376-L498 HydrophobicContact CG2-CD1 3.83Å
377	G	80.7	Confident	83.8	Confident	17 Å²	17	70 Å²	70	18%	0.175	36%	0.355	C	S	.	.			trans	81.3	-164	-179.9	0	0	0	0	0	113.1	I375 I379 F491	I375-G377 VanDerWaalsContact C-N 3.29Å; I375-G377 PolarHBondContact O-N 3.35Å; G377-I379 PolarHBondContact O-N 2.58Å; G377-F491 PolarHBondContact N-O 3.2Å; G377-F491 WeakPolarHBondContact O-CA 3.49Å; G377-F491 VanDerWaalsContact O-CD2 3.29Å; G377-F491 WeakPolarHBondContact O-CD2 3.28Å
378	E	75.5	Confident	84.1	Confident	185 Å²	185	74.8 Å²	74.8	86%	0.864	39%	0.385	S	S	*	.			trans	-64.8	127.3	-170.6	-164.3	170.4	-176.3	0	0	112.6	F491	E378-F491 HydrophobicContact CB-CD2 4.5Å; E378-F491 HydrophobicContact CB-CE2 4.47Å
379	I	71.8	Confident	84.4	Confident	19 Å²	19	70.9 Å²	70.9	10%	0.097	37%	0.368	C	S	.	.			trans	-115.6	124	179.1	-76.3	169.9	0	0	0	108.4	M147 V158 V376 G377 K381 L490	M147-I379 HydrophobicContact CE-CD1 4.18Å; V158-I379 HydrophobicContact CG1-CG2 4.49Å; V158-I379 HydrophobicContact CG2-CB 3.84Å; V158-I379 HydrophobicContact CG2-CD1 4.45Å; V158-I379 HydrophobicContact CG2-CG1 3.65Å; V158-I379 HydrophobicContact CG2-CG2 3.4Å; V376-I379 HydrophobicContact CG1-CD1 3.47Å; V376-I379 VanDerWaalsContact CG1-CD1 3.47Å; V376-I379 HydrophobicContact CG1-CG1 3.95Å; G377-I379 PolarHBondContact O-N 2.58Å; I379-K381 PolarHBondContact O-N 3.26Å; I379-L490 HydrophobicContact CD1-CB 3.25Å; I379-L490 HydrophobicContact CD1-CD1 4.1Å; I379-L490 HydrophobicContact CD1-CG 4.32Å
380	A	70.7	Confident	84.6	Confident	47 Å²	47	72.1 Å²	72.1	39%	0.388	36%	0.361	S	S	.	.			trans	-56.2	132.6	171.5	0	0	0	0	0	110.5
381	K	71.7	Confident	84.6	Confident	157 Å²	157	69.3 Å²	69.3	68%	0.683	35%	0.352	S	S	*	.			trans	-78.9	138	177.4	-72.9	176.9	175.7	172.6	0	110.6	I379	I379-K381 PolarHBondContact O-N 3.26Å
382	G	79.7	Confident	84.8	Confident	7 Å²	7	69 Å²	69	7%	0.072	36%	0.364	C	S	.	.	S	Bend	trans	77.1	-163.8	170.8	0	0	0	0	0	114.6	Y162 L483	Y162-G382 PolarHBondContact OH-O 2.94Å; G382-L483 WeakPolarHBondContact CA-O 3.49Å; G382-L483 PolarHBondContact N-O 3.39Å
383	I	84.6	Confident	84.9	Confident	65 Å²	65	66.5 Å²	66.5	33%	0.333	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-94.5	125.5	180	-62.1	174.8	0	0	0	108.3	F165 F166 L483 F484	F165-I383 HydrophobicContact CE1-CD1 4.3Å; F166-I383 HydrophobicContact CE2-CG2 4.38Å; F166-I383 HydrophobicContact CZ-CG2 3.8Å; I383-L483 HydrophobicContact CG1-CD1 4.22Å; I383-F484 HydrophobicContact CD1-CE2 3.98Å; I383-F484 HydrophobicContact CD1-CZ 4.49Å; I383-F484 HydrophobicContact CG1-CE2 4.11Å; I383-F484 HydrophobicContact CG1-CZ 4.45Å
384	Q	84.4	Confident	85	Confident	56 Å²	56	66.6 Å²	66.6	26%	0.262	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-69.3	151.4	174.8	-73.6	178.6	-22.3	0	0	111.3	Y162 H447	Y162-Q384 HydrophobicContact CE2-CG 4.48Å; Q384-H447 PolarHBondContact OE1-CD2 3.07Å; Q384-H447 VanDerWaalsContact OE1-CD2 3.27Å
385	Y	88.7	Confident	84.9	Confident	171 Å²	171	66.6 Å²	66.6	67%	0.671	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-61.1	151.1	176.4	58.1	-95.2	0	0	0	110.4	E387 H447	Y385-E387 PolarHBondContact O-N 3.26Å; Y385-H447 PolarHBondContact O-CE1 3.43Å
386	P	90.2	Very high	84.9	Confident	80 Å²	80	70.7 Å²	70.7	52%	0.519	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-65.5	132.9	178.8	-20.2	32.7	0	0	0	111.8	F445 F446	P386-F445 CarbonylContact C-O 3.28Å; P386-F445 WeakPolarHBondContact CA-O 3.45Å; P386-F446 HydrophobicContact CB-CD1 4.49Å; P386-F446 HydrophobicContact CB-CE1 4.31Å; P386-F446 HydrophobicContact CG-CD1 4.07Å; P386-F446 HydrophobicContact CG-CE1 3.65Å; P386-F446 HydrophobicContact CG-CZ 4.22Å
387	E	88.8	Confident	85.1	Confident	84 Å²	84	71.1 Å²	71.1	39%	0.393	39%	0.394	S	S	.	.			trans	-119.4	138.1	176.2	-172.9	175.6	165.7	0	0	110.1	Y385 P389 F445 H447	Y385-E387 PolarHBondContact O-N 3.26Å; E387-P389 VanDerWaalsContact O-CD 3.28Å; E387-P389 WeakPolarHBondContact O-CD 3.43Å; E387-F445 PolarHBondContact N-O 3.46Å; E387-F445 VanDerWaalsContact O-CA 3.3Å; E387-F445 WeakPolarHBondContact O-CA 3.46Å; E387-H447 IonicContact OE2-NE2 3.81Å
388	V	92.2	Very high	85.6	Confident	111 Å²	111	74.7 Å²	74.7	67%	0.673	41%	0.408	S	S	*	.			trans	-78	118.4	179	-178.8	0	0	0	0	109.5	N390 F445	V388-N390 PolarHBondContact O-N 3.2Å; V388-F445 HydrophobicContact CB-CE1 4.38Å; V388-F445 HydrophobicContact CG1-CE1 4.18Å; V388-F445 HydrophobicContact CG2-CD1 4.38Å; V388-F445 HydrophobicContact CG2-CE1 4.14Å
389	P	92.8	Very high	86.3	Confident	9 Å²	9	67.7 Å²	67.7	6%	0.058	39%	0.385	C	S	.	.			trans	-66.2	130.5	-179.5	-21.3	34.4	0	0	0	111.7	L237 F241 E387 I391 S444	L237-P389 HydrophobicContact CB-CB 4.26Å; L237-P389 HydrophobicContact CB-CG 4.45Å; F241-P389 HydrophobicContact CB-CB 3.71Å; F241-P389 HydrophobicContact CB-CG 3.9Å; F241-P389 HydrophobicContact CD1-CB 4.43Å; F241-P389 HydrophobicContact CD2-CG 4.36Å; F241-P389 HydrophobicContact CG-CB 4.09Å; F241-P389 HydrophobicContact CG-CG 4.14Å; E387-P389 VanDerWaalsContact O-CD 3.28Å; E387-P389 WeakPolarHBondContact O-CD 3.43Å; P389-I391 PolarHBondContact O-N 3.02Å; P389-S444 WeakPolarHBondContact CG-OG 3.3Å
390	N	90.3	Very high	87.1	Confident	82 Å²	82	67.8 Å²	67.8	44%	0.439	39%	0.386	S	S	.	.			trans	-78.6	93.1	-179	-172.7	-2.3	0	0	0	111.7	A238 V388 S392 L393	A238-N390 WeakPolarHBondContact CB-O 3.36Å; V388-N390 PolarHBondContact O-N 3.2Å; N390-S392 VanDerWaalsContact CG-OG 3.28Å; N390-S392 PolarHBondContact ND2-OG 3.24Å; N390-S392 PolarHBondContact O-N 3.19Å; N390-S392 WeakPolarHBondContact OD1-CB 3.4Å; N390-S392 PolarHBondContact OD1-N 2.99Å; N390-S392 VanDerWaalsContact OD1-N 3.14Å; N390-S392 PolarHBondContact OD1-OG 3.29Å; N390-L393 HydrophobicContact CB-CD1 4.06Å; N390-L393 HydrophobicContact CB-CG 4.17Å; N390-L393 WeakPolarHBondContact O-CB 3.35Å; N390-L393 WeakPolarHBondContact O-CG 3.32Å; N390-L393 PolarHBondContact O-N 3.37Å
391	I	87.6	Confident	88.3	Confident	86 Å²	86	65.5 Å²	65.5	44%	0.441	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-62.5	-22.6	179.9	-162.8	164.8	0	0	0	113.9	F241 I245 P389 L393 M394	F241-I391 HydrophobicContact CD1-CB 4.29Å; F241-I391 HydrophobicContact CD1-CD1 4.09Å; F241-I391 HydrophobicContact CD1-CG1 4.45Å; F241-I391 HydrophobicContact CE1-CB 4.41Å; F241-I391 HydrophobicContact CE1-CD1 3.98Å; I245-I391 HydrophobicContact CD1-CD1 3.64Å; P389-I391 PolarHBondContact O-N 3.02Å; I391-L393 PolarHBondContact O-N 2.93Å; I391-L393 VanDerWaalsContact O-N 3.14Å; I391-M394 PolarHBondContact O-N 3.37Å
392	S	89.9	Confident	89.2	Confident	86 Å²	86	61.9 Å²	61.9	60%	0.601	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-61.5	-24.6	179.3	70.2	0	0	0	0	112.6	N390 M394	N390-S392 VanDerWaalsContact CG-OG 3.28Å; N390-S392 PolarHBondContact ND2-OG 3.24Å; N390-S392 PolarHBondContact O-N 3.19Å; N390-S392 WeakPolarHBondContact OD1-CB 3.4Å; N390-S392 PolarHBondContact OD1-N 2.99Å; N390-S392 VanDerWaalsContact OD1-N 3.14Å; N390-S392 PolarHBondContact OD1-OG 3.29Å; S392-M394 PolarHBondContact O-N 3.31Å
393	L	89.7	Confident	89.7	Confident	33 Å²	33	63.7 Å²	63.7	17%	0.173	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-67.1	-23.9	176	-62.2	179.1	0	0	0	113.1	P234 Y235 A238 N390 I391	P234-L393 HydrophobicContact CB-CD1 4.08Å; Y235-L393 HydrophobicContact CD1-CB 3.97Å; Y235-L393 HydrophobicContact CD1-CD1 4.44Å; Y235-L393 HydrophobicContact CE1-CB 3.65Å; Y235-L393 HydrophobicContact CE1-CD1 4.48Å; Y235-L393 HydrophobicContact CE1-CD2 4.35Å; Y235-L393 HydrophobicContact CE1-CG 4.38Å; A238-L393 HydrophobicContact CB-CB 4.39Å; N390-L393 HydrophobicContact CB-CD1 4.06Å; N390-L393 HydrophobicContact CB-CG 4.17Å; N390-L393 WeakPolarHBondContact O-CB 3.35Å; N390-L393 WeakPolarHBondContact O-CG 3.32Å; N390-L393 PolarHBondContact O-N 3.37Å; I391-L393 PolarHBondContact O-N 2.93Å; I391-L393 VanDerWaalsContact O-N 3.14Å
394	M	91.9	Very high	90	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.02	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-92.3	-6.5	-173.1	-66.2	-54	-57.5	0	0	114.4	F195 A238 L239 S242 I391 S392 H397 I398 T401	F195-M394 HydrophobicContact CE1-CE 4.39Å; F195-M394 HydrophobicContact CE1-SD 4.23Å; F195-M394 HydrophobicContact CE2-CE 4.06Å; F195-M394 HydrophobicContact CZ-CE 3.69Å; F195-M394 HydrophobicContact CZ-SD 3.64Å; A238-M394 HydrophobicContact CB-CG 3.72Å; A238-M394 HydrophobicContact CB-SD 4.14Å; L239-M394 HydrophobicContact CB-CE 4.18Å; L239-M394 HydrophobicContact CB-SD 4.24Å; L239-M394 HydrophobicContact CD1-CE 3.6Å; S242-M394 WeakPolarHBondContact OG-CG 3.32Å; I391-M394 PolarHBondContact O-N 3.37Å; S392-M394 PolarHBondContact O-N 3.31Å; M394-H397 HydrophobicContact CE-CB 3.96Å; M394-H397 CarbonylContact O-C 3.6Å; M394-H397 VanDerWaalsContact O-C 3.32Å; M394-H397 WeakPolarHBondContact O-CA 3.23Å; M394-H397 PolarHBondContact O-N 2.98Å; M394-I398 PolarHBondContact O-N 2.88Å; M394-T401 WeakPolarHBondContact CE-OG1 3.44Å
395	G	87.2	Confident	90.5	Very high	53 Å²	53	58.1 Å²	58.1	55%	0.546	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-51.2	-55.4	-178.5	0	0	0	0	0	113.6	H397	G395-H397 PolarHBondContact O-N 3.29Å
396	P	89.2	Confident	90.5	Very high	110 Å²	110	51.4 Å²	51.4	71%	0.714	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-67.6	-14.8	177.7	-20.1	33.2	0	0	0	114.4
397	H	90.7	Very high	90.3	Very high	31 Å²	31	47.7 Å²	47.7	14%	0.144	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-116.6	27.6	-170.4	-54.3	-55.1	0	0	0	112.6	F195 M394 G395 G399 D400 T401	F195-H397 HydrophobicContact CE2-CB 3.67Å; F195-H397 AromaticContact CE2-CG 3.8Å; F195-H397 HydrophobicContact CZ-CB 4.35Å; M394-H397 HydrophobicContact CE-CB 3.96Å; M394-H397 CarbonylContact O-C 3.6Å; M394-H397 VanDerWaalsContact O-C 3.32Å; M394-H397 WeakPolarHBondContact O-CA 3.23Å; M394-H397 PolarHBondContact O-N 2.98Å; G395-H397 PolarHBondContact O-N 3.29Å; H397-G399 PolarHBondContact O-N 3.29Å; H397-D400 PolarHBondContact O-N 3.46Å; H397-T401 PolarHBondContact O-N 3.4Å; H397-T401 PolarHBondContact O-OG1 2.9Å
398	I	91.1	Very high	90.4	Very high	92 Å²	92	43.8 Å²	43.8	47%	0.472	27%	0.27	S	S	.	.	H	α-helix	trans	-61.5	-30.9	178.8	-163.5	62.3	0	0	0	112.2	M394 T401 I402	M394-I398 PolarHBondContact O-N 2.88Å; I398-T401 WeakPolarHBondContact O-CB 3.48Å; I398-T401 PolarHBondContact O-N 3.46Å; I398-I402 HydrophobicContact CG1-CD1 4.21Å; I398-I402 WeakPolarHBondContact O-CG1 3.37Å; I398-I402 PolarHBondContact O-N 2.94Å
399	G	89	Confident	90.4	Very high	38 Å²	38	38.5 Å²	38.5	39%	0.392	24%	0.238	S	C	.	.	H	α-helix	trans	-58.9	-48.9	175.9	0	0	0	0	0	112.4	H397 T401 I402 I403	H397-G399 PolarHBondContact O-N 3.29Å; G399-T401 VanDerWaalsContact C-N 3.28Å; G399-T401 PolarHBondContact O-N 2.89Å; G399-I402 PolarHBondContact O-N 3.49Å; G399-I403 VanDerWaalsContact O-CG1 3.26Å; G399-I403 WeakPolarHBondContact O-CG1 3.26Å; G399-I403 PolarHBondContact O-N 3.03Å
400	D	89.5	Confident	90.1	Very high	21 Å²	21	38.2 Å²	38.2	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-35.4	176.7	-67.3	-76.6	0	0	0	112.7	F195 R198 H397 S404 N543	F195-D400 HydrophobicContact CD2-CB 3.92Å; F195-D400 HydrophobicContact CE2-CB 4.42Å; R198-D400 IonicContact CZ-OD1 3.77Å; R198-D400 IonicContact CZ-OD2 2.75Å; R198-D400 IonicContact NH2-OD1 2.82Å; R198-D400 PolarHBondContact NH2-OD1 2.98Å; R198-D400 IonicContact NH2-OD2 2.67Å; R198-D400 PolarHBondContact NH2-OD2 3.5Å; H397-D400 PolarHBondContact O-N 3.46Å; D400-S404 VanDerWaalsContact O-CB 3.23Å; D400-S404 WeakPolarHBondContact O-CB 3.49Å; D400-S404 PolarHBondContact O-N 3.35Å; D400-S404 PolarHBondContact O-OG 3.1Å; D400-N543 PolarHBondContact OD1-ND2 2.79Å
401	T	94.6	Very high	89.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-49	175.6	-56.2	0	0	0	0	110.8	S242 V243 V246 M394 H397 I398 G399 S404 A405	S242-T401 VanDerWaalsContact CB-CG2 3.44Å; S242-T401 WeakPolarHBondContact O-CG2 3.3Å; V243-T401 HydrophobicContact CG2-CG2 4.22Å; V246-T401 HydrophobicContact CG2-CG2 3.82Å; M394-T401 WeakPolarHBondContact CE-OG1 3.44Å; H397-T401 PolarHBondContact O-N 3.4Å; H397-T401 PolarHBondContact O-OG1 2.9Å; I398-T401 WeakPolarHBondContact O-CB 3.48Å; I398-T401 PolarHBondContact O-N 3.46Å; G399-T401 VanDerWaalsContact C-N 3.28Å; G399-T401 PolarHBondContact O-N 2.89Å; T401-S404 PolarHBondContact O-N 2.7Å; T401-A405 WeakPolarHBondContact O-CB 3.36Å; T401-A405 PolarHBondContact O-N 3.42Å
402	I	92.1	Very high	90.1	Very high	81 Å²	81	31.5 Å²	31.5	42%	0.415	20%	0.201	S	C	.	.	H	α-helix	trans	-63.9	-45.2	179.6	-67.5	166.8	0	0	0	110.3	I398 G399 A405 V406	I398-I402 HydrophobicContact CG1-CD1 4.21Å; I398-I402 WeakPolarHBondContact O-CG1 3.37Å; I398-I402 PolarHBondContact O-N 2.94Å; G399-I402 PolarHBondContact O-N 3.49Å; I402-A405 PolarHBondContact O-N 2.91Å; I402-V406 HydrophobicContact CG2-CG2 4.24Å; I402-V406 WeakPolarHBondContact O-CB 3.35Å; I402-V406 VanDerWaalsContact O-CG2 3.24Å; I402-V406 WeakPolarHBondContact O-CG2 3.34Å; I402-V406 PolarHBondContact O-N 3.42Å
403	I	89.3	Confident	90.1	Very high	44 Å²	44	27.4 Å²	27.4	23%	0.226	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-50.1	178.7	-68.3	166.3	0	0	0	110.4	G399 A405 V406 I407 N543	G399-I403 VanDerWaalsContact O-CG1 3.26Å; G399-I403 WeakPolarHBondContact O-CG1 3.26Å; G399-I403 PolarHBondContact O-N 3.03Å; I403-A405 VanDerWaalsContact C-N 3.34Å; I403-A405 PolarHBondContact O-N 3.37Å; I403-V406 PolarHBondContact O-N 3.34Å; I403-I407 HydrophobicContact CG2-CD1 3.62Å; I403-I407 HydrophobicContact CG2-CG1 4.44Å; I403-I407 WeakPolarHBondContact O-CB 3.19Å; I403-I407 WeakPolarHBondContact O-CG1 3.39Å; I403-I407 PolarHBondContact O-N 2.97Å; I403-N543 HydrophobicContact CD1-CB 4.16Å
404	S	91.3	Very high	89.9	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.028	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-41	179.1	-60.7	0	0	0	0	112	D400 T401 G408	D400-S404 VanDerWaalsContact O-CB 3.23Å; D400-S404 WeakPolarHBondContact O-CB 3.49Å; D400-S404 PolarHBondContact O-N 3.35Å; D400-S404 PolarHBondContact O-OG 3.1Å; T401-S404 PolarHBondContact O-N 2.7Å; S404-G408 PolarHBondContact O-N 2.96Å
405	A	93.7	Very high	89.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-48.9	177.1	0	0	0	0	0	112.4	V243 V246 Q247 T401 I402 I403 I409	V243-A405 HydrophobicContact CG1-CB 4.13Å; V246-A405 HydrophobicContact CB-CB 3.95Å; V246-A405 HydrophobicContact CG1-CB 3.66Å; Q247-A405 HydrophobicContact CG-CB 3.87Å; Q247-A405 PolarHBondContact NE2-O 2.91Å; T401-A405 WeakPolarHBondContact O-CB 3.36Å; T401-A405 PolarHBondContact O-N 3.42Å; I402-A405 PolarHBondContact O-N 2.91Å; I403-A405 VanDerWaalsContact C-N 3.34Å; I403-A405 PolarHBondContact O-N 3.37Å; A405-I409 VanDerWaalsContact O-CG2 3.3Å; A405-I409 WeakPolarHBondContact O-CG2 3.23Å; A405-I409 PolarHBondContact O-N 3.23Å; A405-I409 VanDerWaalsContact O-N 3.1Å
406	V	89.8	Confident	89.9	Confident	31 Å²	31	25.6 Å²	25.6	19%	0.188	15%	0.153	C	C	.	.	H	α-helix	trans	-66.3	-45.1	-179.5	172.2	0	0	0	0	110.8	M250 F262 I402 I403 I409 S410	M250-V406 HydrophobicContact CE-CG2 4.08Å; M250-V406 HydrophobicContact SD-CG2 4.26Å; F262-V406 HydrophobicContact CE1-CG1 4.16Å; F262-V406 HydrophobicContact CE2-CG1 4.03Å; F262-V406 HydrophobicContact CZ-CG1 3.34Å; I402-V406 HydrophobicContact CG2-CG2 4.24Å; I402-V406 WeakPolarHBondContact O-CB 3.35Å; I402-V406 VanDerWaalsContact O-CG2 3.24Å; I402-V406 WeakPolarHBondContact O-CG2 3.34Å; I402-V406 PolarHBondContact O-N 3.42Å; I403-V406 PolarHBondContact O-N 3.34Å; V406-I409 WeakPolarHBondContact O-CG2 3.5Å; V406-S410 WeakPolarHBondContact O-CB 3.3Å; V406-S410 PolarHBondContact O-N 2.87Å; V406-S410 PolarHBondContact O-OG 2.91Å
407	I	86.4	Confident	89.9	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-49	178.1	-69.6	170.7	0	0	0	110.8	V187 L191 F270 I403 I409 S410 I411 L546	V187-I407 HydrophobicContact CG1-CG2 3.72Å; L191-I407 HydrophobicContact CD1-CB 4.1Å; L191-I407 HydrophobicContact CD1-CD1 3.55Å; L191-I407 HydrophobicContact CD1-CG1 4.42Å; L191-I407 HydrophobicContact CD1-CG2 3.96Å; L191-I407 HydrophobicContact CD2-CD1 4.31Å; F270-I407 HydrophobicContact CE1-CG2 4.33Å; F270-I407 HydrophobicContact CZ-CD1 3.93Å; I403-I407 HydrophobicContact CG2-CD1 3.62Å; I403-I407 HydrophobicContact CG2-CG1 4.44Å; I403-I407 WeakPolarHBondContact O-CB 3.19Å; I403-I407 WeakPolarHBondContact O-CG1 3.39Å; I403-I407 PolarHBondContact O-N 2.97Å; I407-I409 VanDerWaalsContact C-N 3.31Å; I407-I409 PolarHBondContact O-N 2.88Å; I407-S410 PolarHBondContact O-N 3.34Å; I407-I411 HydrophobicContact CG2-CD1 3.66Å; I407-I411 HydrophobicContact CG2-CG1 4.4Å; I407-I411 WeakPolarHBondContact O-CG1 3.33Å; I407-I411 PolarHBondContact O-N 3.39Å; I407-L546 HydrophobicContact CD1-CB 4.3Å; I407-L546 HydrophobicContact CD1-CD2 3.65Å; I407-L546 HydrophobicContact CD1-CG 4.45Å; I407-L546 HydrophobicContact CG1-CD1 4.5Å; I407-L546 HydrophobicContact CG1-CD2 3.29Å; I407-L546 HydrophobicContact CG1-CG 4.3Å
408	G	90.9	Very high	89.7	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-56.7	-44.2	-178.3	0	0	0	0	0	112.2	S404 S412	S404-G408 PolarHBondContact O-N 2.96Å; G408-S412 VanDerWaalsContact O-CB 3.3Å; G408-S412 WeakPolarHBondContact O-CB 3.35Å; G408-S412 PolarHBondContact O-N 2.94Å; G408-S412 PolarHBondContact O-OG 3.16Å
409	I	92	Very high	89.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-75.2	-42.1	177.4	-168.1	69.4	0	0	0	112.7	I259 A405 V406 I407 I411 S412 V413 E432 L433 F436	I259-I409 HydrophobicContact CD1-CG1 3.92Å; I259-I409 HydrophobicContact CD1-CG2 4.19Å; A405-I409 VanDerWaalsContact O-CG2 3.3Å; A405-I409 WeakPolarHBondContact O-CG2 3.23Å; A405-I409 PolarHBondContact O-N 3.23Å; A405-I409 VanDerWaalsContact O-N 3.1Å; V406-I409 WeakPolarHBondContact O-CG2 3.5Å; I407-I409 VanDerWaalsContact C-N 3.31Å; I407-I409 PolarHBondContact O-N 2.88Å; I409-I411 PolarHBondContact O-N 3.42Å; I409-S412 PolarHBondContact O-N 3.29Å; I409-V413 HydrophobicContact CD1-CG2 3.77Å; I409-V413 HydrophobicContact CG1-CG2 3.79Å; I409-V413 WeakPolarHBondContact O-CB 3.14Å; I409-V413 WeakPolarHBondContact O-CG2 3.3Å; I409-V413 PolarHBondContact O-N 3.06Å; I409-E432 HydrophobicContact CD1-CB 4.33Å; I409-L433 HydrophobicContact CB-CD2 4.16Å; I409-L433 HydrophobicContact CD1-CD2 4.23Å; I409-L433 HydrophobicContact CD1-CG 4.34Å; I409-L433 HydrophobicContact CG1-CD2 3.58Å; I409-L433 HydrophobicContact CG1-CG 3.97Å; I409-L433 HydrophobicContact CG2-CD2 3.98Å; I409-F436 HydrophobicContact CD1-CB 3.81Å; I409-F436 HydrophobicContact CD1-CD2 3.49Å; I409-F436 VanDerWaalsContact CD1-CD2 3.49Å; I409-F436 HydrophobicContact CD1-CE2 4.26Å; I409-F436 HydrophobicContact CD1-CG 3.71Å
410	S	86.9	Confident	89.8	Confident	4 Å²	4	21.5 Å²	21.5	3%	0.028	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-45.5	-176.3	-73.9	0	0	0	0	112	F262 V406 I407 S414	F262-S410 VanDerWaalsContact CE1-OG 3.31Å; F262-S410 WeakPolarHBondContact CE1-OG 3.48Å; V406-S410 WeakPolarHBondContact O-CB 3.3Å; V406-S410 PolarHBondContact O-N 2.87Å; V406-S410 PolarHBondContact O-OG 2.91Å; I407-S410 PolarHBondContact O-N 3.34Å; S410-S414 VanDerWaalsContact O-CB 3.27Å; S410-S414 WeakPolarHBondContact O-CB 3.33Å; S410-S414 PolarHBondContact O-N 2.98Å; S410-S414 PolarHBondContact O-OG 3.45Å
411	I	85.2	Confident	89.8	Confident	26 Å²	26	25.7 Å²	25.7	13%	0.133	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-45.2	175.8	-66	173.5	0	0	0	110.1	M185 V187 I407 I409 S414 L415	M185-I411 HydrophobicContact CE-CB 4.46Å; M185-I411 HydrophobicContact CE-CD1 3.8Å; M185-I411 HydrophobicContact CE-CG2 4.05Å; V187-I411 HydrophobicContact CB-CD1 4.06Å; V187-I411 HydrophobicContact CG1-CD1 4.1Å; V187-I411 HydrophobicContact CG2-CD1 3.82Å; I407-I411 HydrophobicContact CG2-CD1 3.66Å; I407-I411 HydrophobicContact CG2-CG1 4.4Å; I407-I411 WeakPolarHBondContact O-CG1 3.33Å; I407-I411 PolarHBondContact O-N 3.39Å; I409-I411 PolarHBondContact O-N 3.42Å; I411-S414 PolarHBondContact O-N 3.28Å; I411-L415 HydrophobicContact CG2-CD1 4.01Å; I411-L415 HydrophobicContact CG2-CG 4.43Å; I411-L415 WeakPolarHBondContact O-CG 3.46Å; I411-L415 PolarHBondContact O-N 3.32Å
412	S	91.4	Very high	89.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-43.7	-176.2	-59.1	0	0	0	0	113.2	G408 I409 S414 L415 A416 F436 A453	G408-S412 VanDerWaalsContact O-CB 3.3Å; G408-S412 WeakPolarHBondContact O-CB 3.35Å; G408-S412 PolarHBondContact O-N 2.94Å; G408-S412 PolarHBondContact O-OG 3.16Å; I409-S412 PolarHBondContact O-N 3.29Å; S412-S414 VanDerWaalsContact C-N 3.32Å; S412-S414 PolarHBondContact O-N 3.45Å; S412-L415 PolarHBondContact O-N 2.87Å; S412-A416 WeakPolarHBondContact O-CB 3.21Å; S412-A416 PolarHBondContact O-N 3.35Å; S412-F436 VanDerWaalsContact OG-CE1 3.3Å; S412-F436 WeakPolarHBondContact OG-CE1 3.45Å; S412-F436 VanDerWaalsContact OG-CZ 3.29Å; S412-F436 WeakPolarHBondContact OG-CZ 3.24Å; S412-A453 PolarHBondContact OG-N 2.85Å
413	V	90.2	Very high	89.5	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-37.5	175.3	168.6	0	0	0	0	111	I259 I409 A416 R417 T429 E432	I259-V413 HydrophobicContact CD1-CB 4.05Å; I259-V413 HydrophobicContact CD1-CG1 4.21Å; I259-V413 HydrophobicContact CD1-CG2 3.84Å; I259-V413 HydrophobicContact CG2-CB 4.48Å; I259-V413 HydrophobicContact CG2-CG1 4.23Å; I409-V413 HydrophobicContact CD1-CG2 3.77Å; I409-V413 HydrophobicContact CG1-CG2 3.79Å; I409-V413 WeakPolarHBondContact O-CB 3.14Å; I409-V413 WeakPolarHBondContact O-CG2 3.3Å; I409-V413 PolarHBondContact O-N 3.06Å; V413-A416 PolarHBondContact O-N 3.43Å; V413-R417 HydrophobicContact CG1-CG 4.4Å; V413-R417 WeakPolarHBondContact O-CB 3.39Å; V413-R417 VanDerWaalsContact O-CG 3.32Å; V413-R417 WeakPolarHBondContact O-CG 3.47Å; V413-R417 PolarHBondContact O-N 3.1Å; V413-T429 HydrophobicContact CG1-CG2 3.85Å; V413-T429 HydrophobicContact CG2-CG2 4.17Å; V413-E432 HydrophobicContact CG2-CB 3.83Å; V413-E432 HydrophobicContact CG2-CG 4.33Å
414	S	85.2	Confident	89.5	Confident	37 Å²	37	39.2 Å²	39.2	26%	0.259	19%	0.194	S	C	.	.	H	α-helix	trans	-64.5	-46.7	177.3	-60.8	0	0	0	0	111.1	S410 I411 S412 A416 R417 I418	S410-S414 VanDerWaalsContact O-CB 3.27Å; S410-S414 WeakPolarHBondContact O-CB 3.33Å; S410-S414 PolarHBondContact O-N 2.98Å; S410-S414 PolarHBondContact O-OG 3.45Å; I411-S414 PolarHBondContact O-N 3.28Å; S412-S414 VanDerWaalsContact C-N 3.32Å; S412-S414 PolarHBondContact O-N 3.45Å; S414-A416 VanDerWaalsContact C-N 3.34Å; S414-A416 PolarHBondContact O-N 3.25Å; S414-R417 PolarHBondContact O-N 3.35Å; S414-I418 VanDerWaalsContact O-CG1 3.32Å; S414-I418 WeakPolarHBondContact O-CG1 3.34Å; S414-I418 PolarHBondContact O-N 3.42Å
415	L	88.2	Confident	89.4	Confident	15 Å²	15	40.4 Å²	40.4	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-45.7	173.1	-73.2	174.5	0	0	0	111.9	I180 I411 S412 R417 I418 F419 A453 L455	I180-L415 HydrophobicContact CG2-CB 4.41Å; I411-L415 HydrophobicContact CG2-CD1 4.01Å; I411-L415 HydrophobicContact CG2-CG 4.43Å; I411-L415 WeakPolarHBondContact O-CG 3.46Å; I411-L415 PolarHBondContact O-N 3.32Å; S412-L415 PolarHBondContact O-N 2.87Å; L415-R417 VanDerWaalsContact C-N 3.33Å; L415-R417 PolarHBondContact O-N 2.69Å; L415-I418 PolarHBondContact O-N 3.29Å; L415-F419 VanDerWaalsContact O-CD2 3.27Å; L415-F419 WeakPolarHBondContact O-CD2 3.48Å; L415-F419 PolarHBondContact O-N 2.91Å; L415-F419 VanDerWaalsContact O-N 3.16Å; L415-A453 HydrophobicContact CD1-CB 4.08Å; L415-A453 WeakPolarHBondContact CD1-O 3.19Å; L415-L455 HydrophobicContact CD1-CB 4.38Å; L415-L455 HydrophobicContact CD2-CB 3.88Å; L415-L455 HydrophobicContact CD2-CD1 3.62Å; L415-L455 HydrophobicContact CD2-CG 4.23Å
416	A	91.9	Very high	89.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-47.1	178.7	0	0	0	0	0	110.3	I180 S412 V413 S414 I418 F419 A420 I427	I180-A416 HydrophobicContact CD1-CB 4.11Å; I180-A416 HydrophobicContact CG2-CB 3.93Å; S412-A416 WeakPolarHBondContact O-CB 3.21Å; S412-A416 PolarHBondContact O-N 3.35Å; V413-A416 PolarHBondContact O-N 3.43Å; S414-A416 VanDerWaalsContact C-N 3.34Å; S414-A416 PolarHBondContact O-N 3.25Å; A416-I418 PolarHBondContact O-N 3.42Å; A416-F419 PolarHBondContact O-N 3.48Å; A416-A420 VanDerWaalsContact O-CB 3.3Å; A416-A420 WeakPolarHBondContact O-CB 3.48Å; A416-A420 PolarHBondContact O-N 2.86Å; A416-I427 HydrophobicContact CB-CD1 3.36Å; A416-I427 WeakPolarHBondContact O-CD1 3.36Å
417	R	88.2	Confident	89	Confident	92 Å²	92	50.2 Å²	50.2	35%	0.347	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-43.4	176.8	-77.9	178.7	179.4	176.7	5.6	112.4	V413 S414 L415 F419 A420 T421 T429	V413-R417 HydrophobicContact CG1-CG 4.4Å; V413-R417 WeakPolarHBondContact O-CB 3.39Å; V413-R417 VanDerWaalsContact O-CG 3.32Å; V413-R417 WeakPolarHBondContact O-CG 3.47Å; V413-R417 PolarHBondContact O-N 3.1Å; S414-R417 PolarHBondContact O-N 3.35Å; L415-R417 VanDerWaalsContact C-N 3.33Å; L415-R417 PolarHBondContact O-N 2.69Å; R417-F419 VanDerWaalsContact C-N 3.34Å; R417-F419 PolarHBondContact O-N 3.33Å; R417-A420 PolarHBondContact O-N 3.06Å; R417-T421 PolarHBondContact O-N 3.27Å; R417-T421 PolarHBondContact O-OG1 2.97Å; R417-T421 VanDerWaalsContact O-OG1 3.12Å; R417-T429 PolarHBondContact NH2-OG1 2.94Å
418	I	87.4	Confident	89.1	Confident	84 Å²	84	53.6 Å²	53.6	43%	0.431	26%	0.257	S	S	.	.	H	α-helix	trans	-56.5	-48.9	177.4	-69.3	163.7	0	0	0	110.5	S414 L415 A416 R422	S414-I418 VanDerWaalsContact O-CG1 3.32Å; S414-I418 WeakPolarHBondContact O-CG1 3.34Å; S414-I418 PolarHBondContact O-N 3.42Å; L415-I418 PolarHBondContact O-N 3.29Å; A416-I418 PolarHBondContact O-N 3.42Å; I418-R422 WeakPolarHBondContact O-CG 3.42Å; I418-R422 PolarHBondContact O-N 2.95Å; I418-R422 VanDerWaalsContact O-N 3.08Å
419	F	89.7	Confident	89.1	Confident	7 Å²	7	54.3 Å²	54.3	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-71.4	-33.2	178.3	-71.9	-67.4	0	0	0	113	H179 I180 L415 A416 R417 R422 F423 S458 V462	H179-F419 HydrophobicContact CB-CB 3.97Å; H179-F419 HydrophobicContact CB-CD1 4.37Å; H179-F419 HydrophobicContact CB-CG 4.08Å; I180-F419 HydrophobicContact CG2-CD2 4.3Å; L415-F419 VanDerWaalsContact O-CD2 3.27Å; L415-F419 WeakPolarHBondContact O-CD2 3.48Å; L415-F419 PolarHBondContact O-N 2.91Å; L415-F419 VanDerWaalsContact O-N 3.16Å; A416-F419 PolarHBondContact O-N 3.48Å; R417-F419 VanDerWaalsContact C-N 3.34Å; R417-F419 PolarHBondContact O-N 3.33Å; F419-R422 PolarHBondContact O-N 3.36Å; F419-F423 HydrophobicContact CD1-CE2 4.18Å; F419-F423 VanDerWaalsContact O-CD2 3.3Å; F419-F423 WeakPolarHBondContact O-CD2 3.3Å; F419-F423 PolarHBondContact O-N 3.28Å; F419-S458 VanDerWaalsContact CE2-CB 3.49Å; F419-V462 HydrophobicContact CD1-CG2 3.74Å; F419-V462 HydrophobicContact CE1-CB 4.29Å; F419-V462 HydrophobicContact CE1-CG2 3.57Å; F419-V462 HydrophobicContact CZ-CG2 4.38Å
420	A	91.5	Very high	89	Confident	3 Å²	3	55.8 Å²	55.8	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-43.2	176.3	0	0	0	0	0	113.1	A416 R417 F423 N424 Y425 I427	A416-A420 VanDerWaalsContact O-CB 3.3Å; A416-A420 WeakPolarHBondContact O-CB 3.48Å; A416-A420 PolarHBondContact O-N 2.86Å; R417-A420 PolarHBondContact O-N 3.06Å; A420-F423 CarbonylContact O-C 3.59Å; A420-F423 PolarHBondContact O-N 3.34Å; A420-N424 WeakPolarHBondContact O-CA 3.18Å; A420-N424 PolarHBondContact O-N 3.18Å; A420-Y425 CarbonylContact C-O 3.49Å; A420-Y425 VanDerWaalsContact CA-CZ 3.45Å; A420-Y425 HydrophobicContact CB-CD1 4.33Å; A420-Y425 HydrophobicContact CB-CD2 3.87Å; A420-Y425 HydrophobicContact CB-CE1 4.05Å; A420-Y425 HydrophobicContact CB-CE2 3.56Å; A420-Y425 HydrophobicContact CB-CG 4.23Å; A420-Y425 WeakPolarHBondContact CB-O 3.12Å; A420-Y425 PolarHBondContact O-N 2.88Å; A420-I427 HydrophobicContact CB-CD1 3.34Å; A420-I427 HydrophobicContact CB-CG1 3.64Å
421	T	90.5	Very high	89.3	Confident	108 Å²	108	55.8 Å²	55.8	66%	0.663	27%	0.269	S	S	*	.	H	α-helix	trans	-64.5	-42.7	172.8	-58.9	0	0	0	0	111.1	R417 F423 N424	R417-T421 PolarHBondContact O-N 3.27Å; R417-T421 PolarHBondContact O-OG1 2.97Å; R417-T421 VanDerWaalsContact O-OG1 3.12Å; T421-F423 VanDerWaalsContact C-N 3.32Å; T421-F423 PolarHBondContact O-N 2.86Å; T421-N424 PolarHBondContact O-N 3.12Å; T421-N424 PolarHBondContact O-OD1 2.91Å
422	R	89.8	Confident	89.6	Confident	182 Å²	182	54.6 Å²	54.6	69%	0.687	26%	0.262	S	S	*	.	H	α-helix	trans	-62.7	-35.7	177.9	-75.7	-174.9	-176	-162.7	3.3	113.7	I418 F419	I418-R422 WeakPolarHBondContact O-CG 3.42Å; I418-R422 PolarHBondContact O-N 2.95Å; I418-R422 VanDerWaalsContact O-N 3.08Å; F419-R422 PolarHBondContact O-N 3.36Å
423	F	89.7	Confident	89.7	Confident	74 Å²	74	54.6 Å²	54.6	33%	0.325	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	17.7	-177.7	-67.5	-70.5	0	0	0	113.6	H179 F419 A420 T421 Y425 V462	H179-F423 AromaticContact CD2-CD2 3.79Å; H179-F423 AromaticContact CD2-CE2 3.7Å; H179-F423 AromaticContact CE1-CD2 3.5Å; H179-F423 AromaticContact CE1-CG 3.67Å; H179-F423 AromaticContact CG-CD2 3.97Å; H179-F423 AromaticContact ND1-CD2 3.78Å; H179-F423 AromaticContact NE2-CD2 3.5Å; H179-F423 AromaticContact NE2-CE2 3.74Å; H179-F423 AromaticContact NE2-CG 3.74Å; F419-F423 HydrophobicContact CD1-CE2 4.18Å; F419-F423 VanDerWaalsContact O-CD2 3.3Å; F419-F423 WeakPolarHBondContact O-CD2 3.3Å; F419-F423 PolarHBondContact O-N 3.28Å; A420-F423 CarbonylContact O-C 3.59Å; A420-F423 PolarHBondContact O-N 3.34Å; T421-F423 VanDerWaalsContact C-N 3.32Å; T421-F423 PolarHBondContact O-N 2.86Å; F423-Y425 HydrophobicContact CB-CD1 3.84Å; F423-Y425 HydrophobicContact CB-CE1 3.87Å; F423-Y425 PolarHBondContact O-N 3.45Å; F423-V462 HydrophobicContact CE2-CG1 3.82Å; F423-V462 HydrophobicContact CE2-CG2 3.86Å; F423-V462 HydrophobicContact CZ-CG1 3.52Å; F423-V462 HydrophobicContact CZ-CG2 4.33Å
424	N	89.7	Confident	89.9	Confident	154 Å²	154	55.8 Å²	55.8	82%	0.824	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	46.1	174.3	-66.1	-36.4	0	0	0	115	A420 T421	A420-N424 WeakPolarHBondContact O-CA 3.18Å; A420-N424 PolarHBondContact O-N 3.18Å; T421-N424 PolarHBondContact O-N 3.12Å; T421-N424 PolarHBondContact O-OD1 2.91Å
425	Y	89.3	Confident	90.4	Very high	29 Å²	29	54 Å²	54	11%	0.114	26%	0.256	C	S	.	.			trans	-123.5	162.4	169	69.2	-88.1	0	0	0	111.3	S177 R178 H179 A420 F423 I427	S177-Y425 PolarHBondContact OG-OH 2.78Å; S177-Y425 VanDerWaalsContact OG-OH 3.11Å; R178-Y425 HydrophobicContact CB-CE1 4.45Å; R178-Y425 HydrophobicContact CG-CE2 4.48Å; R178-Y425 PolarHBondContact N-OH 3.09Å; H179-Y425 AromaticContact CE1-CE1 3.66Å; H179-Y425 AromaticContact ND1-CE1 3.4Å; H179-Y425 WeakPolarHBondContact ND1-CE1 3.29Å; H179-Y425 AromaticContact ND1-CZ 3.76Å; H179-Y425 PolarHBondContact ND1-OH 2.98Å; A420-Y425 CarbonylContact C-O 3.49Å; A420-Y425 VanDerWaalsContact CA-CZ 3.45Å; A420-Y425 HydrophobicContact CB-CD1 4.33Å; A420-Y425 HydrophobicContact CB-CD2 3.87Å; A420-Y425 HydrophobicContact CB-CE1 4.05Å; A420-Y425 HydrophobicContact CB-CE2 3.56Å; A420-Y425 HydrophobicContact CB-CG 4.23Å; A420-Y425 WeakPolarHBondContact CB-O 3.12Å; A420-Y425 PolarHBondContact O-N 2.88Å; F423-Y425 HydrophobicContact CB-CD1 3.84Å; F423-Y425 HydrophobicContact CB-CE1 3.87Å; F423-Y425 PolarHBondContact O-N 3.45Å; Y425-I427 HydrophobicContact CD2-CG1 4.36Å; Y425-I427 HydrophobicContact CE2-CD1 4.19Å; Y425-I427 HydrophobicContact CE2-CG1 3.86Å
426	K	87.1	Confident	90.8	Very high	205 Å²	205	53.3 Å²	53.3	89%	0.891	25%	0.253	S	S	*	.			trans	-98.9	143.2	-179.8	-67.3	-176.9	180	178.3	0	110.6
427	I	88.4	Confident	91	Very high	32 Å²	32	53.3 Å²	53.3	16%	0.164	25%	0.253	C	S	.	.			trans	-109.2	136.7	172.6	-76.3	171.7	0	0	0	109.8	A416 A420 Y425 E432	A416-I427 HydrophobicContact CB-CD1 3.36Å; A416-I427 WeakPolarHBondContact O-CD1 3.36Å; A420-I427 HydrophobicContact CB-CD1 3.34Å; A420-I427 HydrophobicContact CB-CG1 3.64Å; Y425-I427 HydrophobicContact CD2-CG1 4.36Å; Y425-I427 HydrophobicContact CE2-CD1 4.19Å; Y425-I427 HydrophobicContact CE2-CG1 3.86Å; I427-E432 HydrophobicContact CG2-CG 3.81Å
428	N	88	Confident	91.4	Very high	73 Å²	73	51.1 Å²	51.1	39%	0.39	25%	0.249	S	C	.	.			trans	-97.1	103	170.6	-179.2	-4.5	0	0	0	109.8	T176 N430 Q431 E432	T176-N428 HydrophobicContact CG2-CB 4.32Å; N428-N430 VanDerWaalsContact C-N 3.29Å; N428-N430 PolarHBondContact O-N 2.7Å; N428-N430 PolarHBondContact OD1-N 3.27Å; N428-N430 VanDerWaalsContact OD1-N 3.16Å; N428-Q431 HydrophobicContact CB-CB 3.94Å; N428-Q431 PolarHBondContact O-N 3.04Å; N428-Q431 VanDerWaalsContact O-N 3.11Å; N428-Q431 PolarHBondContact OD1-N 3.49Å; N428-E432 PolarHBondContact O-N 2.82Å
429	T	90.3	Very high	91.9	Very high	15 Å²	15	47.1 Å²	47.1	9%	0.092	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-33.1	-177.8	-58.7	0	0	0	0	113.9	I259 V413 R417 E432 L433	I259-T429 HydrophobicContact CD1-CG2 3.65Å; V413-T429 HydrophobicContact CG1-CG2 3.85Å; V413-T429 HydrophobicContact CG2-CG2 4.17Å; R417-T429 PolarHBondContact NH2-OG1 2.94Å; T429-E432 PolarHBondContact O-N 3.2Å; T429-L433 PolarHBondContact O-N 3.25Å; T429-L433 VanDerWaalsContact O-N 3.07Å
430	N	91.1	Very high	92.3	Very high	32 Å²	32	47 Å²	47	17%	0.171	23%	0.228	C	C	.	.	H	α-helix	trans	-72.8	-34.1	177.5	-66.5	-40.9	0	0	0	111.8	R254 G256 N428 L433 I434	R254-N430 VanDerWaalsContact C-OD1 3.24Å; R254-N430 VanDerWaalsContact CA-OD1 3.28Å; R254-N430 WeakPolarHBondContact CA-OD1 3.28Å; R254-N430 PolarHBondContact O-OD1 2.64Å; G256-N430 WeakPolarHBondContact CA-OD1 3.34Å; G256-N430 PolarHBondContact N-OD1 3.39Å; N428-N430 VanDerWaalsContact C-N 3.29Å; N428-N430 PolarHBondContact O-N 2.7Å; N428-N430 PolarHBondContact OD1-N 3.27Å; N428-N430 VanDerWaalsContact OD1-N 3.16Å; N430-L433 WeakPolarHBondContact O-CB 3.38Å; N430-L433 PolarHBondContact O-N 3.43Å; N430-I434 WeakPolarHBondContact O-CG1 3.3Å; N430-I434 PolarHBondContact O-N 3.47Å
431	Q	91.8	Very high	92.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-69	-37.4	173	-179.6	60.9	21.1	0	0	110.9	Y112 P114 L174 T176 N428 L433 I434 A435	Y112-Q431 PolarHBondContact O-NE2 2.92Å; P114-Q431 HydrophobicContact CG-CG 4.23Å; L174-Q431 PolarHBondContact O-NE2 3.44Å; T176-Q431 HydrophobicContact CG2-CB 3.79Å; T176-Q431 HydrophobicContact CG2-CG 3.42Å; T176-Q431 VanDerWaalsContact CG2-CG 3.42Å; N428-Q431 HydrophobicContact CB-CB 3.94Å; N428-Q431 PolarHBondContact O-N 3.04Å; N428-Q431 VanDerWaalsContact O-N 3.11Å; N428-Q431 PolarHBondContact OD1-N 3.49Å; Q431-L433 VanDerWaalsContact C-N 3.32Å; Q431-L433 PolarHBondContact O-N 3.01Å; Q431-I434 PolarHBondContact O-N 3.38Å; Q431-A435 VanDerWaalsContact O-CB 3.3Å; Q431-A435 WeakPolarHBondContact O-CB 3.41Å; Q431-A435 PolarHBondContact O-N 2.86Å
432	E	92.9	Very high	92.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-42.9	172.2	-68.4	-61	127.8	0	0	111.5	Y171 T176 S177 I409 V413 I427 N428 T429 I434 A435 F436	Y171-E432 WeakPolarHBondContact CE2-OE2 3.27Å; Y171-E432 VanDerWaalsContact OH-CD 3.29Å; Y171-E432 PolarHBondContact OH-OE1 3.15Å; Y171-E432 PolarHBondContact OH-OE2 3.16Å; T176-E432 WeakPolarHBondContact CA-OE1 2.99Å; T176-E432 VanDerWaalsContact CB-OE1 3.3Å; T176-E432 WeakPolarHBondContact CB-OE1 3.47Å; T176-E432 PolarHBondContact N-OE1 3.42Å; T176-E432 PolarHBondContact OG1-OE1 3.29Å; S177-E432 PolarHBondContact N-OE1 2.85Å; I409-E432 HydrophobicContact CD1-CB 4.33Å; V413-E432 HydrophobicContact CG2-CB 3.83Å; V413-E432 HydrophobicContact CG2-CG 4.33Å; I427-E432 HydrophobicContact CG2-CG 3.81Å; N428-E432 PolarHBondContact O-N 2.82Å; T429-E432 PolarHBondContact O-N 3.2Å; E432-I434 VanDerWaalsContact C-N 3.35Å; E432-I434 PolarHBondContact O-N 2.61Å; E432-A435 PolarHBondContact O-N 2.84Å; E432-F436 WeakPolarHBondContact O-CB 3.3Å; E432-F436 VanDerWaalsContact O-CD2 3.3Å; E432-F436 WeakPolarHBondContact O-CD2 3.43Å; E432-F436 PolarHBondContact O-N 2.65Å
433	L	94	Very high	93.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.2	-46.2	174.9	-83.2	162.3	0	0	0	112.5	Q247 M250 G251 I409 T429 N430 Q431 G437	Q247-L433 CarbonylContact C-O 3.32Å; M250-L433 HydrophobicContact CB-CD1 4.36Å; M250-L433 HydrophobicContact CB-CD2 3.77Å; M250-L433 HydrophobicContact CE-CD2 4.16Å; M250-L433 HydrophobicContact SD-CD2 4.43Å; G251-L433 VanDerWaalsContact CA-CB 3.42Å; I409-L433 HydrophobicContact CB-CD2 4.16Å; I409-L433 HydrophobicContact CD1-CD2 4.23Å; I409-L433 HydrophobicContact CD1-CG 4.34Å; I409-L433 HydrophobicContact CG1-CD2 3.58Å; I409-L433 HydrophobicContact CG1-CG 3.97Å; I409-L433 HydrophobicContact CG2-CD2 3.98Å; T429-L433 PolarHBondContact O-N 3.25Å; T429-L433 VanDerWaalsContact O-N 3.07Å; N430-L433 WeakPolarHBondContact O-CB 3.38Å; N430-L433 PolarHBondContact O-N 3.43Å; Q431-L433 VanDerWaalsContact C-N 3.32Å; Q431-L433 PolarHBondContact O-N 3.01Å; L433-G437 PolarHBondContact O-N 2.77Å
434	I	94.3	Very high	93.4	Very high	26 Å²	26	35 Å²	35	13%	0.133	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-45.5	176.1	-64.7	172.3	0	0	0	110.5	Y112 F248 N430 Q431 E432 G437 V438	Y112-I434 HydrophobicContact CE1-CD1 4.15Å; F248-I434 HydrophobicContact CD2-CG2 4.12Å; F248-I434 HydrophobicContact CE2-CG2 4.09Å; N430-I434 WeakPolarHBondContact O-CG1 3.3Å; N430-I434 PolarHBondContact O-N 3.47Å; Q431-I434 PolarHBondContact O-N 3.38Å; E432-I434 VanDerWaalsContact C-N 3.35Å; E432-I434 PolarHBondContact O-N 2.61Å; I434-G437 PolarHBondContact O-N 3.19Å; I434-V438 HydrophobicContact CG2-CG2 4.3Å; I434-V438 WeakPolarHBondContact O-CG2 3.3Å; I434-V438 PolarHBondContact O-N 2.55Å
435	A	95.4	Very high	93.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-50.8	-178.9	0	0	0	0	0	111.4	Y171 L174 Q431 E432 G437 T439	Y171-A435 HydrophobicContact CD2-CB 4.14Å; Y171-A435 HydrophobicContact CE2-CB 4.09Å; L174-A435 HydrophobicContact CB-CB 3.64Å; L174-A435 WeakPolarHBondContact O-CB 3.4Å; Q431-A435 VanDerWaalsContact O-CB 3.3Å; Q431-A435 WeakPolarHBondContact O-CB 3.41Å; Q431-A435 PolarHBondContact O-N 2.86Å; E432-A435 PolarHBondContact O-N 2.84Å; A435-G437 VanDerWaalsContact C-N 3.34Å; A435-T439 WeakPolarHBondContact O-CB 3.47Å; A435-T439 PolarHBondContact O-N 3.33Å; A435-T439 PolarHBondContact O-OG1 2.87Å
436	F	96	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-40.2	175.5	-87.8	-88.2	0	0	0	112.1	Y171 I180 I182 Q247 I409 S412 E432 T439 N440 A453	Y171-F436 HydrophobicContact CD2-CE2 4.43Å; Y171-F436 HydrophobicContact CE2-CD2 4.18Å; Y171-F436 AromaticContact CE2-CE2 3.77Å; Y171-F436 HydrophobicContact CE2-CE2 3.77Å; Y171-F436 HydrophobicContact CE2-CZ 4.37Å; I180-F436 HydrophobicContact CD1-CE2 4.3Å; I180-F436 HydrophobicContact CD1-CZ 4.23Å; I182-F436 HydrophobicContact CD1-CD1 4.27Å; I182-F436 HydrophobicContact CD1-CE1 3.47Å; I182-F436 VanDerWaalsContact CD1-CE1 3.47Å; I182-F436 HydrophobicContact CD1-CE2 3.82Å; I182-F436 HydrophobicContact CD1-CZ 3.18Å; I182-F436 HydrophobicContact CG1-CE1 4.31Å; I182-F436 HydrophobicContact CG1-CZ 4.01Å; I182-F436 HydrophobicContact CG2-CE1 4.5Å; Q247-F436 PolarHBondContact OE1-O 2.99Å; I409-F436 HydrophobicContact CD1-CB 3.81Å; I409-F436 HydrophobicContact CD1-CD2 3.49Å; I409-F436 VanDerWaalsContact CD1-CD2 3.49Å; I409-F436 HydrophobicContact CD1-CE2 4.26Å; I409-F436 HydrophobicContact CD1-CG 3.71Å; S412-F436 VanDerWaalsContact OG-CE1 3.3Å; S412-F436 WeakPolarHBondContact OG-CE1 3.45Å; S412-F436 VanDerWaalsContact OG-CZ 3.29Å; S412-F436 WeakPolarHBondContact OG-CZ 3.24Å; E432-F436 WeakPolarHBondContact O-CB 3.3Å; E432-F436 VanDerWaalsContact O-CD2 3.3Å; E432-F436 WeakPolarHBondContact O-CD2 3.43Å; E432-F436 PolarHBondContact O-N 2.65Å; F436-T439 PolarHBondContact O-N 3.46Å; F436-N440 WeakPolarHBondContact O-CB 3.27Å; F436-N440 PolarHBondContact O-N 3.41Å; F436-N440 PolarHBondContact O-ND2 3.45Å; F436-A453 HydrophobicContact CZ-CB 4.44Å
437	G	97	Very high	94.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-52.5	177.7	0	0	0	0	0	112.8	G244 L433 I434 A435 T439 A441	G244-G437 CarbonylContact C-O 3.56Å; G244-G437 WeakPolarHBondContact CA-O 3.31Å; G244-G437 CarbonylContact O-C 3.39Å; G244-G437 WeakPolarHBondContact O-CA 3.4Å; L433-G437 PolarHBondContact O-N 2.77Å; I434-G437 PolarHBondContact O-N 3.19Å; A435-G437 VanDerWaalsContact C-N 3.34Å; G437-T439 VanDerWaalsContact C-N 3.34Å; G437-T439 PolarHBondContact O-N 2.8Å; G437-A441 WeakPolarHBondContact O-CB 3.41Å; G437-A441 PolarHBondContact O-N 3.12Å
438	V	96.8	Very high	94.6	Very high	45 Å²	45	20.1 Å²	20.1	27%	0.273	10%	0.102	S	C	.	.	H	α-helix	trans	-63.3	-41.4	175.4	175.3	0	0	0	0	110.9	I170 L174 F248 I434 F442	I170-V438 HydrophobicContact CG2-CG1 4.33Å; L174-V438 HydrophobicContact CD1-CG1 4.17Å; L174-V438 HydrophobicContact CD2-CB 3.97Å; L174-V438 HydrophobicContact CD2-CG1 4Å; L174-V438 HydrophobicContact CD2-CG2 4.07Å; F248-V438 HydrophobicContact CD2-CG2 3.91Å; F248-V438 HydrophobicContact CE2-CG2 4.16Å; I434-V438 HydrophobicContact CG2-CG2 4.3Å; I434-V438 WeakPolarHBondContact O-CG2 3.3Å; I434-V438 PolarHBondContact O-N 2.55Å; V438-F442 WeakPolarHBondContact O-CB 3.3Å; V438-F442 PolarHBondContact O-N 3.19Å
439	T	96.9	Very high	95	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.8	-51.5	179.8	-64	0	0	0	0	111.4	P167 I170 A435 F436 G437 S443	P167-T439 VanDerWaalsContact CA-CG2 3.41Å; P167-T439 HydrophobicContact CB-CG2 3.69Å; P167-T439 VanDerWaalsContact O-CG2 3.24Å; P167-T439 WeakPolarHBondContact O-CG2 3.32Å; I170-T439 HydrophobicContact CB-CG2 4.33Å; A435-T439 WeakPolarHBondContact O-CB 3.47Å; A435-T439 PolarHBondContact O-N 3.33Å; A435-T439 PolarHBondContact O-OG1 2.87Å; F436-T439 PolarHBondContact O-N 3.46Å; G437-T439 VanDerWaalsContact C-N 3.34Å; G437-T439 PolarHBondContact O-N 2.8Å; T439-S443 WeakPolarHBondContact O-CB 3.28Å; T439-S443 PolarHBondContact O-N 3.13Å; T439-S443 PolarHBondContact O-OG 3.07Å
440	N	97.4	Very high	95.4	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-69.5	-42.6	-179.7	-78.8	-37.5	0	0	0	111.9	Q247 F436 S444 A451	Q247-N440 PolarHBondContact OE1-ND2 3.08Å; F436-N440 WeakPolarHBondContact O-CB 3.27Å; F436-N440 PolarHBondContact O-N 3.41Å; F436-N440 PolarHBondContact O-ND2 3.45Å; N440-S444 WeakPolarHBondContact O-CB 3.32Å; N440-S444 PolarHBondContact O-N 3.28Å; N440-S444 VanDerWaalsContact O-N 3.13Å; N440-A451 PolarHBondContact ND2-O 2.96Å; N440-A451 PolarHBondContact OD1-N 3.41Å; N440-A451 PolarHBondContact OD1-O 3.34Å
441	A	96.9	Very high	95.6	Very high	17 Å²	17	14.6 Å²	14.6	14%	0.14	7%	0.073	C	C	.	.	H	α-helix	trans	-62	-51.6	177.8	0	0	0	0	0	111.3	F241 G437 S444 F445	F241-A441 HydrophobicContact CD2-CB 4.14Å; F241-A441 HydrophobicContact CE2-CB 4.27Å; G437-A441 WeakPolarHBondContact O-CB 3.41Å; G437-A441 PolarHBondContact O-N 3.12Å; A441-S444 PolarHBondContact O-N 3.11Å; A441-S444 PolarHBondContact O-OG 3.33Å; A441-F445 VanDerWaalsContact O-CD2 3.23Å; A441-F445 WeakPolarHBondContact O-CD2 3.21Å; A441-F445 WeakPolarHBondContact O-CE2 3.46Å
442	F	96.4	Very high	95.8	Very high	99 Å²	99	14.4 Å²	14.4	43%	0.434	7%	0.072	S	C	.	.	H	α-helix	trans	-69.5	-40.2	-177.9	-167	-98.8	0	0	0	112.4	I170 V438 S444 F445 F446	I170-F442 HydrophobicContact CD1-CD1 3.52Å; I170-F442 HydrophobicContact CD1-CE1 3.76Å; I170-F442 HydrophobicContact CG1-CD1 3.83Å; V438-F442 WeakPolarHBondContact O-CB 3.3Å; V438-F442 PolarHBondContact O-N 3.19Å; F442-S444 PolarHBondContact O-N 3.41Å; F442-F445 PolarHBondContact O-N 2.84Å; F442-F446 HydrophobicContact CD1-CD2 4.41Å; F442-F446 AromaticContact CD1-CE2 3.9Å; F442-F446 HydrophobicContact CD1-CE2 3.9Å; F442-F446 HydrophobicContact CE1-CD2 4.28Å; F442-F446 AromaticContact CE1-CE2 3.4Å; F442-F446 HydrophobicContact CE1-CE2 3.4Å; F442-F446 HydrophobicContact CE1-CZ 4.08Å; F442-F446 HydrophobicContact CE2-CE2 4.5Å; F442-F446 AromaticContact CZ-CE2 3.74Å; F442-F446 HydrophobicContact CZ-CE2 3.74Å; F442-F446 HydrophobicContact CZ-CZ 4.18Å; F442-F446 WeakPolarHBondContact O-CD2 3.34Å
443	S	96.3	Very high	95.8	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.007	7%	0.072	C	C	.	.	H	α-helix	trans	-65.9	-28.2	179.7	-55.8	0	0	0	0	112.5	P167 T439 F445 F446 A448	P167-S443 WeakPolarHBondContact CA-OG 3.36Å; T439-S443 WeakPolarHBondContact O-CB 3.28Å; T439-S443 PolarHBondContact O-N 3.13Å; T439-S443 PolarHBondContact O-OG 3.07Å; S443-F445 PolarHBondContact O-N 3.42Å; S443-F446 CarbonylContact O-C 3.56Å; S443-F446 WeakPolarHBondContact O-CA 3.3Å; S443-F446 PolarHBondContact O-N 3.02Å; S443-A448 VanDerWaalsContact O-CB 3.26Å; S443-A448 WeakPolarHBondContact O-CB 3.39Å; S443-A448 PolarHBondContact O-N 2.92Å
444	S	96.3	Very high	95.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.7	-26.9	178.4	69.5	0	0	0	0	114	F241 P389 N440 A441 F442 F446 H447 A448	F241-S444 WeakPolarHBondContact CA-OG 3.28Å; F241-S444 WeakPolarHBondContact CB-OG 3.44Å; F241-S444 WeakPolarHBondContact CD2-OG 3.28Å; P389-S444 WeakPolarHBondContact CG-OG 3.3Å; N440-S444 WeakPolarHBondContact O-CB 3.32Å; N440-S444 PolarHBondContact O-N 3.28Å; N440-S444 VanDerWaalsContact O-N 3.13Å; A441-S444 PolarHBondContact O-N 3.11Å; A441-S444 PolarHBondContact O-OG 3.33Å; F442-S444 PolarHBondContact O-N 3.41Å; S444-F446 PolarHBondContact O-N 3.12Å; S444-H447 PolarHBondContact O-N 3.23Å; S444-A448 WeakPolarHBondContact CA-O 3.43Å
445	F	95.9	Very high	95.3	Very high	55 Å²	55	17.1 Å²	17.1	24%	0.241	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25	171.2	-69	-96.8	0	0	0	112.4	F241 P386 E387 V388 A441 F442 S443	F241-F445 AromaticContact CD2-CE2 3.87Å; F241-F445 HydrophobicContact CD2-CE2 3.87Å; F241-F445 HydrophobicContact CD2-CZ 4.33Å; F241-F445 AromaticContact CE2-CE2 3.54Å; F241-F445 HydrophobicContact CE2-CE2 3.54Å; F241-F445 AromaticContact CE2-CZ 3.74Å; F241-F445 HydrophobicContact CE2-CZ 3.74Å; F241-F445 HydrophobicContact CZ-CZ 4.33Å; P386-F445 CarbonylContact C-O 3.28Å; P386-F445 WeakPolarHBondContact CA-O 3.45Å; E387-F445 PolarHBondContact N-O 3.46Å; E387-F445 VanDerWaalsContact O-CA 3.3Å; E387-F445 WeakPolarHBondContact O-CA 3.46Å; V388-F445 HydrophobicContact CB-CE1 4.38Å; V388-F445 HydrophobicContact CG1-CE1 4.18Å; V388-F445 HydrophobicContact CG2-CD1 4.38Å; V388-F445 HydrophobicContact CG2-CE1 4.14Å; A441-F445 VanDerWaalsContact O-CD2 3.23Å; A441-F445 WeakPolarHBondContact O-CD2 3.21Å; A441-F445 WeakPolarHBondContact O-CE2 3.46Å; F442-F445 PolarHBondContact O-N 2.84Å; S443-F445 PolarHBondContact O-N 3.42Å
446	F	94.9	Very high	94.8	Very high	43 Å²	43	18.7 Å²	18.7	19%	0.189	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	36.8	179.6	-58	-93	0	0	0	111.7	F166 P386 F442 S443 S444 A448	F166-F446 HydrophobicContact CD1-CB 3.77Å; F166-F446 HydrophobicContact CD1-CD1 4.19Å; F166-F446 HydrophobicContact CD1-CD2 4.02Å; F166-F446 AromaticContact CD1-CG 3.74Å; F166-F446 HydrophobicContact CD1-CG 3.74Å; F166-F446 HydrophobicContact CD2-CB 3.49Å; F166-F446 VanDerWaalsContact CD2-CB 3.49Å; F166-F446 HydrophobicContact CD2-CG 4.36Å; F166-F446 HydrophobicContact CE1-CB 3.6Å; F166-F446 AromaticContact CE1-CD1 3.41Å; F166-F446 HydrophobicContact CE1-CD1 3.41Å; F166-F446 VanDerWaalsContact CE1-CD1 3.41Å; F166-F446 HydrophobicContact CE1-CD2 4.07Å; F166-F446 HydrophobicContact CE1-CE1 4.04Å; F166-F446 AromaticContact CE1-CG 3.42Å; F166-F446 HydrophobicContact CE1-CG 3.42Å; F166-F446 VanDerWaalsContact CE1-CG 3.42Å; F166-F446 HydrophobicContact CE2-CB 3.33Å; F166-F446 HydrophobicContact CE2-CD1 4.37Å; F166-F446 HydrophobicContact CE2-CG 4.11Å; F166-F446 HydrophobicContact CG-CB 3.73Å; F166-F446 HydrophobicContact CG-CG 4.2Å; F166-F446 HydrophobicContact CZ-CB 3.38Å; F166-F446 AromaticContact CZ-CD1 3.54Å; F166-F446 HydrophobicContact CZ-CD1 3.54Å; F166-F446 HydrophobicContact CZ-CE1 4.48Å; F166-F446 AromaticContact CZ-CG 3.64Å; F166-F446 HydrophobicContact CZ-CG 3.64Å; P386-F446 HydrophobicContact CB-CD1 4.49Å; P386-F446 HydrophobicContact CB-CE1 4.31Å; P386-F446 HydrophobicContact CG-CD1 4.07Å; P386-F446 HydrophobicContact CG-CE1 3.65Å; P386-F446 HydrophobicContact CG-CZ 4.22Å; F442-F446 HydrophobicContact CD1-CD2 4.41Å; F442-F446 AromaticContact CD1-CE2 3.9Å; F442-F446 HydrophobicContact CD1-CE2 3.9Å; F442-F446 HydrophobicContact CE1-CD2 4.28Å; F442-F446 AromaticContact CE1-CE2 3.4Å; F442-F446 HydrophobicContact CE1-CE2 3.4Å; F442-F446 HydrophobicContact CE1-CZ 4.08Å; F442-F446 HydrophobicContact CE2-CE2 4.5Å; F442-F446 AromaticContact CZ-CE2 3.74Å; F442-F446 HydrophobicContact CZ-CE2 3.74Å; F442-F446 HydrophobicContact CZ-CZ 4.18Å; F442-F446 WeakPolarHBondContact O-CD2 3.34Å; S443-F446 CarbonylContact O-C 3.56Å; S443-F446 WeakPolarHBondContact O-CA 3.3Å; S443-F446 PolarHBondContact O-N 3.02Å; S444-F446 PolarHBondContact O-N 3.12Å; F446-A448 PolarHBondContact O-N 3.38Å
447	H	93.3	Very high	94.5	Very high	7 Å²	7	18.7 Å²	18.7	3%	0.032	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	23.5	173.9	-60.5	81.5	0	0	0	114.5	Y159 Y162 L237 Q384 Y385 E387 S444	Y159-H447 HydrophobicContact CD1-CB 4.11Å; Y159-H447 VanDerWaalsContact CD1-O 3.28Å; Y159-H447 WeakPolarHBondContact CD1-O 2.96Å; Y159-H447 HydrophobicContact CE1-CB 3.84Å; Y159-H447 AromaticContact CE1-CD2 3.97Å; Y162-H447 HydrophobicContact CD2-CB 3.78Å; Y162-H447 HydrophobicContact CE2-CB 4.2Å; L237-H447 VanDerWaalsContact CD2-C 3.49Å; L237-H447 VanDerWaalsContact CD2-CA 3.48Å; L237-H447 HydrophobicContact CD2-CB 4.42Å; Q384-H447 PolarHBondContact OE1-CD2 3.07Å; Q384-H447 VanDerWaalsContact OE1-CD2 3.27Å; Y385-H447 PolarHBondContact O-CE1 3.43Å; E387-H447 IonicContact OE2-NE2 3.81Å; S444-H447 PolarHBondContact O-N 3.23Å
448	A	95.5	Very high	94.3	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-89	132.2	171.7	0	0	0	0	0	111.2	T163 P167 S443 S444 F446	T163-A448 WeakPolarHBondContact OG1-CA 3.3Å; P167-A448 HydrophobicContact CG-CB 4.31Å; S443-A448 VanDerWaalsContact O-CB 3.26Å; S443-A448 WeakPolarHBondContact O-CB 3.39Å; S443-A448 PolarHBondContact O-N 2.92Å; S444-A448 WeakPolarHBondContact CA-O 3.43Å; F446-A448 PolarHBondContact O-N 3.38Å
449	Y	96.7	Very high	93.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.008	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-82.1	172.3	167.9	70.3	-94.7	0	0	0	109.6	A150 A153 L155 T163 T184 S189 T192 A451	A150-Y449 HydrophobicContact CB-CE1 4.35Å; A153-Y449 HydrophobicContact CB-CE2 4.1Å; L155-Y449 HydrophobicContact CD1-CD1 3.59Å; L155-Y449 HydrophobicContact CD1-CE1 4.29Å; L155-Y449 HydrophobicContact CD1-CG 3.89Å; T163-Y449 HydrophobicContact CG2-CD1 4.13Å; T163-Y449 HydrophobicContact CG2-CD2 4.25Å; T163-Y449 HydrophobicContact CG2-CE1 3.99Å; T163-Y449 HydrophobicContact CG2-CE2 4.12Å; T163-Y449 HydrophobicContact CG2-CG 4.26Å; T163-Y449 WeakPolarHBondContact CG2-O 3.23Å; T163-Y449 WeakPolarHBondContact OG1-CD1 3.46Å; T163-Y449 VanDerWaalsContact OG1-CE1 3.28Å; T163-Y449 WeakPolarHBondContact OG1-CE1 3.46Å; T163-Y449 PolarHBondContact OG1-N 3.44Å; T163-Y449 VanDerWaalsContact OG1-N 3.08Å; T184-Y449 HydrophobicContact CG2-CE1 4.36Å; T184-Y449 VanDerWaalsContact CG2-OH 3.26Å; T184-Y449 WeakPolarHBondContact CG2-OH 3.35Å; S189-Y449 PolarHBondContact OG-OH 3.35Å; S189-Y449 VanDerWaalsContact OG-OH 3.07Å; T192-Y449 HydrophobicContact CG2-CD2 4.22Å; Y449-A451 PolarHBondContact O-N 2.97Å
450	P	97	Very high	93.3	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.013	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-51	130.6	-176.7	-22.1	26.3	0	0	0	113.2	V188 L239 V243	V188-P450 HydrophobicContact CG1-CB 3.6Å; V188-P450 WeakPolarHBondContact CG1-O 3.42Å; L239-P450 HydrophobicContact CD2-CG 3.95Å; L239-P450 HydrophobicContact CG-CG 3.86Å; V243-P450 HydrophobicContact CG1-CB 4.42Å; V243-P450 HydrophobicContact CG2-CG 4.31Å
451	A	96.1	Very high	93	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.008	11%	0.111	C	C	.	.			trans	-111.4	154.6	-179.4	0	0	0	0	0	112.1	T163 P167 I182 G183 N440 Y449	T163-A451 HydrophobicContact CG2-CB 3.93Å; P167-A451 HydrophobicContact CB-CB 3.56Å; P167-A451 HydrophobicContact CG-CB 3.53Å; I182-A451 HydrophobicContact CG2-CB 4.15Å; G183-A451 WeakPolarHBondContact O-CA 3.33Å; G183-A451 WeakPolarHBondContact O-CB 3.36Å; N440-A451 PolarHBondContact ND2-O 2.96Å; N440-A451 PolarHBondContact OD1-N 3.41Å; N440-A451 PolarHBondContact OD1-O 3.34Å; Y449-A451 PolarHBondContact O-N 2.97Å
452	A	95.4	Very high	92.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	168.9	175.1	0	0	0	0	0	111.9	G183 M185 V188	G183-A452 PolarHBondContact N-O 3.16Å; G183-A452 PolarHBondContact O-N 2.61Å; M185-A452 HydrophobicContact CB-CB 3.9Å; M185-A452 HydrophobicContact CE-CB 4Å; M185-A452 HydrophobicContact CG-CB 4.27Å; V188-A452 HydrophobicContact CB-CB 4.47Å; V188-A452 HydrophobicContact CG2-CB 3.73Å
453	A	94	Very high	92.1	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.8	173.8	0	0	0	0	0	111.5	I180 S181 M185 S412 L415 F436	I180-A453 HydrophobicContact CB-CB 4.04Å; I180-A453 HydrophobicContact CD1-CB 4.01Å; I180-A453 HydrophobicContact CG1-CB 4.37Å; S181-A453 WeakPolarHBondContact O-CA 3.49Å; M185-A453 WeakPolarHBondContact CG-O 2.86Å; S412-A453 PolarHBondContact OG-N 2.85Å; L415-A453 HydrophobicContact CD1-CB 4.08Å; L415-A453 WeakPolarHBondContact CD1-O 3.19Å; F436-A453 HydrophobicContact CZ-CB 4.44Å
454	S	91.1	Very high	91.6	Very high	5 Å²	5	19 Å²	19	4%	0.035	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.8	177.2	172.6	0	0	0	0	111.7	S181 S456 S458	S181-S454 PolarHBondContact O-N 3.33Å; S454-S456 PolarHBondContact OG-N 3.45Å; S454-S456 PolarHBondContact OG-OG 3.42Å; S454-S458 VanDerWaalsContact O-CB 3.28Å; S454-S458 WeakPolarHBondContact O-CB 3.22Å; S454-S458 PolarHBondContact O-N 3.49Å; S454-S458 PolarHBondContact O-OG 3.38Å
455	L	85.4	Confident	91.1	Very high	78 Å²	78	20 Å²	20	41%	0.408	12%	0.122	S	C	.	.	H	α-helix	trans	-62.6	-44.8	175	177.7	59.5	0	0	0	111.8	L415 R457 S458 A459	L415-L455 HydrophobicContact CD1-CB 4.38Å; L415-L455 HydrophobicContact CD2-CB 3.88Å; L415-L455 HydrophobicContact CD2-CD1 3.62Å; L415-L455 HydrophobicContact CD2-CG 4.23Å; L455-R457 PolarHBondContact O-N 3.16Å; L455-S458 PolarHBondContact O-N 3.1Å; L455-A459 VanDerWaalsContact O-CB 3.27Å; L455-A459 WeakPolarHBondContact O-CB 3.37Å; L455-A459 PolarHBondContact O-N 3.25Å
456	S	85.2	Confident	90.8	Very high	32 Å²	32	17.5 Å²	17.5	22%	0.224	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-47.3	-176.7	60.3	0	0	0	0	111.6	Q145 S454 V460	Q145-S456 PolarHBondContact OE1-OG 3.34Å; S454-S456 PolarHBondContact OG-N 3.45Å; S454-S456 PolarHBondContact OG-OG 3.42Å; S456-V460 WeakPolarHBondContact O-CG2 3.32Å; S456-V460 PolarHBondContact O-N 3.48Å; S456-V460 VanDerWaalsContact O-N 3.11Å
457	R	90.3	Very high	90.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.9	-42.7	179	-63.2	-172.2	-56.4	-128	-12.7	112	V138 H142 S181 T184 L455 A459 V460 Y461	V138-R457 HydrophobicContact CG1-CB 4.37Å; H142-R457 VanDerWaalsContact CE1-CZ 3.41Å; H142-R457 PolarHBondContact CE1-NE 3.35Å; H142-R457 PolarHBondContact CE1-NH1 3.24Å; H142-R457 VanDerWaalsContact CE1-NH1 3.32Å; H142-R457 PolarHBondContact ND1-NH1 2.96Å; S181-R457 PolarHBondContact O-NH2 3.33Å; S181-R457 VanDerWaalsContact O-NH2 3.16Å; S181-R457 VanDerWaalsContact OG-CB 3.31Å; S181-R457 WeakPolarHBondContact OG-CB 3.46Å; S181-R457 WeakPolarHBondContact OG-CD 3.41Å; S181-R457 PolarHBondContact OG-NE 3.31Å; T184-R457 PolarHBondContact O-NH1 2.85Å; T184-R457 PolarHBondContact O-NH2 2.63Å; T184-R457 PolarHBondContact OG1-NH1 3.29Å; L455-R457 PolarHBondContact O-N 3.16Å; R457-A459 VanDerWaalsContact C-N 3.32Å; R457-A459 PolarHBondContact O-N 2.94Å; R457-V460 PolarHBondContact O-N 3.45Å; R457-Y461 VanDerWaalsContact O-CB 3.28Å; R457-Y461 WeakPolarHBondContact O-CB 3.48Å; R457-Y461 PolarHBondContact O-N 3.33Å
458	S	92.2	Very high	90.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.4	-36.6	179.2	-51.9	0	0	0	0	111.9	H179 I180 S181 F419 S454 L455 Y461 V462	H179-S458 WeakPolarHBondContact O-CB 3.47Å; I180-S458 WeakPolarHBondContact CA-OG 3.32Å; S181-S458 PolarHBondContact N-OG 3.13Å; F419-S458 VanDerWaalsContact CE2-CB 3.49Å; S454-S458 VanDerWaalsContact O-CB 3.28Å; S454-S458 WeakPolarHBondContact O-CB 3.22Å; S454-S458 PolarHBondContact O-N 3.49Å; S454-S458 PolarHBondContact O-OG 3.38Å; L455-S458 PolarHBondContact O-N 3.1Å; S458-Y461 WeakPolarHBondContact O-CB 3.25Å; S458-V462 WeakPolarHBondContact O-CG2 3.42Å; S458-V462 PolarHBondContact O-N 3.38Å; S458-V462 VanDerWaalsContact O-N 3.09Å
459	A	86.8	Confident	90.3	Very high	44 Å²	44	21 Å²	21	36%	0.364	12%	0.123	S	C	.	.	H	α-helix	trans	-66.3	-43.5	174.1	0	0	0	0	0	111.8	L455 R457 V462 S463	L455-A459 VanDerWaalsContact O-CB 3.27Å; L455-A459 WeakPolarHBondContact O-CB 3.37Å; L455-A459 PolarHBondContact O-N 3.25Å; R457-A459 VanDerWaalsContact C-N 3.32Å; R457-A459 PolarHBondContact O-N 2.94Å; A459-V462 PolarHBondContact O-N 3.19Å; A459-S463 WeakPolarHBondContact O-CB 3.48Å; A459-S463 PolarHBondContact O-N 3.4Å
460	V	85.9	Confident	90.1	Very high	27 Å²	27	21.6 Å²	21.6	16%	0.164	13%	0.127	C	C	.	.	H	α-helix	trans	-66.6	-42.4	177.2	172.6	0	0	0	0	111.4	T137 M141 S456 R457 V462 S463 A464	T137-V460 HydrophobicContact CG2-CG1 3.6Å; M141-V460 HydrophobicContact CE-CB 4.43Å; M141-V460 HydrophobicContact CE-CG2 3.92Å; M141-V460 HydrophobicContact SD-CB 3.5Å; M141-V460 WeakPolarHBondContact SD-CB 3.36Å; M141-V460 HydrophobicContact SD-CG1 3.53Å; M141-V460 VanDerWaalsContact SD-CG1 3.53Å; M141-V460 HydrophobicContact SD-CG2 3.51Å; M141-V460 VanDerWaalsContact SD-CG2 3.51Å; S456-V460 WeakPolarHBondContact O-CG2 3.32Å; S456-V460 PolarHBondContact O-N 3.48Å; S456-V460 VanDerWaalsContact O-N 3.11Å; R457-V460 PolarHBondContact O-N 3.45Å; V460-V462 VanDerWaalsContact C-N 3.34Å; V460-V462 PolarHBondContact O-N 2.84Å; V460-S463 WeakPolarHBondContact CA-OG 3.3Å; V460-S463 CarbonylContact O-C 3.33Å; V460-S463 PolarHBondContact O-N 3.46Å; V460-S463 PolarHBondContact O-OG 3.42Å; V460-A464 WeakPolarHBondContact O-CB 3.05Å; V460-A464 PolarHBondContact O-N 2.86Å
461	Y	90.7	Very high	89.8	Confident	12 Å²	12	21.7 Å²	21.7	5%	0.047	13%	0.128	C	C	.	.	H	α-helix	trans	-49.8	-53.3	172.7	168.3	-101.2	0	0	0	111.9	A134 V138 R178 H179 R457 S458 S463 A464 G466 R467 T468 A471	A134-Y461 HydrophobicContact CB-CD2 3.87Å; A134-Y461 HydrophobicContact CB-CE2 4Å; V138-Y461 HydrophobicContact CG2-CD2 4.2Å; V138-Y461 HydrophobicContact CG2-CG 4.37Å; R178-Y461 PolarHBondContact O-OH 2.9Å; R178-Y461 VanDerWaalsContact O-OH 3.05Å; H179-Y461 HydrophobicContact CB-CD1 3.96Å; H179-Y461 HydrophobicContact CB-CE1 3.66Å; H179-Y461 AromaticContact CD2-CE1 3.54Å; H179-Y461 AromaticContact CG-CE1 3.83Å; H179-Y461 WeakPolarHBondContact O-CD1 3.31Å; R457-Y461 VanDerWaalsContact O-CB 3.28Å; R457-Y461 WeakPolarHBondContact O-CB 3.48Å; R457-Y461 PolarHBondContact O-N 3.33Å; S458-Y461 WeakPolarHBondContact O-CB 3.25Å; Y461-S463 VanDerWaalsContact C-N 3.33Å; Y461-S463 PolarHBondContact O-N 3.25Å; Y461-A464 PolarHBondContact O-N 3.25Å; Y461-G466 VanDerWaalsContact CZ-C 3.49Å; Y461-G466 PolarHBondContact O-N 3.45Å; Y461-G466 VanDerWaalsContact O-N 3.11Å; Y461-G466 VanDerWaalsContact OH-C 3.24Å; Y461-R467 VanDerWaalsContact OH-C 3.28Å; Y461-R467 PolarHBondContact OH-N 3.45Å; Y461-R467 VanDerWaalsContact OH-N 3.12Å; Y461-T468 WeakPolarHBondContact OH-CA 3.37Å; Y461-T468 PolarHBondContact OH-N 3.5Å; Y461-T468 PolarHBondContact OH-O 2.86Å; Y461-A471 HydrophobicContact CD2-CB 4.01Å; Y461-A471 HydrophobicContact CE2-CB 3.34Å
462	V	89.7	Confident	89.7	Confident	37 Å²	37	22.8 Å²	22.8	22%	0.224	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-41.5	176.9	170	0	0	0	0	111.3	H179 F419 F423 S458 A459 V460 A464 G465	H179-V462 HydrophobicContact CB-CG2 3.93Å; F419-V462 HydrophobicContact CD1-CG2 3.74Å; F419-V462 HydrophobicContact CE1-CB 4.29Å; F419-V462 HydrophobicContact CE1-CG2 3.57Å; F419-V462 HydrophobicContact CZ-CG2 4.38Å; F423-V462 HydrophobicContact CE2-CG1 3.82Å; F423-V462 HydrophobicContact CE2-CG2 3.86Å; F423-V462 HydrophobicContact CZ-CG1 3.52Å; F423-V462 HydrophobicContact CZ-CG2 4.33Å; S458-V462 WeakPolarHBondContact O-CG2 3.42Å; S458-V462 PolarHBondContact O-N 3.38Å; S458-V462 VanDerWaalsContact O-N 3.09Å; A459-V462 PolarHBondContact O-N 3.19Å; V460-V462 VanDerWaalsContact C-N 3.34Å; V460-V462 PolarHBondContact O-N 2.84Å; V462-A464 VanDerWaalsContact C-N 3.26Å; V462-A464 PolarHBondContact O-N 3.09Å; V462-G465 PolarHBondContact O-N 3.25Å
463	S	84.5	Confident	89.6	Confident	51 Å²	51	26.7 Å²	26.7	36%	0.357	16%	0.156	S	C	.	.	H	α-helix	trans	-68.5	-24.3	-178.7	83.8	0	0	0	0	113.8	R341 A459 V460 Y461 G465	R341-S463 VanDerWaalsContact NH1-CB 3.29Å; R341-S463 PolarHBondContact NH1-OG 2.89Å; R341-S463 PolarHBondContact NH2-OG 2.72Å; A459-S463 WeakPolarHBondContact O-CB 3.48Å; A459-S463 PolarHBondContact O-N 3.4Å; V460-S463 WeakPolarHBondContact CA-OG 3.3Å; V460-S463 CarbonylContact O-C 3.33Å; V460-S463 PolarHBondContact O-N 3.46Å; V460-S463 PolarHBondContact O-OG 3.42Å; Y461-S463 VanDerWaalsContact C-N 3.33Å; Y461-S463 PolarHBondContact O-N 3.25Å; S463-G465 PolarHBondContact O-N 2.94Å
464	A	86.1	Confident	89.7	Confident	2 Å²	2	28.8 Å²	28.8	2%	0.017	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	4.5	174.2	0	0	0	0	0	112.4	A134 T137 P347 V460 Y461 V462	A134-A464 HydrophobicContact CB-CB 3.84Å; T137-A464 HydrophobicContact CG2-CB 4.39Å; P347-A464 HydrophobicContact CG-CB 4.32Å; V460-A464 WeakPolarHBondContact O-CB 3.05Å; V460-A464 PolarHBondContact O-N 2.86Å; Y461-A464 PolarHBondContact O-N 3.25Å; V462-A464 VanDerWaalsContact C-N 3.26Å; V462-A464 PolarHBondContact O-N 3.09Å
465	G	86.7	Confident	89.8	Confident	21 Å²	21	28.6 Å²	28.6	22%	0.216	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	7.5	177.7	0	0	0	0	0	114.7	N130 V462 S463 R467	N130-G465 WeakPolarHBondContact CB-O 3.37Å; V462-G465 PolarHBondContact O-N 3.25Å; S463-G465 PolarHBondContact O-N 2.94Å; G465-R467 WeakPolarHBondContact O-CG 3.46Å; G465-R467 PolarHBondContact O-N 3.34Å
466	G	90.2	Very high	90.3	Very high	2 Å²	2	25 Å²	25	2%	0.021	15%	0.145	C	C	.	.			trans	-55.3	133.7	179.7	0	0	0	0	0	112.6	Y461	Y461-G466 VanDerWaalsContact CZ-C 3.49Å; Y461-G466 PolarHBondContact O-N 3.45Å; Y461-G466 VanDerWaalsContact O-N 3.11Å; Y461-G466 VanDerWaalsContact OH-C 3.24Å
467	R	89.7	Confident	90.7	Very high	115 Å²	115	28.3 Å²	28.3	43%	0.434	16%	0.16	S	C	.	.			trans	-114.4	-32.6	-174.6	-61.7	-56.7	-173.5	161.7	0.5	113	W127 D131 Y461 G465	W127-R467 HydrophobicContact CB-CB 4.5Å; W127-R467 HydrophobicContact CD2-CB 4.3Å; W127-R467 HydrophobicContact CG-CB 4.17Å; W127-R467 HydrophobicContact CG-CG 4.22Å; D131-R467 PolarHBondContact OD1-N 3.18Å; Y461-R467 VanDerWaalsContact OH-C 3.28Å; Y461-R467 PolarHBondContact OH-N 3.45Å; Y461-R467 VanDerWaalsContact OH-N 3.12Å; G465-R467 WeakPolarHBondContact O-CG 3.46Å; G465-R467 PolarHBondContact O-N 3.34Å
468	T	92	Very high	90.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	17%	0.168	C	C	.	.	S	Bend	trans	-138.3	161.2	-178.1	82	0	0	0	0	114.2	I118 Y122 W127 D131 R178 Y461 V470 A471	I118-T468 HydrophobicContact CG2-CG2 3.9Å; Y122-T468 HydrophobicContact CD2-CG2 3.86Å; Y122-T468 HydrophobicContact CE2-CG2 3.61Å; Y122-T468 WeakPolarHBondContact CE2-OG1 3.49Å; W127-T468 HydrophobicContact CE3-CG2 3.73Å; W127-T468 HydrophobicContact CZ3-CG2 4.05Å; D131-T468 PolarHBondContact OD1-N 3.4Å; D131-T468 PolarHBondContact OD2-OG1 3.28Å; R178-T468 CarbonylContact O-C 3.5Å; Y461-T468 WeakPolarHBondContact OH-CA 3.37Å; Y461-T468 PolarHBondContact OH-N 3.5Å; Y461-T468 PolarHBondContact OH-O 2.86Å; T468-V470 PolarHBondContact O-N 2.94Å; T468-V470 WeakPolarHBondContact OG1-CB 3.29Å; T468-V470 VanDerWaalsContact OG1-CG2 3.32Å; T468-V470 WeakPolarHBondContact OG1-CG2 3.41Å; T468-V470 PolarHBondContact OG1-N 2.92Å; T468-A471 PolarHBondContact O-N 3.07Å
469	Q	90.9	Very high	90.8	Very high	10 Å²	10	30 Å²	30	5%	0.047	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-11.1	175.4	64.9	-175	-6.1	0	0	114.3	I118 F172 G175 R178 A471 S472	I118-Q469 HydrophobicContact CD1-CG 4.14Å; F172-Q469 HydrophobicContact CD2-CB 4.38Å; F172-Q469 HydrophobicContact CD2-CG 3.86Å; F172-Q469 WeakPolarHBondContact CD2-O 3.41Å; F172-Q469 HydrophobicContact CE2-CG 4.18Å; F172-Q469 PolarHBondContact O-NE2 2.91Å; F172-Q469 PolarHBondContact O-OE1 2.73Å; G175-Q469 PolarHBondContact O-OE1 3.21Å; R178-Q469 PolarHBondContact O-N 3.31Å; Q469-A471 PolarHBondContact O-N 3.38Å; Q469-A471 VanDerWaalsContact O-N 3.16Å; Q469-S472 VanDerWaalsContact O-CB 3.29Å; Q469-S472 WeakPolarHBondContact O-CB 3.36Å; Q469-S472 PolarHBondContact O-N 3.45Å; Q469-S472 PolarHBondContact O-OG 2.97Å
470	V	91.7	Very high	91	Very high	14 Å²	14	30.9 Å²	30.9	9%	0.085	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.7	173.3	178.7	0	0	0	0	111.7	L119 Y122 F172 T468 S472 L473 F474	L119-V470 HydrophobicContact CD2-CG2 4Å; Y122-V470 HydrophobicContact CD2-CG2 4.45Å; Y122-V470 HydrophobicContact CE2-CB 4.5Å; Y122-V470 HydrophobicContact CE2-CG2 4.12Å; F172-V470 HydrophobicContact CE2-CB 4.36Å; F172-V470 HydrophobicContact CE2-CG2 3.92Å; T468-V470 PolarHBondContact O-N 2.94Å; T468-V470 WeakPolarHBondContact OG1-CB 3.29Å; T468-V470 VanDerWaalsContact OG1-CG2 3.32Å; T468-V470 WeakPolarHBondContact OG1-CG2 3.41Å; T468-V470 PolarHBondContact OG1-N 2.92Å; V470-S472 PolarHBondContact O-N 3.22Å; V470-S472 VanDerWaalsContact O-N 3.15Å; V470-L473 VanDerWaalsContact O-CB 3.27Å; V470-L473 WeakPolarHBondContact O-CB 3.41Å; V470-L473 PolarHBondContact O-N 2.8Å; V470-F474 HydrophobicContact CG1-CE2 4.14Å
471	A	91.9	Very high	91.2	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-56.1	-30.4	173.5	0	0	0	0	0	113.7	D131 G135 Y461 T468 Q469 L473 F474 S475	D131-A471 HydrophobicContact CB-CB 4.08Å; D131-A471 WeakPolarHBondContact O-CA 3.3Å; D131-A471 VanDerWaalsContact O-CB 3.23Å; D131-A471 WeakPolarHBondContact O-CB 3.48Å; G135-A471 WeakPolarHBondContact CA-O 3.22Å; Y461-A471 HydrophobicContact CD2-CB 4.01Å; Y461-A471 HydrophobicContact CE2-CB 3.34Å; T468-A471 PolarHBondContact O-N 3.07Å; Q469-A471 PolarHBondContact O-N 3.38Å; Q469-A471 VanDerWaalsContact O-N 3.16Å; A471-L473 PolarHBondContact O-N 3.25Å; A471-F474 PolarHBondContact O-N 3.19Å; A471-S475 PolarHBondContact O-N 3.02Å
472	S	92.6	Very high	91	Very high	25 Å²	25	33.4 Å²	33.4	18%	0.175	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-31.1	175.4	67.5	0	0	0	0	112	Q469 V470 S475 C476	Q469-S472 VanDerWaalsContact O-CB 3.29Å; Q469-S472 WeakPolarHBondContact O-CB 3.36Å; Q469-S472 PolarHBondContact O-N 3.45Å; Q469-S472 PolarHBondContact O-OG 2.97Å; V470-S472 PolarHBondContact O-N 3.22Å; V470-S472 VanDerWaalsContact O-N 3.15Å; S472-S475 WeakPolarHBondContact CA-OG 3.43Å; S472-S475 WeakPolarHBondContact O-CB 3.45Å; S472-S475 PolarHBondContact O-N 3.42Å; S472-S475 PolarHBondContact O-OG 2.76Å; S472-C476 WeakPolarHBondContact O-CB 3.47Å; S472-C476 PolarHBondContact O-N 3.3Å; S472-C476 PolarHBondContact O-SG 3.4Å
473	L	94.1	Very high	90.8	Very high	81 Å²	81	32 Å²	32	42%	0.424	17%	0.171	S	C	.	.	H	α-helix	trans	-65.7	-42.7	176.1	-175.4	63.3	0	0	0	111.6	L169 V470 A471 S475 C476 L477	L169-L473 HydrophobicContact CD1-CD1 4.13Å; V470-L473 VanDerWaalsContact O-CB 3.27Å; V470-L473 WeakPolarHBondContact O-CB 3.41Å; V470-L473 PolarHBondContact O-N 2.8Å; A471-L473 PolarHBondContact O-N 3.25Å; L473-S475 VanDerWaalsContact C-N 3.32Å; L473-S475 PolarHBondContact O-N 3Å; L473-C476 WeakPolarHBondContact O-CB 3.36Å; L473-C476 PolarHBondContact O-N 3.1Å; L473-L477 PolarHBondContact O-N 3.29Å
474	F	95.3	Very high	90.9	Very high	44 Å²	44	35.1 Å²	35.1	19%	0.193	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-35.6	174.3	-66.4	-74	0	0	0	112	L128 T132 F136 V470 A471 C476 L477 L478	L128-F474 HydrophobicContact CD1-CE2 4.2Å; L128-F474 HydrophobicContact CD1-CZ 3.99Å; T132-F474 HydrophobicContact CG2-CD1 4.09Å; T132-F474 HydrophobicContact CG2-CE1 4.06Å; T132-F474 HydrophobicContact CG2-CG 4.43Å; T132-F474 HydrophobicContact CG2-CZ 4.38Å; T132-F474 WeakPolarHBondContact OG1-CE2 3.3Å; T132-F474 VanDerWaalsContact OG1-CZ 3.28Å; T132-F474 WeakPolarHBondContact OG1-CZ 3.35Å; F136-F474 HydrophobicContact CE2-CB 4.48Å; F136-F474 HydrophobicContact CE2-CD1 4.09Å; F136-F474 HydrophobicContact CZ-CD1 4.41Å; V470-F474 HydrophobicContact CG1-CE2 4.14Å; A471-F474 PolarHBondContact O-N 3.19Å; F474-C476 VanDerWaalsContact C-N 3.32Å; F474-C476 PolarHBondContact O-N 3.26Å; F474-L477 PolarHBondContact O-N 2.87Å; F474-L478 PolarHBondContact O-N 3.43Å; F474-L478 VanDerWaalsContact O-N 3.15Å
475	S	93.6	Very high	90.8	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-39.8	172.2	81.1	0	0	0	0	111.8	G135 A471 S472 L473 L478 L479	G135-S475 WeakPolarHBondContact O-CA 3.46Å; G135-S475 VanDerWaalsContact O-CB 3.23Å; G135-S475 WeakPolarHBondContact O-CB 3.3Å; A471-S475 PolarHBondContact O-N 3.02Å; S472-S475 WeakPolarHBondContact CA-OG 3.43Å; S472-S475 WeakPolarHBondContact O-CB 3.45Å; S472-S475 PolarHBondContact O-N 3.42Å; S472-S475 PolarHBondContact O-OG 2.76Å; L473-S475 VanDerWaalsContact C-N 3.32Å; L473-S475 PolarHBondContact O-N 3Å; S475-L478 PolarHBondContact O-N 2.92Å; S475-L479 WeakPolarHBondContact O-CG 3.44Å; S475-L479 PolarHBondContact O-N 3.4Å
476	C	95.6	Very high	90.4	Very high	2 Å²	2	44 Å²	44	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-40.8	176.8	-70.7	0	0	0	0	111.8	F165 S472 L473 F474 L478 L479 I480	F165-C476 HydrophobicContact CD2-CB 3.82Å; F165-C476 HydrophobicContact CE2-CB 3.7Å; S472-C476 WeakPolarHBondContact O-CB 3.47Å; S472-C476 PolarHBondContact O-N 3.3Å; S472-C476 PolarHBondContact O-SG 3.4Å; L473-C476 WeakPolarHBondContact O-CB 3.36Å; L473-C476 PolarHBondContact O-N 3.1Å; F474-C476 VanDerWaalsContact C-N 3.32Å; F474-C476 PolarHBondContact O-N 3.26Å; C476-L478 VanDerWaalsContact C-N 3.32Å; C476-L478 PolarHBondContact O-N 2.88Å; C476-L479 PolarHBondContact O-N 2.87Å; C476-I480 WeakPolarHBondContact O-CG1 3.49Å; C476-I480 PolarHBondContact O-N 3.35Å
477	L	94.8	Very high	89.5	Confident	101 Å²	101	44 Å²	44	53%	0.529	21%	0.213	S	C	.	.	H	α-helix	trans	-58	-44.4	175.1	-179.7	64	0	0	0	111.5	F136 L473 F474 L481	F136-L477 HydrophobicContact CZ-CD2 4.32Å; L473-L477 PolarHBondContact O-N 3.29Å; F474-L477 PolarHBondContact O-N 2.87Å; L477-L481 PolarHBondContact O-N 3.38Å
478	L	92.5	Very high	88.9	Confident	34 Å²	34	41.8 Å²	41.8	18%	0.178	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-44.1	174.9	-173.5	77.8	0	0	0	111.7	F136 I140 F474 S475 C476 I480 L481 V482	F136-L478 HydrophobicContact CD1-CB 4Å; F136-L478 HydrophobicContact CD1-CD1 4.09Å; F136-L478 HydrophobicContact CD1-CG 4.45Å; F136-L478 HydrophobicContact CE1-CB 4.15Å; F136-L478 HydrophobicContact CE1-CD1 4.3Å; I140-L478 HydrophobicContact CB-CD2 4.39Å; I140-L478 HydrophobicContact CG1-CD2 3.66Å; I140-L478 VanDerWaalsContact N-CD2 3.35Å; F474-L478 PolarHBondContact O-N 3.43Å; F474-L478 VanDerWaalsContact O-N 3.15Å; S475-L478 PolarHBondContact O-N 2.92Å; C476-L478 VanDerWaalsContact C-N 3.32Å; C476-L478 PolarHBondContact O-N 2.88Å; L478-I480 VanDerWaalsContact C-N 3.32Å; L478-I480 PolarHBondContact O-N 3.49Å; L478-L481 WeakPolarHBondContact O-CB 3.31Å; L478-L481 PolarHBondContact O-N 2.95Å; L478-L481 VanDerWaalsContact O-N 3.12Å; L478-V482 HydrophobicContact CG-CG2 4.37Å; L478-V482 VanDerWaalsContact O-CG2 3.25Å; L478-V482 WeakPolarHBondContact O-CG2 3.45Å; L478-V482 PolarHBondContact O-N 3.4Å
479	L	91.8	Very high	88.3	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-35.9	-179.5	-73.7	171.5	0	0	0	112.7	H142 V143 L161 F165 S475 C476 V482 L483	H142-L479 HydrophobicContact CB-CD1 3.94Å; H142-L479 HydrophobicContact CB-CD2 3.84Å; H142-L479 HydrophobicContact CB-CG 4.3Å; V143-L479 HydrophobicContact CG2-CD2 3.77Å; L161-L479 HydrophobicContact CD2-CD2 4.48Å; F165-L479 HydrophobicContact CB-CB 4.17Å; F165-L479 HydrophobicContact CB-CD1 4.04Å; F165-L479 HydrophobicContact CD2-CB 4.11Å; S475-L479 WeakPolarHBondContact O-CG 3.44Å; S475-L479 PolarHBondContact O-N 3.4Å; C476-L479 PolarHBondContact O-N 2.87Å; L479-V482 PolarHBondContact O-N 3.27Å; L479-L483 WeakPolarHBondContact O-CB 3.42Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.29Å; L479-L483 PolarHBondContact O-N 3.16Å
480	I	91	Very high	87.8	Confident	63 Å²	63	47 Å²	47	32%	0.323	24%	0.241	S	C	.	.	H	α-helix	trans	-58.6	-50.7	170.3	-71.3	170	0	0	0	109.7	F165 C476 L478 V482 L483 F484	F165-I480 HydrophobicContact CD2-CG1 4.09Å; F165-I480 HydrophobicContact CE1-CG1 4.41Å; F165-I480 HydrophobicContact CE2-CD1 3.55Å; F165-I480 HydrophobicContact CE2-CG1 3.34Å; F165-I480 HydrophobicContact CZ-CD1 3.63Å; F165-I480 HydrophobicContact CZ-CG1 3.54Å; C476-I480 WeakPolarHBondContact O-CG1 3.49Å; C476-I480 PolarHBondContact O-N 3.35Å; L478-I480 VanDerWaalsContact C-N 3.32Å; L478-I480 PolarHBondContact O-N 3.49Å; I480-V482 VanDerWaalsContact C-N 3.27Å; I480-V482 PolarHBondContact O-N 2.84Å; I480-L483 PolarHBondContact O-N 2.96Å; I480-F484 HydrophobicContact CG2-CD2 3.88Å; I480-F484 HydrophobicContact CG2-CE2 4.06Å; I480-F484 WeakPolarHBondContact O-CD2 3.4Å; I480-F484 PolarHBondContact O-N 3.03Å; I480-F484 VanDerWaalsContact O-N 3.08Å
481	L	89.2	Confident	87.3	Confident	87 Å²	87	50.9 Å²	50.9	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-59	-39.9	178.6	-175.3	138.3	0	0	0	111.6	L477 L478 F485	L477-L481 PolarHBondContact O-N 3.38Å; L478-L481 WeakPolarHBondContact O-CB 3.31Å; L478-L481 PolarHBondContact O-N 2.95Å; L478-L481 VanDerWaalsContact O-N 3.12Å; L481-F485 HydrophobicContact CD1-CD2 4.46Å; L481-F485 HydrophobicContact CG-CD2 3.8Å; L481-F485 HydrophobicContact CG-CE2 4.27Å; L481-F485 WeakPolarHBondContact O-CB 3.33Å; L481-F485 VanDerWaalsContact O-CD2 3.29Å; L481-F485 WeakPolarHBondContact O-CD2 3.3Å; L481-F485 PolarHBondContact O-N 3.07Å
482	V	87.4	Confident	87.1	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.036	26%	0.262	C	S	.	.	I	π-helix	trans	-64.7	-45.7	176.5	174	0	0	0	0	111.7	V143 L161 L478 L479 I480 F484 I486	V143-V482 HydrophobicContact CG1-CG1 3.96Å; V143-V482 HydrophobicContact CG2-CB 4.2Å; V143-V482 HydrophobicContact CG2-CG1 3.86Å; V143-V482 HydrophobicContact CG2-CG2 3.69Å; L161-V482 HydrophobicContact CD1-CG1 4.47Å; L478-V482 HydrophobicContact CG-CG2 4.37Å; L478-V482 VanDerWaalsContact O-CG2 3.25Å; L478-V482 WeakPolarHBondContact O-CG2 3.45Å; L478-V482 PolarHBondContact O-N 3.4Å; L479-V482 PolarHBondContact O-N 3.27Å; I480-V482 VanDerWaalsContact C-N 3.27Å; I480-V482 PolarHBondContact O-N 2.84Å; V482-F484 VanDerWaalsContact C-N 3.32Å; V482-F484 PolarHBondContact O-N 3.33Å; V482-I486 HydrophobicContact CB-CD1 4.33Å; V482-I486 HydrophobicContact CG1-CB 4.09Å; V482-I486 HydrophobicContact CG1-CD1 4.38Å; V482-I486 HydrophobicContact CG1-CG2 4.2Å; V482-I486 HydrophobicContact CG2-CD1 3.87Å; V482-I486 WeakPolarHBondContact O-CB 3.49Å; V482-I486 PolarHBondContact O-N 2.92Å
483	L	85.7	Confident	87.1	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.042	25%	0.254	C	S	.	.	I	π-helix	trans	-62.6	-36	-179.7	-76.3	167.5	0	0	0	112.8	L161 Y162 G382 I383 L479 I480	L161-L483 HydrophobicContact CB-CD2 3.78Å; L161-L483 HydrophobicContact CB-CG 4.48Å; L161-L483 HydrophobicContact CD1-CD2 4.01Å; Y162-L483 HydrophobicContact CD1-CD1 4.12Å; Y162-L483 HydrophobicContact CD1-CD2 4.13Å; Y162-L483 HydrophobicContact CE1-CD1 4.14Å; Y162-L483 HydrophobicContact CE1-CD2 3.76Å; G382-L483 WeakPolarHBondContact CA-O 3.49Å; G382-L483 PolarHBondContact N-O 3.39Å; I383-L483 HydrophobicContact CG1-CD1 4.22Å; L479-L483 WeakPolarHBondContact O-CB 3.42Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.29Å; L479-L483 PolarHBondContact O-N 3.16Å; I480-L483 PolarHBondContact O-N 2.96Å
484	F	85.8	Confident	87	Confident	115 Å²	115	46.6 Å²	46.6	50%	0.504	23%	0.234	S	C	.	.	I	π-helix	trans	-84.4	-40.6	179.6	-80.6	-82.2	0	0	0	113.7	I383 I480 V482	I383-F484 HydrophobicContact CD1-CE2 3.98Å; I383-F484 HydrophobicContact CD1-CZ 4.49Å; I383-F484 HydrophobicContact CG1-CE2 4.11Å; I383-F484 HydrophobicContact CG1-CZ 4.45Å; I480-F484 HydrophobicContact CG2-CD2 3.88Å; I480-F484 HydrophobicContact CG2-CE2 4.06Å; I480-F484 WeakPolarHBondContact O-CD2 3.4Å; I480-F484 PolarHBondContact O-N 3.03Å; I480-F484 VanDerWaalsContact O-N 3.08Å; V482-F484 VanDerWaalsContact C-N 3.32Å; V482-F484 PolarHBondContact O-N 3.33Å
485	F	83.8	Confident	86.9	Confident	153 Å²	153	45.7 Å²	45.7	67%	0.671	23%	0.231	S	C	*	.	I	π-helix	trans	-103.1	-33.6	-169.8	-66.7	-82.5	0	0	0	114.5	L481	L481-F485 HydrophobicContact CD1-CD2 4.46Å; L481-F485 HydrophobicContact CG-CD2 3.8Å; L481-F485 HydrophobicContact CG-CE2 4.27Å; L481-F485 WeakPolarHBondContact O-CB 3.33Å; L481-F485 VanDerWaalsContact O-CD2 3.29Å; L481-F485 WeakPolarHBondContact O-CD2 3.3Å; L481-F485 PolarHBondContact O-N 3.07Å
486	I	78.8	Confident	87	Confident	57 Å²	57	45.8 Å²	45.8	29%	0.292	23%	0.231	S	C	.	.	I	π-helix	trans	-95.1	-12.4	-169	-72	164.7	0	0	0	112.7	V482 P488 L489 L490	V482-I486 HydrophobicContact CB-CD1 4.33Å; V482-I486 HydrophobicContact CG1-CB 4.09Å; V482-I486 HydrophobicContact CG1-CD1 4.38Å; V482-I486 HydrophobicContact CG1-CG2 4.2Å; V482-I486 HydrophobicContact CG2-CD1 3.87Å; V482-I486 WeakPolarHBondContact O-CB 3.49Å; V482-I486 PolarHBondContact O-N 2.92Å; I486-P488 VanDerWaalsContact O-N 3.13Å; I486-L489 HydrophobicContact CG1-CD1 4.43Å; I486-L489 HydrophobicContact CG2-CB 4.35Å; I486-L489 WeakPolarHBondContact O-CB 3.41Å; I486-L489 PolarHBondContact O-N 3.07Å; I486-L490 HydrophobicContact CG2-CD1 4.35Å; I486-L490 HydrophobicContact CG2-CD2 3.82Å; I486-L490 HydrophobicContact CG2-CG 3.86Å; I486-L490 PolarHBondContact O-N 3.07Å
487	G	72.4	Confident	86.9	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.031	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-40.9	-52.2	-179.1	0	0	0	0	0	115.4	L489 L490	G487-L489 VanDerWaalsContact C-N 3.34Å; G487-L489 PolarHBondContact O-N 2.99Å; G487-L490 WeakPolarHBondContact O-CB 3.3Å; G487-L490 PolarHBondContact O-N 2.86Å; G487-L490 VanDerWaalsContact O-N 3.14Å
488	P	75.6	Confident	86.8	Confident	68 Å²	68	40.9 Å²	40.9	44%	0.442	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-61.5	-36.3	178.1	-27.3	37.6	0	0	0	114.9	I486 L490 F491	I486-P488 VanDerWaalsContact O-N 3.13Å; P488-L490 PolarHBondContact O-N 3.27Å; P488-F491 VanDerWaalsContact O-CB 3.31Å; P488-F491 WeakPolarHBondContact O-CB 3.41Å; P488-F491 PolarHBondContact O-N 3.14Å
489	L	79.8	Confident	86.9	Confident	112 Å²	112	39.3 Å²	39.3	59%	0.586	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-67.5	-25.6	179.3	-71.9	153.7	0	0	0	111.2	T359 I486 G487 F491	T359-L489 VanDerWaalsContact CG2-O 3.3Å; T359-L489 WeakPolarHBondContact CG2-O 3.28Å; I486-L489 HydrophobicContact CG1-CD1 4.43Å; I486-L489 HydrophobicContact CG2-CB 4.35Å; I486-L489 WeakPolarHBondContact O-CB 3.41Å; I486-L489 PolarHBondContact O-N 3.07Å; G487-L489 VanDerWaalsContact C-N 3.34Å; G487-L489 PolarHBondContact O-N 2.99Å; L489-F491 VanDerWaalsContact C-N 3.26Å; L489-F491 PolarHBondContact O-N 3.16Å
490	L	80.7	Confident	87.1	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.037	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-73.9	-17.1	179.7	-59.5	179.2	0	0	0	113.2	M147 L161 I379 I486 G487 P488 S492 V493	M147-L490 HydrophobicContact CE-CB 3.96Å; M147-L490 HydrophobicContact CE-CD1 4.02Å; M147-L490 HydrophobicContact CE-CD2 3.98Å; M147-L490 HydrophobicContact CE-CG 4.19Å; M147-L490 HydrophobicContact SD-CD1 3.83Å; M147-L490 HydrophobicContact SD-CD2 3.73Å; M147-L490 HydrophobicContact SD-CG 4.28Å; L161-L490 HydrophobicContact CD1-CD1 3.95Å; I379-L490 HydrophobicContact CD1-CB 3.25Å; I379-L490 HydrophobicContact CD1-CD1 4.1Å; I379-L490 HydrophobicContact CD1-CG 4.32Å; I486-L490 HydrophobicContact CG2-CD1 4.35Å; I486-L490 HydrophobicContact CG2-CD2 3.82Å; I486-L490 HydrophobicContact CG2-CG 3.86Å; I486-L490 PolarHBondContact O-N 3.07Å; G487-L490 WeakPolarHBondContact O-CB 3.3Å; G487-L490 PolarHBondContact O-N 2.86Å; G487-L490 VanDerWaalsContact O-N 3.14Å; P488-L490 PolarHBondContact O-N 3.27Å; L490-S492 VanDerWaalsContact C-N 3.34Å; L490-S492 PolarHBondContact O-N 3.36Å; L490-V493 HydrophobicContact CB-CG2 4.45Å; L490-V493 HydrophobicContact CD2-CG2 4.17Å; L490-V493 WeakPolarHBondContact O-CB 3.19Å; L490-V493 WeakPolarHBondContact O-CG2 3.43Å; L490-V493 PolarHBondContact O-N 3.04Å
491	F	82	Confident	87.2	Confident	96 Å²	96	36.3 Å²	36.3	42%	0.421	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-47.9	178.8	176.6	-93.7	0	0	0	112.2	I375 G377 E378 P488 L489 V493	I375-F491 HydrophobicContact CD1-CD1 4.38Å; I375-F491 HydrophobicContact CD1-CE1 3.85Å; I375-F491 HydrophobicContact CD1-CZ 4.1Å; G377-F491 PolarHBondContact N-O 3.2Å; G377-F491 WeakPolarHBondContact O-CA 3.49Å; G377-F491 VanDerWaalsContact O-CD2 3.29Å; G377-F491 WeakPolarHBondContact O-CD2 3.28Å; E378-F491 HydrophobicContact CB-CD2 4.5Å; E378-F491 HydrophobicContact CB-CE2 4.47Å; P488-F491 VanDerWaalsContact O-CB 3.31Å; P488-F491 WeakPolarHBondContact O-CB 3.41Å; P488-F491 PolarHBondContact O-N 3.14Å; L489-F491 VanDerWaalsContact C-N 3.26Å; L489-F491 PolarHBondContact O-N 3.16Å; F491-V493 PolarHBondContact O-N 2.87Å
492	S	86.9	Confident	87.3	Confident	20 Å²	20	32.3 Å²	32.3	14%	0.14	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	2	-174.8	-53.2	0	0	0	0	113.5	S362 L490 P494	S362-S492 WeakPolarHBondContact CB-O 3.38Å; S362-S492 PolarHBondContact OG-O 3.49Å; L490-S492 VanDerWaalsContact C-N 3.34Å; L490-S492 PolarHBondContact O-N 3.36Å; S492-P494 WeakPolarHBondContact O-CD 3.24Å
493	V	91.7	Very high	87.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.			trans	-66.3	123.5	-178.5	174.7	0	0	0	0	109.2	V355 T359 I375 V376 L490 F491 L498	V355-V493 HydrophobicContact CG1-CG1 4.29Å; V355-V493 HydrophobicContact CG1-CG2 4.04Å; T359-V493 HydrophobicContact CG2-CG2 4.41Å; T359-V493 WeakPolarHBondContact OG1-CG2 3.12Å; I375-V493 WeakPolarHBondContact CA-O 3.46Å; V376-V493 HydrophobicContact CG2-CB 3.96Å; V376-V493 HydrophobicContact CG2-CG1 4.16Å; V376-V493 WeakPolarHBondContact CG2-O 3.28Å; V376-V493 PolarHBondContact N-O 2.92Å; L490-V493 HydrophobicContact CB-CG2 4.45Å; L490-V493 HydrophobicContact CD2-CG2 4.17Å; L490-V493 WeakPolarHBondContact O-CB 3.19Å; L490-V493 WeakPolarHBondContact O-CG2 3.43Å; L490-V493 PolarHBondContact O-N 3.04Å; F491-V493 PolarHBondContact O-N 2.87Å; V493-L498 HydrophobicContact CG1-CD1 4.32Å; V493-L498 HydrophobicContact CG1-CD2 4.32Å; V493-L498 HydrophobicContact CG1-CG 4.16Å
494	P	93.6	Very high	87.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-75	135.4	176.7	28.4	-31.9	0	0	0	111.4	V373 S492 F496 C497	V373-P494 HydrophobicContact CG1-CB 4.29Å; S492-P494 WeakPolarHBondContact O-CD 3.24Å; P494-F496 VanDerWaalsContact C-N 3.26Å; P494-F496 HydrophobicContact CB-CD1 3.63Å; P494-F496 HydrophobicContact CB-CE1 3.3Å; P494-F496 HydrophobicContact CB-CG 4.39Å; P494-F496 HydrophobicContact CB-CZ 3.79Å; P494-F496 HydrophobicContact CG-CD1 4.38Å; P494-F496 HydrophobicContact CG-CE1 3.75Å; P494-F496 HydrophobicContact CG-CE2 4.29Å; P494-F496 HydrophobicContact CG-CZ 3.67Å; P494-F496 PolarHBondContact O-N 3.16Å; P494-C497 HydrophobicContact CG-CB 4.09Å; P494-C497 WeakPolarHBondContact O-CB 3.31Å; P494-C497 PolarHBondContact O-N 3.14Å; P494-C497 VanDerWaalsContact O-N 3.15Å
495	I	93	Very high	88.1	Confident	25 Å²	25	29.2 Å²	29.2	13%	0.128	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-33.7	-177.1	-65.4	-176	0	0	0	111.7	L151 N285 K374 V376 C497 L498 S499	L151-I495 HydrophobicContact CD1-CG1 4.46Å; L151-I495 HydrophobicContact CD1-CG2 3.98Å; N285-I495 HydrophobicContact CB-CG2 4.1Å; K374-I495 HydrophobicContact CB-CB 4.32Å; K374-I495 HydrophobicContact CB-CD1 3.86Å; K374-I495 HydrophobicContact CB-CG1 4.26Å; K374-I495 PolarHBondContact O-N 3.08Å; V376-I495 HydrophobicContact CG2-CG1 4.45Å; I495-C497 PolarHBondContact O-N 3.46Å; I495-L498 WeakPolarHBondContact O-CB 3.26Å; I495-L498 PolarHBondContact O-N 3.42Å; I495-L498 VanDerWaalsContact O-N 3.09Å; I495-S499 PolarHBondContact O-N 3.11Å
496	F	94.2	Very high	88.4	Confident	3 Å²	3	21.9 Å²	21.9	1%	0.013	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-32.5	179.2	73	-108.4	0	0	0	112.4	T318 M321 A322 L367 V373 P494 S499 A500	T318-F496 HydrophobicContact CG2-CB 3.88Å; T318-F496 HydrophobicContact CG2-CD1 4.03Å; T318-F496 HydrophobicContact CG2-CG 4.26Å; M321-F496 HydrophobicContact CB-CD2 4.37Å; M321-F496 HydrophobicContact CB-CE1 3.97Å; M321-F496 HydrophobicContact CB-CE2 3.72Å; M321-F496 HydrophobicContact CB-CZ 3.5Å; M321-F496 HydrophobicContact CE-CZ 4.38Å; M321-F496 HydrophobicContact CG-CZ 4.35Å; A322-F496 HydrophobicContact CB-CB 3.94Å; A322-F496 HydrophobicContact CB-CD2 4Å; A322-F496 HydrophobicContact CB-CG 4.21Å; L367-F496 HydrophobicContact CD1-CE1 4.38Å; V373-F496 HydrophobicContact CG1-CD1 3.81Å; V373-F496 HydrophobicContact CG1-CE1 3.87Å; P494-F496 VanDerWaalsContact C-N 3.26Å; P494-F496 HydrophobicContact CB-CD1 3.63Å; P494-F496 HydrophobicContact CB-CE1 3.3Å; P494-F496 HydrophobicContact CB-CG 4.39Å; P494-F496 HydrophobicContact CB-CZ 3.79Å; P494-F496 HydrophobicContact CG-CD1 4.38Å; P494-F496 HydrophobicContact CG-CE1 3.75Å; P494-F496 HydrophobicContact CG-CE2 4.29Å; P494-F496 HydrophobicContact CG-CZ 3.67Å; P494-F496 PolarHBondContact O-N 3.16Å; F496-S499 PolarHBondContact O-N 3.27Å; F496-A500 WeakPolarHBondContact O-CB 3.28Å; F496-A500 PolarHBondContact O-N 2.94Å
497	C	94.4	Very high	89	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68	-40.7	179	179.3	0	0	0	0	110.4	S358 P494 I495 A500 I501	S358-C497 PolarHBondContact OG-SG 3.1Å; P494-C497 HydrophobicContact CG-CB 4.09Å; P494-C497 WeakPolarHBondContact O-CB 3.31Å; P494-C497 PolarHBondContact O-N 3.14Å; P494-C497 VanDerWaalsContact O-N 3.15Å; I495-C497 PolarHBondContact O-N 3.46Å; C497-A500 WeakPolarHBondContact O-CB 3.2Å; C497-A500 PolarHBondContact O-N 2.82Å; C497-I501 WeakPolarHBondContact O-CG1 3.44Å; C497-I501 PolarHBondContact O-N 3.27Å; C497-I501 VanDerWaalsContact O-N 3.08Å
498	L	93.5	Very high	89.5	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-41.3	175.3	-62.4	178.1	0	0	0	111.2	M147 A148 L151 V376 V493 I495 I501 I502	M147-L498 HydrophobicContact CB-CD1 4.28Å; M147-L498 HydrophobicContact CB-CD2 4.2Å; A148-L498 HydrophobicContact CB-CB 3.83Å; A148-L498 HydrophobicContact CB-CD2 4.31Å; L151-L498 HydrophobicContact CD1-CB 4.39Å; L151-L498 HydrophobicContact CD1-CD1 3.67Å; V376-L498 HydrophobicContact CG2-CD1 3.83Å; V493-L498 HydrophobicContact CG1-CD1 4.32Å; V493-L498 HydrophobicContact CG1-CD2 4.32Å; V493-L498 HydrophobicContact CG1-CG 4.16Å; I495-L498 WeakPolarHBondContact O-CB 3.26Å; I495-L498 PolarHBondContact O-N 3.42Å; I495-L498 VanDerWaalsContact O-N 3.09Å; L498-I501 WeakPolarHBondContact O-CB 3.4Å; L498-I501 PolarHBondContact O-N 3.49Å; L498-I502 PolarHBondContact O-N 2.72Å; L498-I502 VanDerWaalsContact O-N 3.08Å
499	S	94.2	Very high	90.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.5	-38.4	174.6	-71.9	0	0	0	0	112.9	Q282 N285 I495 F496 I501 I502 I503	Q282-S499 PolarHBondContact OE1-OG 2.78Å; N285-S499 WeakPolarHBondContact CB-OG 3.29Å; N285-S499 PolarHBondContact ND2-OG 3.49Å; N285-S499 VanDerWaalsContact ND2-OG 3.1Å; I495-S499 PolarHBondContact O-N 3.11Å; F496-S499 PolarHBondContact O-N 3.27Å; S499-I501 VanDerWaalsContact C-N 3.33Å; S499-I501 PolarHBondContact O-N 3.12Å; S499-I502 PolarHBondContact O-N 2.86Å; S499-I503 WeakPolarHBondContact O-CG1 3.29Å; S499-I503 PolarHBondContact O-N 3.34Å
500	A	95.6	Very high	90.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60	-42.8	173	0	0	0	0	0	111.9	C325 I326 L329 F496 C497 I502 I503 V504	C325-A500 HydrophobicContact CB-CB 3.9Å; I326-A500 HydrophobicContact CD1-CB 4.45Å; I326-A500 HydrophobicContact CG1-CB 3.54Å; L329-A500 HydrophobicContact CD1-CB 4.29Å; F496-A500 WeakPolarHBondContact O-CB 3.28Å; F496-A500 PolarHBondContact O-N 2.94Å; C497-A500 WeakPolarHBondContact O-CB 3.2Å; C497-A500 PolarHBondContact O-N 2.82Å; A500-I502 VanDerWaalsContact C-N 3.35Å; A500-I502 PolarHBondContact O-N 3.22Å; A500-I503 PolarHBondContact O-N 3.45Å; A500-V504 WeakPolarHBondContact O-CG2 3.3Å; A500-V504 PolarHBondContact O-N 3.48Å; A500-V504 VanDerWaalsContact O-N 3.07Å
501	I	93.1	Very high	91.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-43.7	176.2	-68.1	168.7	0	0	0	110.9	P144 Q145 L329 D351 I354 V355 C497 L498 S499 A505	P144-I501 HydrophobicContact CB-CD1 3.59Å; Q145-I501 HydrophobicContact CG-CG2 4.05Å; L329-I501 HydrophobicContact CD1-CG1 3.87Å; D351-I501 HydrophobicContact CB-CD1 4.47Å; I354-I501 HydrophobicContact CG2-CD1 4.1Å; I354-I501 HydrophobicContact CG2-CG1 4.31Å; V355-I501 HydrophobicContact CG2-CD1 3.71Å; C497-I501 WeakPolarHBondContact O-CG1 3.44Å; C497-I501 PolarHBondContact O-N 3.27Å; C497-I501 VanDerWaalsContact O-N 3.08Å; L498-I501 WeakPolarHBondContact O-CB 3.4Å; L498-I501 PolarHBondContact O-N 3.49Å; S499-I501 VanDerWaalsContact C-N 3.33Å; S499-I501 PolarHBondContact O-N 3.12Å; I501-A505 VanDerWaalsContact O-CB 3.23Å; I501-A505 WeakPolarHBondContact O-CB 3.45Å; I501-A505 PolarHBondContact O-N 3.2Å
502	I	92	Very high	91.5	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-49.9	176.8	-68.9	165.2	0	0	0	111.1	A148 Y149 V152 V278 Q282 L498 S499 A500 V504 A505 I506	A148-I502 HydrophobicContact CB-CD1 3.5Å; A148-I502 VanDerWaalsContact CB-CD1 3.5Å; A148-I502 HydrophobicContact CB-CG1 3.57Å; A148-I502 WeakPolarHBondContact O-CD1 3.45Å; Y149-I502 HydrophobicContact CE1-CG1 4.45Å; V152-I502 HydrophobicContact CG2-CD1 3.58Å; V278-I502 HydrophobicContact CG1-CG2 3.43Å; V278-I502 VanDerWaalsContact CG1-CG2 3.43Å; Q282-I502 HydrophobicContact CG-CB 3.91Å; Q282-I502 HydrophobicContact CG-CD1 4.4Å; Q282-I502 HydrophobicContact CG-CG2 3.59Å; L498-I502 PolarHBondContact O-N 2.72Å; L498-I502 VanDerWaalsContact O-N 3.08Å; S499-I502 PolarHBondContact O-N 2.86Å; A500-I502 VanDerWaalsContact C-N 3.35Å; A500-I502 PolarHBondContact O-N 3.22Å; I502-V504 PolarHBondContact O-N 3.45Å; I502-A505 WeakPolarHBondContact O-CB 3.43Å; I502-A505 PolarHBondContact O-N 3.18Å; I502-I506 HydrophobicContact CG2-CG2 4.15Å; I502-I506 WeakPolarHBondContact O-CG1 3.2Å; I502-I506 PolarHBondContact O-N 3.39Å
503	I	94.2	Very high	91.9	Very high	27 Å²	27	23.5 Å²	23.5	14%	0.138	13%	0.133	C	C	.	.	H	α-helix	trans	-55.1	-44	-178.7	-73.3	169	0	0	0	110.6	F279 Q282 V286 I326 S499 A500 I506	F279-I503 HydrophobicContact CD2-CG1 4.24Å; F279-I503 HydrophobicContact CD2-CG2 4.42Å; F279-I503 HydrophobicContact CE2-CG1 4.37Å; F279-I503 HydrophobicContact CE2-CG2 4.15Å; Q282-I503 HydrophobicContact CB-CD1 3.86Å; Q282-I503 HydrophobicContact CB-CG1 3.75Å; Q282-I503 HydrophobicContact CG-CG1 4.07Å; V286-I503 HydrophobicContact CG2-CD1 3.62Å; I326-I503 HydrophobicContact CD1-CD1 3.94Å; S499-I503 WeakPolarHBondContact O-CG1 3.29Å; S499-I503 PolarHBondContact O-N 3.34Å; A500-I503 PolarHBondContact O-N 3.45Å; I503-I506 VanDerWaalsContact O-CG1 3.28Å; I503-I506 WeakPolarHBondContact O-CG1 3.38Å
504	V	91.8	Very high	91.9	Very high	17 Å²	17	30 Å²	30	10%	0.103	16%	0.161	C	C	.	.	H	α-helix	trans	-73	-34.4	178	178.7	0	0	0	0	111.7	I326 L329 K333 A500 I502 K507	I326-V504 HydrophobicContact CG2-CG2 4.33Å; L329-V504 HydrophobicContact CB-CB 4.41Å; L329-V504 HydrophobicContact CB-CG1 4.29Å; L329-V504 HydrophobicContact CB-CG2 3.89Å; L329-V504 HydrophobicContact CD1-CG2 4.48Å; K333-V504 HydrophobicContact CD-CG1 3.62Å; A500-V504 WeakPolarHBondContact O-CG2 3.3Å; A500-V504 PolarHBondContact O-N 3.48Å; A500-V504 VanDerWaalsContact O-N 3.07Å; I502-V504 PolarHBondContact O-N 3.45Å; V504-K507 VanDerWaalsContact O-CB 3.27Å; V504-K507 WeakPolarHBondContact O-CB 3.14Å; V504-K507 PolarHBondContact O-N 2.95Å
505	A	88.4	Confident	91.8	Very high	20 Å²	20	32.3 Å²	32.3	17%	0.165	17%	0.174	C	C	.	.	H	α-helix	trans	-66.9	-37.8	177.7	0	0	0	0	0	113	I501 I502 K507	I501-A505 VanDerWaalsContact O-CB 3.23Å; I501-A505 WeakPolarHBondContact O-CB 3.45Å; I501-A505 PolarHBondContact O-N 3.2Å; I502-A505 WeakPolarHBondContact O-CB 3.43Å; I502-A505 PolarHBondContact O-N 3.18Å; A505-K507 VanDerWaalsContact C-N 3.26Å; A505-K507 PolarHBondContact O-N 3.18Å
506	I	91.1	Very high	91.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.8	179.5	66	179.9	0	0	0	113.5	V278 F279 I502 I503 G508 M509 F510	V278-I506 HydrophobicContact CB-CD1 4.45Å; V278-I506 HydrophobicContact CB-CG2 4.41Å; V278-I506 HydrophobicContact CG1-CD1 4.28Å; V278-I506 HydrophobicContact CG1-CG2 3.89Å; F279-I506 HydrophobicContact CB-CD1 3.68Å; F279-I506 HydrophobicContact CD2-CD1 4.2Å; F279-I506 HydrophobicContact CG-CD1 4.46Å; I502-I506 HydrophobicContact CG2-CG2 4.15Å; I502-I506 WeakPolarHBondContact O-CG1 3.2Å; I502-I506 PolarHBondContact O-N 3.39Å; I503-I506 VanDerWaalsContact O-CG1 3.28Å; I503-I506 WeakPolarHBondContact O-CG1 3.38Å; I506-G508 PolarHBondContact O-N 2.85Å; I506-M509 HydrophobicContact CB-SD 4.27Å; I506-M509 HydrophobicContact CG2-SD 4.03Å; I506-M509 WeakPolarHBondContact O-CB 3.47Å; I506-M509 PolarHBondContact O-N 3.38Å; I506-F510 HydrophobicContact CD1-CE2 3.87Å; I506-F510 HydrophobicContact CG1-CD2 4.28Å; I506-F510 HydrophobicContact CG1-CE2 4.06Å; I506-F510 PolarHBondContact O-N 3.37Å; I506-F510 VanDerWaalsContact O-N 3.11Å
507	K	90.6	Very high	91.9	Very high	85 Å²	85	36.6 Å²	36.6	37%	0.37	20%	0.2	S	C	.	.	H	α-helix	trans	-50.2	-41.5	172.5	-178.8	-173.7	174	-176.3	0	111.8	D334 V504 A505 M509 F510 M511	D334-K507 IonicContact OD1-NZ 3.12Å; D334-K507 PolarHBondContact OD1-NZ 3.32Å; D334-K507 IonicContact OD2-NZ 3.42Å; D334-K507 PolarHBondContact OD2-NZ 3.33Å; V504-K507 VanDerWaalsContact O-CB 3.27Å; V504-K507 WeakPolarHBondContact O-CB 3.14Å; V504-K507 PolarHBondContact O-N 2.95Å; A505-K507 VanDerWaalsContact C-N 3.26Å; A505-K507 PolarHBondContact O-N 3.18Å; K507-M509 VanDerWaalsContact C-N 3.3Å; K507-M509 PolarHBondContact O-N 3.32Å; K507-F510 PolarHBondContact O-N 2.95Å; K507-M511 VanDerWaalsContact O-CG 3.32Å; K507-M511 WeakPolarHBondContact O-CG 3.45Å; K507-M511 PolarHBondContact O-N 3.19Å; K507-M511 VanDerWaalsContact O-N 3.1Å
508	G	83.9	Confident	91.9	Very high	44 Å²	44	42.4 Å²	42.4	45%	0.454	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-36.9	178	0	0	0	0	0	113.1	I506 M511	I506-G508 PolarHBondContact O-N 2.85Å; G508-M511 PolarHBondContact O-N 3.46Å
509	M	88.5	Confident	91.9	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-69.2	-39.5	176.5	-63.1	169.5	69.2	0	0	111.2	A186 V187 T271 V272 V274 A275 I506 K507 M511 E512	A186-M509 HydrophobicContact CB-SD 4.23Å; V187-M509 HydrophobicContact CG2-CE 4.25Å; T271-M509 HydrophobicContact CG2-CB 3.77Å; T271-M509 HydrophobicContact CG2-CE 3.77Å; T271-M509 HydrophobicContact CG2-CG 3.82Å; T271-M509 WeakPolarHBondContact O-CE 3.49Å; V272-M509 WeakPolarHBondContact CG2-O 3.41Å; V274-M509 HydrophobicContact CB-CE 4.42Å; V274-M509 HydrophobicContact CG1-CE 4.21Å; A275-M509 HydrophobicContact CB-CB 3.78Å; A275-M509 HydrophobicContact CB-CE 4.25Å; I506-M509 HydrophobicContact CB-SD 4.27Å; I506-M509 HydrophobicContact CG2-SD 4.03Å; I506-M509 WeakPolarHBondContact O-CB 3.47Å; I506-M509 PolarHBondContact O-N 3.38Å; K507-M509 VanDerWaalsContact C-N 3.3Å; K507-M509 PolarHBondContact O-N 3.32Å; M509-M511 VanDerWaalsContact C-N 3.26Å; M509-M511 PolarHBondContact O-N 2.77Å; M509-E512 WeakPolarHBondContact O-CB 3.3Å; M509-E512 PolarHBondContact O-N 2.98Å
510	F	93.1	Very high	92	Very high	68 Å²	68	52.3 Å²	52.3	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-28.7	173.9	-81	-66.3	0	0	0	113.4	V272 A275 V276 F279 I506 K507 E512 A513	V272-F510 HydrophobicContact CG1-CD1 4.42Å; A275-F510 HydrophobicContact CB-CD1 4.24Å; A275-F510 HydrophobicContact CB-CD2 4.07Å; A275-F510 HydrophobicContact CB-CE1 4.05Å; A275-F510 HydrophobicContact CB-CE2 3.88Å; A275-F510 HydrophobicContact CB-CG 4.25Å; A275-F510 HydrophobicContact CB-CZ 3.87Å; V276-F510 HydrophobicContact CG2-CE1 3.77Å; V276-F510 HydrophobicContact CG2-CZ 4.22Å; F279-F510 HydrophobicContact CB-CE2 4.14Å; F279-F510 HydrophobicContact CB-CZ 4.05Å; F279-F510 HydrophobicContact CD2-CE2 4.43Å; F279-F510 HydrophobicContact CG-CE2 4.47Å; F279-F510 HydrophobicContact CG-CZ 4.45Å; I506-F510 HydrophobicContact CD1-CE2 3.87Å; I506-F510 HydrophobicContact CG1-CD2 4.28Å; I506-F510 HydrophobicContact CG1-CE2 4.06Å; I506-F510 PolarHBondContact O-N 3.37Å; I506-F510 VanDerWaalsContact O-N 3.11Å; K507-F510 PolarHBondContact O-N 2.95Å; F510-E512 PolarHBondContact O-N 3.19Å; F510-A513 WeakPolarHBondContact O-CB 3.24Å; F510-A513 PolarHBondContact O-N 2.86Å
511	M	89.9	Confident	92	Very high	89 Å²	89	62.5 Å²	62.5	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-66.9	-21.9	178.2	-70.4	-76.5	-78.7	0	0	112.8	K507 G508 M509 A513 K514	K507-M511 VanDerWaalsContact O-CG 3.32Å; K507-M511 WeakPolarHBondContact O-CG 3.45Å; K507-M511 PolarHBondContact O-N 3.19Å; K507-M511 VanDerWaalsContact O-N 3.1Å; G508-M511 PolarHBondContact O-N 3.46Å; M509-M511 VanDerWaalsContact C-N 3.26Å; M509-M511 PolarHBondContact O-N 2.77Å; M511-A513 PolarHBondContact O-N 3.39Å; M511-K514 HydrophobicContact CE-CD 4.34Å; M511-K514 VanDerWaalsContact CE-NZ 3.3Å; M511-K514 WeakPolarHBondContact O-CB 3.38Å; M511-K514 WeakPolarHBondContact O-CG 3.11Å; M511-K514 PolarHBondContact O-N 3.38Å; M511-K514 VanDerWaalsContact O-N 3.09Å; M511-K514 HydrophobicContact SD-CD 4.47Å
512	E	88.9	Confident	92	Very high	47 Å²	47	70.7 Å²	70.7	22%	0.22	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-63.4	-15.9	171.3	-62.8	-176	-162.6	0	0	112.1	S268 T271 V272 M509 F510 K514 D515	S268-E512 PolarHBondContact OG-O 3.44Å; T271-E512 VanDerWaalsContact CB-OE2 3.28Å; T271-E512 WeakPolarHBondContact CB-OE2 3.36Å; T271-E512 WeakPolarHBondContact CG2-OE2 3.44Å; V272-E512 HydrophobicContact CG2-CB 3.88Å; M509-E512 WeakPolarHBondContact O-CB 3.3Å; M509-E512 PolarHBondContact O-N 2.98Å; F510-E512 PolarHBondContact O-N 3.19Å; E512-K514 PolarHBondContact O-N 3.34Å; E512-K514 VanDerWaalsContact O-N 3.13Å; E512-D515 WeakPolarHBondContact O-CB 3.27Å; E512-D515 PolarHBondContact O-N 2.85Å
513	A	93.6	Very high	92	Very high	39 Å²	39	71.3 Å²	71.3	32%	0.322	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-61.3	-21.2	171.3	0	0	0	0	0	113.1	V272 F510 M511 D515 L516 W530	V272-A513 HydrophobicContact CG1-CB 4.21Å; V272-A513 HydrophobicContact CG2-CB 4.21Å; F510-A513 WeakPolarHBondContact O-CB 3.24Å; F510-A513 PolarHBondContact O-N 2.86Å; M511-A513 PolarHBondContact O-N 3.39Å; A513-D515 PolarHBondContact O-N 3.34Å; A513-L516 WeakPolarHBondContact O-CB 3.28Å; A513-L516 PolarHBondContact O-N 2.82Å; A513-W530 HydrophobicContact CB-CZ2 4.46Å
514	K	93.3	Very high	92	Very high	136 Å²	136	73.8 Å²	73.8	59%	0.591	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-68	-23.4	173.3	-63.9	-177	-179.4	-173.3	0	112.4	M511 E512 L516 V517	M511-K514 HydrophobicContact CE-CD 4.34Å; M511-K514 VanDerWaalsContact CE-NZ 3.3Å; M511-K514 WeakPolarHBondContact O-CB 3.38Å; M511-K514 WeakPolarHBondContact O-CG 3.11Å; M511-K514 PolarHBondContact O-N 3.38Å; M511-K514 VanDerWaalsContact O-N 3.09Å; M511-K514 HydrophobicContact SD-CD 4.47Å; E512-K514 PolarHBondContact O-N 3.34Å; E512-K514 VanDerWaalsContact O-N 3.13Å; K514-L516 PolarHBondContact O-N 2.81Å; K514-V517 PolarHBondContact O-N 3.1Å
515	D	90.3	Very high	92.1	Very high	48 Å²	48	77.8 Å²	77.8	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-28.8	178.2	-60.2	-22.5	0	0	0	111.2	S268 E512 A513 V517 M518 F519	S268-D515 PolarHBondContact OG-OD2 3.29Å; E512-D515 WeakPolarHBondContact O-CB 3.27Å; E512-D515 PolarHBondContact O-N 2.85Å; A513-D515 PolarHBondContact O-N 3.34Å; D515-V517 VanDerWaalsContact C-N 3.26Å; D515-V517 PolarHBondContact O-N 3.04Å; D515-M518 CarbonylContact O-C 3.49Å; D515-M518 WeakPolarHBondContact O-CA 2.95Å; D515-M518 WeakPolarHBondContact O-CB 3.35Å; D515-M518 PolarHBondContact O-N 2.81Å; D515-F519 HydrophobicContact CB-CD2 4.16Å; D515-F519 HydrophobicContact CB-CE2 3.52Å; D515-F519 HydrophobicContact CB-CZ 3.82Å; D515-F519 WeakPolarHBondContact O-CD2 3.34Å; D515-F519 VanDerWaalsContact O-CG 3.28Å; D515-F519 WeakPolarHBondContact O-CG 3.19Å; D515-F519 PolarHBondContact O-N 3.41Å
516	L	94.8	Very high	92.4	Very high	36 Å²	36	78.2 Å²	78.2	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-54.6	-42.8	174.5	174.1	61.1	0	0	0	112	A513 K514 M518 F519 W520 W530 M531	A513-L516 WeakPolarHBondContact O-CB 3.28Å; A513-L516 PolarHBondContact O-N 2.82Å; K514-L516 PolarHBondContact O-N 2.81Å; L516-M518 VanDerWaalsContact C-N 3.3Å; L516-M518 PolarHBondContact O-N 3.16Å; L516-F519 PolarHBondContact O-N 2.85Å; L516-W520 WeakPolarHBondContact O-CB 3.49Å; L516-W520 PolarHBondContact O-N 3.28Å; L516-W530 HydrophobicContact CB-CD2 4.02Å; L516-W530 HydrophobicContact CB-CE3 4.03Å; L516-W530 HydrophobicContact CB-CH2 4.26Å; L516-W530 HydrophobicContact CB-CZ2 4.21Å; L516-W530 HydrophobicContact CB-CZ3 4.18Å; L516-W530 HydrophobicContact CD1-CD2 4.02Å; L516-W530 HydrophobicContact CD1-CE3 3.59Å; L516-W530 HydrophobicContact CD1-CG 4.43Å; L516-W530 HydrophobicContact CD1-CZ3 4.21Å; L516-W530 HydrophobicContact CD2-CE3 3.9Å; L516-W530 HydrophobicContact CD2-CH2 4.15Å; L516-W530 HydrophobicContact CD2-CZ3 3.6Å; L516-W530 HydrophobicContact CG-CD2 4.44Å; L516-W530 HydrophobicContact CG-CE3 4.02Å; L516-W530 HydrophobicContact CG-CZ3 4.19Å; L516-M531 HydrophobicContact CD1-CE 4.38Å; L516-M531 HydrophobicContact CD2-CE 3.67Å
517	V	95.2	Very high	92.6	Very high	83 Å²	83	78.3 Å²	78.3	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-66.4	-37.6	179.5	179	0	0	0	0	110.7	K514 D515 R521	K514-V517 PolarHBondContact O-N 3.1Å; D515-V517 VanDerWaalsContact C-N 3.26Å; D515-V517 PolarHBondContact O-N 3.04Å; V517-R521 WeakPolarHBondContact O-CG 3.35Å; V517-R521 PolarHBondContact O-N 3.44Å
518	M	93.9	Very high	92.9	Very high	122 Å²	122	76 Å²	76	60%	0.601	37%	0.373	S	S	*	.	H	α-helix	trans	-65.8	-46.6	175.2	-173.2	-169.1	-60.6	0	0	110.9	D515 L516 W520 R521 F522	D515-M518 CarbonylContact O-C 3.49Å; D515-M518 WeakPolarHBondContact O-CA 2.95Å; D515-M518 WeakPolarHBondContact O-CB 3.35Å; D515-M518 PolarHBondContact O-N 2.81Å; L516-M518 VanDerWaalsContact C-N 3.3Å; L516-M518 PolarHBondContact O-N 3.16Å; M518-W520 VanDerWaalsContact C-N 3.33Å; M518-W520 PolarHBondContact O-N 3.47Å; M518-R521 PolarHBondContact O-N 2.93Å; M518-F522 PolarHBondContact O-N 3.05Å; M518-F522 VanDerWaalsContact O-N 3.15Å
519	F	94.4	Very high	93.5	Very high	26 Å²	26	74 Å²	74	11%	0.114	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-40.7	177.9	-60.6	-37.3	0	0	0	111.3	V264 P265 D515 L516 R521 F522 S523 D526 S527 W530	V264-F519 HydrophobicContact CG1-CZ 4.28Å; P265-F519 HydrophobicContact CB-CD2 4.19Å; P265-F519 HydrophobicContact CB-CE2 4.05Å; P265-F519 HydrophobicContact CB-CZ 4.36Å; P265-F519 HydrophobicContact CG-CD1 4.49Å; P265-F519 HydrophobicContact CG-CE1 4.3Å; P265-F519 HydrophobicContact CG-CE2 4.42Å; P265-F519 HydrophobicContact CG-CZ 4.27Å; D515-F519 HydrophobicContact CB-CD2 4.16Å; D515-F519 HydrophobicContact CB-CE2 3.52Å; D515-F519 HydrophobicContact CB-CZ 3.82Å; D515-F519 WeakPolarHBondContact O-CD2 3.34Å; D515-F519 VanDerWaalsContact O-CG 3.28Å; D515-F519 WeakPolarHBondContact O-CG 3.19Å; D515-F519 PolarHBondContact O-N 3.41Å; L516-F519 PolarHBondContact O-N 2.85Å; F519-R521 VanDerWaalsContact C-N 3.29Å; F519-R521 PolarHBondContact O-N 3.33Å; F519-F522 PolarHBondContact O-N 3.34Å; F519-F522 VanDerWaalsContact O-N 3.09Å; F519-S523 CarbonylContact O-C 3.33Å; F519-S523 PolarHBondContact O-N 3.22Å; F519-D526 HydrophobicContact CB-CB 4.44Å; F519-S527 WeakPolarHBondContact CB-OG 3.31Å; F519-S527 PolarHBondContact O-OG 3.19Å; F519-W530 HydrophobicContact CD2-CB 4.31Å; F519-W530 AromaticContact CD2-CD1 3.86Å; F519-W530 HydrophobicContact CD2-CG 4.24Å; F519-W530 AromaticContact CE2-CD1 3.72Å
520	W	96	Very high	93.9	Very high	182 Å²	182	73.3 Å²	73.3	69%	0.689	35%	0.349	S	S	*	.	H	α-helix	trans	-63.8	-37.5	-178.6	-173.1	-89.7	0	0	0	112.1	L516 M518 S527	L516-W520 WeakPolarHBondContact O-CB 3.49Å; L516-W520 PolarHBondContact O-N 3.28Å; M518-W520 VanDerWaalsContact C-N 3.33Å; M518-W520 PolarHBondContact O-N 3.47Å; W520-S527 WeakPolarHBondContact CA-OG 3.41Å; W520-S527 PolarHBondContact N-OG 2.87Å
521	R	95.4	Very high	94	Very high	214 Å²	214	74.2 Å²	74.2	81%	0.808	36%	0.355	S	S	*	.	H	α-helix	trans	-71.9	-28.6	176	-69.9	176.8	174.9	-173	-1.7	113.2	V517 M518 F519	V517-R521 WeakPolarHBondContact O-CG 3.35Å; V517-R521 PolarHBondContact O-N 3.44Å; M518-R521 PolarHBondContact O-N 2.93Å; F519-R521 VanDerWaalsContact C-N 3.29Å; F519-R521 PolarHBondContact O-N 3.33Å
522	F	92.7	Very high	94.4	Very high	173 Å²	173	73.7 Å²	73.7	76%	0.759	35%	0.351	S	S	*	.	H	α-helix	trans	-90.5	-52.8	-177.4	-171.7	-96.8	0	0	0	112.7	M518 F519	M518-F522 PolarHBondContact O-N 3.05Å; M518-F522 VanDerWaalsContact O-N 3.15Å; F519-F522 PolarHBondContact O-N 3.34Å; F519-F522 VanDerWaalsContact O-N 3.09Å
523	S	92.3	Very high	94.7	Very high	17 Å²	17	71.5 Å²	71.5	12%	0.119	34%	0.34	C	S	.	.			trans	-150.9	128.9	175.2	-162.6	0	0	0	0	113.3	F519 W525 D526 S527 R560	F519-S523 CarbonylContact O-C 3.33Å; F519-S523 PolarHBondContact O-N 3.22Å; S523-W525 PolarHBondContact O-N 3.15Å; S523-D526 WeakPolarHBondContact CB-OD2 3.37Å; S523-D526 PolarHBondContact O-N 3.37Å; S523-S527 PolarHBondContact O-N 3.25Å; S523-S527 PolarHBondContact O-OG 2.79Å; S523-S527 VanDerWaalsContact O-OG 3.12Å; S523-R560 PolarHBondContact OG-NH2 3.12Å
524	P	94.1	Very high	94.9	Very high	79 Å²	79	72 Å²	72	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-32.1	176.9	25.3	-34.3	0	0	0	112.2	S527 A528	P524-S527 WeakPolarHBondContact O-CB 3.38Å; P524-S527 PolarHBondContact O-N 2.88Å; P524-A528 PolarHBondContact O-N 3.11Å
525	W	93.3	Very high	95	Very high	100 Å²	100	69.7 Å²	69.7	38%	0.379	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-42.3	178	-64.9	109.9	0	0	0	113.1	S523 S527 A528 V529 V556 L559 W563	S523-W525 PolarHBondContact O-N 3.15Å; W525-S527 PolarHBondContact O-N 3.47Å; W525-A528 WeakPolarHBondContact O-CB 3.49Å; W525-A528 PolarHBondContact O-N 3.31Å; W525-V529 WeakPolarHBondContact O-CG2 3.15Å; W525-V529 PolarHBondContact O-N 2.87Å; W525-V529 VanDerWaalsContact O-N 3.09Å; W525-V556 HydrophobicContact CB-CG1 3.75Å; W525-V556 HydrophobicContact CE3-CG1 4.47Å; W525-V556 HydrophobicContact CE3-CG2 4.27Å; W525-V556 HydrophobicContact CG-CG1 4.39Å; W525-L559 HydrophobicContact CZ3-CD1 4.2Å; W525-W563 HydrophobicContact CH2-CZ3 4.29Å; W525-W563 HydrophobicContact CZ2-CZ3 4.27Å
526	D	94.7	Very high	95.3	Very high	30 Å²	30	68 Å²	68	16%	0.16	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-34.2	178.2	-63.1	-27.2	0	0	0	110.3	P265 F519 S523 V529 W530 R560	P265-D526 HydrophobicContact CB-CB 4.43Å; P265-D526 WeakPolarHBondContact CB-O 3.27Å; P265-D526 HydrophobicContact CG-CB 3.87Å; F519-D526 HydrophobicContact CB-CB 4.44Å; S523-D526 WeakPolarHBondContact CB-OD2 3.37Å; S523-D526 PolarHBondContact O-N 3.37Å; D526-V529 PolarHBondContact O-N 3.41Å; D526-W530 PolarHBondContact O-N 2.77Å; D526-R560 IonicContact OD1-CZ 2.62Å; D526-R560 IonicContact OD1-NH1 3.91Å; D526-R560 PolarHBondContact OD1-NH1 2.85Å; D526-R560 IonicContact OD1-NH2 2.68Å; D526-R560 PolarHBondContact OD1-NH2 3.46Å; D526-R560 IonicContact OD2-NH1 3.02Å; D526-R560 IonicContact OD2-NH2 3.67Å; D526-R560 PolarHBondContact OD2-NH2 2.79Å
527	S	96.3	Very high	95.2	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.007	31%	0.312	C	S	.	.	H	α-helix	trans	-69.3	-36.4	174.2	-50.9	0	0	0	0	112.9	F519 W520 S523 P524 W525 W530 M531	F519-S527 WeakPolarHBondContact CB-OG 3.31Å; F519-S527 PolarHBondContact O-OG 3.19Å; W520-S527 WeakPolarHBondContact CA-OG 3.41Å; W520-S527 PolarHBondContact N-OG 2.87Å; S523-S527 PolarHBondContact O-N 3.25Å; S523-S527 PolarHBondContact O-OG 2.79Å; S523-S527 VanDerWaalsContact O-OG 3.12Å; P524-S527 WeakPolarHBondContact O-CB 3.38Å; P524-S527 PolarHBondContact O-N 2.88Å; W525-S527 PolarHBondContact O-N 3.47Å; S527-W530 PolarHBondContact O-N 3.38Å; S527-M531 WeakPolarHBondContact O-CB 3.45Å; S527-M531 PolarHBondContact O-N 2.97Å
528	A	95.8	Very high	95.1	Very high	36 Å²	36	63.2 Å²	63.2	30%	0.298	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-43.6	174.2	0	0	0	0	0	110.9	P524 W525 W530 M531 F532 M552	P524-A528 PolarHBondContact O-N 3.11Å; W525-A528 WeakPolarHBondContact O-CB 3.49Å; W525-A528 PolarHBondContact O-N 3.31Å; A528-W530 PolarHBondContact O-N 2.98Å; A528-M531 PolarHBondContact O-N 2.84Å; A528-F532 WeakPolarHBondContact O-CB 3.39Å; A528-F532 PolarHBondContact O-N 2.88Å; A528-M552 HydrophobicContact CB-CE 4.4Å
529	V	96.3	Very high	95.1	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.024	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-46.7	174	175.9	0	0	0	0	110.8	P265 M266 W525 D526 T533 M552 S553 V556	P265-V529 HydrophobicContact CB-CG1 4.49Å; M266-V529 HydrophobicContact CB-CG1 3.93Å; W525-V529 WeakPolarHBondContact O-CG2 3.15Å; W525-V529 PolarHBondContact O-N 2.87Å; W525-V529 VanDerWaalsContact O-N 3.09Å; D526-V529 PolarHBondContact O-N 3.41Å; V529-T533 VanDerWaalsContact O-CB 3.3Å; V529-T533 WeakPolarHBondContact O-CB 3.44Å; V529-T533 PolarHBondContact O-N 3.06Å; V529-T533 PolarHBondContact O-OG1 2.92Å; V529-M552 HydrophobicContact CG2-CG 4.24Å; V529-S553 VanDerWaalsContact CG1-OG 3.25Å; V529-S553 WeakPolarHBondContact CG1-OG 3.22Å; V529-V556 HydrophobicContact CG2-CB 3.99Å; V529-V556 HydrophobicContact CG2-CG1 4.28Å; V529-V556 HydrophobicContact CG2-CG2 3.68Å
530	W	96.9	Very high	94.9	Very high	9 Å²	9	61.2 Å²	61.2	3%	0.034	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-52.4	178.1	-173.8	99.1	0	0	0	111.4	P265 S268 G269 V272 A513 L516 F519 D526 S527 A528 F532 T533 F534	P265-W530 HydrophobicContact CB-CB 4.28Å; S268-W530 PolarHBondContact OG-NE1 3.47Å; G269-W530 VanDerWaalsContact N-CD1 3.31Å; V272-W530 HydrophobicContact CB-CZ2 4.35Å; V272-W530 HydrophobicContact CG2-CZ2 4.16Å; A513-W530 HydrophobicContact CB-CZ2 4.46Å; L516-W530 HydrophobicContact CB-CD2 4.02Å; L516-W530 HydrophobicContact CB-CE3 4.03Å; L516-W530 HydrophobicContact CB-CH2 4.26Å; L516-W530 HydrophobicContact CB-CZ2 4.21Å; L516-W530 HydrophobicContact CB-CZ3 4.18Å; L516-W530 HydrophobicContact CD1-CD2 4.02Å; L516-W530 HydrophobicContact CD1-CE3 3.59Å; L516-W530 HydrophobicContact CD1-CG 4.43Å; L516-W530 HydrophobicContact CD1-CZ3 4.21Å; L516-W530 HydrophobicContact CD2-CE3 3.9Å; L516-W530 HydrophobicContact CD2-CH2 4.15Å; L516-W530 HydrophobicContact CD2-CZ3 3.6Å; L516-W530 HydrophobicContact CG-CD2 4.44Å; L516-W530 HydrophobicContact CG-CE3 4.02Å; L516-W530 HydrophobicContact CG-CZ3 4.19Å; F519-W530 HydrophobicContact CD2-CB 4.31Å; F519-W530 AromaticContact CD2-CD1 3.86Å; F519-W530 HydrophobicContact CD2-CG 4.24Å; F519-W530 AromaticContact CE2-CD1 3.72Å; D526-W530 PolarHBondContact O-N 2.77Å; S527-W530 PolarHBondContact O-N 3.38Å; A528-W530 PolarHBondContact O-N 2.98Å; W530-F532 PolarHBondContact O-N 2.65Å; W530-T533 PolarHBondContact O-N 2.95Å; W530-F534 HydrophobicContact CE3-CB 4.28Å; W530-F534 HydrophobicContact CH2-CB 4.25Å; W530-F534 HydrophobicContact CH2-CD1 4.36Å; W530-F534 HydrophobicContact CH2-CD2 4.4Å; W530-F534 HydrophobicContact CH2-CG 4.07Å; W530-F534 HydrophobicContact CZ3-CB 3.99Å; W530-F534 HydrophobicContact CZ3-CD1 4.13Å; W530-F534 HydrophobicContact CZ3-CG 4.07Å; W530-F534 WeakPolarHBondContact O-CB 3.27Å; W530-F534 PolarHBondContact O-N 3.5Å
531	M	96.8	Very high	94.5	Very high	88 Å²	88	53.1 Å²	53.1	43%	0.433	26%	0.257	S	S	.	.	H	α-helix	trans	-65.1	-43.5	-175.7	-174	62.7	70.6	0	0	111.6	L516 S527 A528 F534 L535	L516-M531 HydrophobicContact CD1-CE 4.38Å; L516-M531 HydrophobicContact CD2-CE 3.67Å; S527-M531 WeakPolarHBondContact O-CB 3.45Å; S527-M531 PolarHBondContact O-N 2.97Å; A528-M531 PolarHBondContact O-N 2.84Å; M531-F534 PolarHBondContact O-N 3.47Å; M531-F534 HydrophobicContact SD-CD1 4.43Å; M531-L535 VanDerWaalsContact O-CB 3.3Å; M531-L535 WeakPolarHBondContact O-CB 3.37Å; M531-L535 PolarHBondContact O-N 2.88Å
532	F	97	Very high	94.1	Very high	78 Å²	78	43 Å²	43	34%	0.342	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-47.8	177.2	-178	-100.5	0	0	0	111.2	A528 W530 F534 L535 C536 L548 M552	A528-F532 WeakPolarHBondContact O-CB 3.39Å; A528-F532 PolarHBondContact O-N 2.88Å; W530-F532 PolarHBondContact O-N 2.65Å; F532-F534 PolarHBondContact O-N 3.19Å; F532-L535 PolarHBondContact O-N 3.06Å; F532-C536 WeakPolarHBondContact O-CB 3.32Å; F532-C536 PolarHBondContact O-N 2.58Å; F532-C536 PolarHBondContact O-SG 3.3Å; F532-L548 HydrophobicContact CE1-CB 3.78Å; F532-L548 WeakPolarHBondContact CE1-O 3.28Å; F532-L548 HydrophobicContact CZ-CB 4.23Å; F532-M552 HydrophobicContact CB-CG 4.22Å; F532-M552 HydrophobicContact CD1-CB 3.49Å; F532-M552 VanDerWaalsContact CD1-CB 3.49Å; F532-M552 HydrophobicContact CD1-CG 3.64Å; F532-M552 HydrophobicContact CD1-SD 4.47Å; F532-M552 HydrophobicContact CE1-CB 3.73Å; F532-M552 HydrophobicContact CE1-CG 4.21Å; F532-M552 HydrophobicContact CG-CB 4.38Å; F532-M552 HydrophobicContact CG-CG 4.04Å
533	T	96	Very high	93.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-45.1	178.9	-53.5	0	0	0	0	111.2	M266 F270 V529 W530 T537 G549	M266-T533 HydrophobicContact CG-CG2 3.87Å; M266-T533 WeakPolarHBondContact O-CG2 3.5Å; F270-T533 HydrophobicContact CB-CG2 3.79Å; V529-T533 VanDerWaalsContact O-CB 3.3Å; V529-T533 WeakPolarHBondContact O-CB 3.44Å; V529-T533 PolarHBondContact O-N 3.06Å; V529-T533 PolarHBondContact O-OG1 2.92Å; W530-T533 PolarHBondContact O-N 2.95Å; T533-T537 VanDerWaalsContact O-CB 3.32Å; T533-T537 WeakPolarHBondContact O-CB 3.41Å; T533-T537 PolarHBondContact O-N 2.94Å; T533-T537 PolarHBondContact O-OG1 3.08Å; T533-G549 VanDerWaalsContact OG1-CA 3.3Å; T533-G549 WeakPolarHBondContact OG1-CA 3.26Å
534	F	96.7	Very high	93.5	Very high	49 Å²	49	40.7 Å²	40.7	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-51.2	176.7	169.5	-107.4	0	0	0	111.5	V272 V276 W530 M531 F532 T537 V538	V272-F534 HydrophobicContact CB-CD2 4.23Å; V272-F534 HydrophobicContact CB-CE2 4.49Å; V272-F534 HydrophobicContact CG1-CD2 3.98Å; V272-F534 HydrophobicContact CG1-CE2 3.78Å; V276-F534 HydrophobicContact CG2-CE2 4.22Å; W530-F534 HydrophobicContact CE3-CB 4.28Å; W530-F534 HydrophobicContact CH2-CB 4.25Å; W530-F534 HydrophobicContact CH2-CD1 4.36Å; W530-F534 HydrophobicContact CH2-CD2 4.4Å; W530-F534 HydrophobicContact CH2-CG 4.07Å; W530-F534 HydrophobicContact CZ3-CB 3.99Å; W530-F534 HydrophobicContact CZ3-CD1 4.13Å; W530-F534 HydrophobicContact CZ3-CG 4.07Å; W530-F534 WeakPolarHBondContact O-CB 3.27Å; W530-F534 PolarHBondContact O-N 3.5Å; M531-F534 PolarHBondContact O-N 3.47Å; M531-F534 HydrophobicContact SD-CD1 4.43Å; F532-F534 PolarHBondContact O-N 3.19Å; F534-T537 PolarHBondContact O-N 3.2Å; F534-V538 HydrophobicContact CD2-CG2 4.05Å; F534-V538 HydrophobicContact CE2-CG2 3.61Å; F534-V538 HydrophobicContact CZ-CG2 3.9Å; F534-V538 WeakPolarHBondContact O-CG2 3.44Å; F534-V538 PolarHBondContact O-N 2.75Å
535	L	96.6	Very high	93.3	Very high	89 Å²	89	36.9 Å²	36.9	47%	0.466	18%	0.18	S	C	.	.	H	α-helix	trans	-64.6	-44.4	-177.4	-170.4	65.4	0	0	0	111.9	M531 F532 T537 V538 L539	M531-L535 VanDerWaalsContact O-CB 3.3Å; M531-L535 WeakPolarHBondContact O-CB 3.37Å; M531-L535 PolarHBondContact O-N 2.88Å; F532-L535 PolarHBondContact O-N 3.06Å; L535-T537 VanDerWaalsContact C-N 3.32Å; L535-T537 PolarHBondContact O-N 3.07Å; L535-V538 PolarHBondContact O-N 3.14Å; L535-L539 HydrophobicContact CD1-CD1 3.53Å; L535-L539 HydrophobicContact CD1-CG 3.94Å; L535-L539 HydrophobicContact CD2-CD1 4.49Å; L535-L539 HydrophobicContact CG-CD1 3.8Å; L535-L539 HydrophobicContact CG-CG 4.35Å; L535-L539 WeakPolarHBondContact O-CB 3.4Å; L535-L539 WeakPolarHBondContact O-CG 3.04Å; L535-L539 PolarHBondContact O-N 2.95Å
536	C	95.6	Very high	92.9	Very high	12 Å²	12	32.6 Å²	32.6	8%	0.081	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-40.4	175	-71.8	0	0	0	0	111.9	F532 L540 S541 L548	F532-C536 WeakPolarHBondContact O-CB 3.32Å; F532-C536 PolarHBondContact O-N 2.58Å; F532-C536 PolarHBondContact O-SG 3.3Å; C536-L540 HydrophobicContact CB-CD1 4.32Å; C536-L540 WeakPolarHBondContact O-CA 3.02Å; C536-L540 VanDerWaalsContact O-CB 3.29Å; C536-L540 WeakPolarHBondContact O-CB 3.34Å; C536-L540 PolarHBondContact O-N 3.47Å; C536-S541 PolarHBondContact O-N 2.82Å; C536-L548 HydrophobicContact CB-CB 4.48Å; C536-L548 HydrophobicContact CB-CD1 4.23Å
537	T	92.8	Very high	92.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-46.7	177.8	-55.8	0	0	0	0	111.1	F270 V274 H277 T533 F534 L535 S541 G545	F270-T537 HydrophobicContact CD2-CG2 4.12Å; F270-T537 HydrophobicContact CE2-CG2 4.28Å; V274-T537 HydrophobicContact CG2-CG2 4.19Å; H277-T537 PolarHBondContact NE2-O 3.46Å; T533-T537 VanDerWaalsContact O-CB 3.32Å; T533-T537 WeakPolarHBondContact O-CB 3.41Å; T533-T537 PolarHBondContact O-N 2.94Å; T533-T537 PolarHBondContact O-OG1 3.08Å; F534-T537 PolarHBondContact O-N 3.2Å; L535-T537 VanDerWaalsContact C-N 3.32Å; L535-T537 PolarHBondContact O-N 3.07Å; T537-S541 CarbonylContact O-C 3.42Å; T537-G545 WeakPolarHBondContact OG1-CA 3.17Å
538	V	94.5	Very high	92.4	Very high	19 Å²	19	37.9 Å²	37.9	12%	0.115	19%	0.192	C	C	.	.	H	α-helix	trans	-70.8	-43	-177.6	173.6	0	0	0	0	112.3	V276 F534 L535	V276-V538 HydrophobicContact CB-CG2 4.2Å; V276-V538 HydrophobicContact CG1-CG1 4.35Å; V276-V538 HydrophobicContact CG1-CG2 4.35Å; V276-V538 HydrophobicContact CG2-CG2 4.26Å; F534-V538 HydrophobicContact CD2-CG2 4.05Å; F534-V538 HydrophobicContact CE2-CG2 3.61Å; F534-V538 HydrophobicContact CZ-CG2 3.9Å; F534-V538 WeakPolarHBondContact O-CG2 3.44Å; F534-V538 PolarHBondContact O-N 2.75Å; L535-V538 PolarHBondContact O-N 3.14Å
539	L	93.8	Very high	92.2	Very high	56 Å²	56	36.2 Å²	36.2	29%	0.293	18%	0.178	S	C	.	.	H	α-helix	trans	-88.8	-43	-173.1	-63.7	-176.1	0	0	0	113.9	F298 P301 L535	F298-L539 WeakPolarHBondContact CA-O 3.45Å; F298-L539 HydrophobicContact CD1-CB 4.3Å; F298-L539 HydrophobicContact CD1-CD2 4.48Å; F298-L539 HydrophobicContact CE1-CB 4.12Å; F298-L539 PolarHBondContact N-O 3.41Å; P301-L539 HydrophobicContact CG-CD2 4.45Å; L535-L539 HydrophobicContact CD1-CD1 3.53Å; L535-L539 HydrophobicContact CD1-CG 3.94Å; L535-L539 HydrophobicContact CD2-CD1 4.49Å; L535-L539 HydrophobicContact CG-CD1 3.8Å; L535-L539 HydrophobicContact CG-CG 4.35Å; L535-L539 WeakPolarHBondContact O-CB 3.4Å; L535-L539 WeakPolarHBondContact O-CG 3.04Å; L535-L539 PolarHBondContact O-N 2.95Å
540	L	90.5	Very high	92	Very high	49 Å²	49	37.8 Å²	37.8	26%	0.257	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-57.5	-172.7	-58	176.6	0	0	0	110.8	L297 C536 Y544 L548	L297-L540 WeakPolarHBondContact CA-O 3.39Å; L297-L540 HydrophobicContact CD2-CB 4.11Å; L297-L540 HydrophobicContact CD2-CD2 4.33Å; L297-L540 WeakPolarHBondContact CD2-O 3.25Å; C536-L540 HydrophobicContact CB-CD1 4.32Å; C536-L540 WeakPolarHBondContact O-CA 3.02Å; C536-L540 VanDerWaalsContact O-CB 3.29Å; C536-L540 WeakPolarHBondContact O-CB 3.34Å; C536-L540 PolarHBondContact O-N 3.47Å; L540-Y544 HydrophobicContact CB-CD2 4.13Å; L540-Y544 HydrophobicContact CB-CG 4.35Å; L540-L548 HydrophobicContact CD1-CD1 3.6Å
541	S	87	Confident	91.9	Very high	13 Å²	13	42 Å²	42	9%	0.091	21%	0.209	C	C	.	.			trans	165.7	172.9	168.6	62.4	0	0	0	0	108.2	C536 T537 N543 Y544 G545	C536-S541 PolarHBondContact O-N 2.82Å; T537-S541 CarbonylContact O-C 3.42Å; S541-N543 VanDerWaalsContact C-N 3.3Å; S541-N543 PolarHBondContact O-N 2.95Å; S541-N543 PolarHBondContact OG-N 2.99Å; S541-Y544 PolarHBondContact O-N 3.11Å; S541-Y544 WeakPolarHBondContact OG-CD2 3.24Å; S541-Y544 PolarHBondContact OG-N 2.85Å; S541-G545 PolarHBondContact O-N 2.58Å
542	V	85.8	Confident	91.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-42.5	174	-174.5	0	0	0	0	112	L190 L191 F270 V274 G545 L546	L190-V542 HydrophobicContact CD2-CG2 3.59Å; L190-V542 HydrophobicContact CG-CG2 4.37Å; L191-V542 HydrophobicContact CD2-CB 3.96Å; L191-V542 HydrophobicContact CD2-CG1 3.54Å; L191-V542 HydrophobicContact CG-CG1 4.19Å; F270-V542 HydrophobicContact CE2-CG1 3.63Å; F270-V542 WeakPolarHBondContact CE2-O 3.03Å; F270-V542 HydrophobicContact CZ-CG1 3.49Å; F270-V542 VanDerWaalsContact CZ-CG1 3.49Å; V274-V542 HydrophobicContact CG2-CG1 3.79Å; V274-V542 HydrophobicContact CG2-CG2 4.26Å; V542-G545 PolarHBondContact O-N 2.75Å; V542-L546 PolarHBondContact O-N 3.28Å
543	N	84.9	Confident	91.6	Very high	25 Å²	25	37 Å²	37	13%	0.134	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-48.2	-178.5	-72.9	-10.1	0	0	0	112	L191 D400 I403 S541 L547	L191-N543 WeakPolarHBondContact CD2-OD1 3.48Å; D400-N543 PolarHBondContact OD1-ND2 2.79Å; I403-N543 HydrophobicContact CD1-CB 4.16Å; S541-N543 VanDerWaalsContact C-N 3.3Å; S541-N543 PolarHBondContact O-N 2.95Å; S541-N543 PolarHBondContact OG-N 2.99Å; N543-L547 PolarHBondContact O-N 2.87Å
544	Y	88.4	Confident	91.5	Very high	117 Å²	117	39.6 Å²	39.6	46%	0.459	20%	0.202	S	C	.	.	H	α-helix	trans	-72.3	-36	179.1	-63.7	-61.5	0	0	0	112.3	L297 L540 S541 L546 L547 L548	L297-Y544 HydrophobicContact CD2-CD2 3.66Å; L297-Y544 HydrophobicContact CD2-CE2 3.5Å; L540-Y544 HydrophobicContact CB-CD2 4.13Å; L540-Y544 HydrophobicContact CB-CG 4.35Å; S541-Y544 PolarHBondContact O-N 3.11Å; S541-Y544 WeakPolarHBondContact OG-CD2 3.24Å; S541-Y544 PolarHBondContact OG-N 2.85Å; Y544-L546 VanDerWaalsContact C-N 3.31Å; Y544-L546 PolarHBondContact O-N 2.85Å; Y544-L547 PolarHBondContact O-N 2.95Å; Y544-L548 VanDerWaalsContact O-CB 3.3Å; Y544-L548 WeakPolarHBondContact O-CB 3.08Å; Y544-L548 WeakPolarHBondContact O-CG 2.87Å; Y544-L548 PolarHBondContact O-N 2.92Å
545	G	89.1	Confident	91.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54.1	-46.2	176.5	0	0	0	0	0	112.7	T537 S541 V542 G549	T537-G545 WeakPolarHBondContact OG1-CA 3.17Å; S541-G545 PolarHBondContact O-N 2.58Å; V542-G545 PolarHBondContact O-N 2.75Å; G545-G549 PolarHBondContact O-N 3.32Å
546	L	85.4	Confident	91.2	Very high	9 Å²	9	34.5 Å²	34.5	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-54.9	175.4	-179.5	72.8	0	0	0	111.8	F262 M266 F270 I407 V542 Y544 L548 G549 I550	F262-L546 HydrophobicContact CD1-CD1 4.36Å; F262-L546 HydrophobicContact CE1-CD1 3.67Å; F262-L546 HydrophobicContact CE1-CD2 4.29Å; F262-L546 HydrophobicContact CZ-CD1 4.23Å; F262-L546 HydrophobicContact CZ-CD2 4.29Å; M266-L546 HydrophobicContact CE-CD1 3.8Å; F270-L546 HydrophobicContact CD2-CB 4.24Å; F270-L546 HydrophobicContact CE2-CB 3.85Å; F270-L546 HydrophobicContact CZ-CB 4.35Å; I407-L546 HydrophobicContact CD1-CB 4.3Å; I407-L546 HydrophobicContact CD1-CD2 3.65Å; I407-L546 HydrophobicContact CD1-CG 4.45Å; I407-L546 HydrophobicContact CG1-CD1 4.5Å; I407-L546 HydrophobicContact CG1-CD2 3.29Å; I407-L546 HydrophobicContact CG1-CG 4.3Å; V542-L546 PolarHBondContact O-N 3.28Å; Y544-L546 VanDerWaalsContact C-N 3.31Å; Y544-L546 PolarHBondContact O-N 2.85Å; L546-L548 VanDerWaalsContact C-N 3.33Å; L546-L548 PolarHBondContact O-N 2.85Å; L546-G549 PolarHBondContact O-N 3.44Å; L546-G549 VanDerWaalsContact O-N 3.1Å; L546-I550 HydrophobicContact CD1-CD1 4.16Å; L546-I550 HydrophobicContact CD1-CG1 4.36Å; L546-I550 HydrophobicContact CD2-CD1 4.26Å; L546-I550 HydrophobicContact CG-CD1 3.95Å; L546-I550 HydrophobicContact CG-CG1 4.46Å; L546-I550 WeakPolarHBondContact O-CG1 3.33Å; L546-I550 PolarHBondContact O-N 3.26Å
547	L	87.4	Confident	90.9	Very high	94 Å²	94	37.8 Å²	37.8	49%	0.492	20%	0.203	S	C	.	.	H	α-helix	trans	-57.3	-49.1	-172.6	176.7	62	0	0	0	111	N543 Y544 G549 I550 I551	N543-L547 PolarHBondContact O-N 2.87Å; Y544-L547 PolarHBondContact O-N 2.95Å; L547-G549 VanDerWaalsContact C-N 3.34Å; L547-I550 PolarHBondContact O-N 3.16Å; L547-I551 HydrophobicContact CD1-CD1 4.2Å; L547-I551 HydrophobicContact CG-CD1 4.1Å; L547-I551 WeakPolarHBondContact O-CG1 3.37Å; L547-I551 PolarHBondContact O-N 2.86Å; L547-I551 VanDerWaalsContact O-N 3.13Å
548	L	93.4	Very high	90.9	Very high	49 Å²	49	41.2 Å²	41.2	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-67.6	-34.9	178.3	-65.4	175.2	0	0	0	111.5	F532 C536 L540 Y544 L546 I550 I551 M552	F532-L548 HydrophobicContact CE1-CB 3.78Å; F532-L548 WeakPolarHBondContact CE1-O 3.28Å; F532-L548 HydrophobicContact CZ-CB 4.23Å; C536-L548 HydrophobicContact CB-CB 4.48Å; C536-L548 HydrophobicContact CB-CD1 4.23Å; L540-L548 HydrophobicContact CD1-CD1 3.6Å; Y544-L548 VanDerWaalsContact O-CB 3.3Å; Y544-L548 WeakPolarHBondContact O-CB 3.08Å; Y544-L548 WeakPolarHBondContact O-CG 2.87Å; Y544-L548 PolarHBondContact O-N 2.92Å; L546-L548 VanDerWaalsContact C-N 3.33Å; L546-L548 PolarHBondContact O-N 2.85Å; L548-I550 PolarHBondContact O-N 2.73Å; L548-I551 HydrophobicContact CD2-CD1 4.44Å; L548-I551 PolarHBondContact O-N 3.39Å; L548-M552 WeakPolarHBondContact O-CB 3.25Å; L548-M552 PolarHBondContact O-N 2.84Å
549	G	92.4	Very high	90.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-39.4	174.9	0	0	0	0	0	113.8	M266 T533 G545 L546 L547 S553	M266-G549 VanDerWaalsContact SD-C 3.51Å; T533-G549 VanDerWaalsContact OG1-CA 3.3Å; T533-G549 WeakPolarHBondContact OG1-CA 3.26Å; G545-G549 PolarHBondContact O-N 3.32Å; L546-G549 PolarHBondContact O-N 3.44Å; L546-G549 VanDerWaalsContact O-N 3.1Å; L547-G549 VanDerWaalsContact C-N 3.34Å; G549-S553 WeakPolarHBondContact O-CB 3.44Å; G549-S553 PolarHBondContact O-N 3.31Å; G549-S553 PolarHBondContact O-OG 2.67Å
550	I	91.2	Very high	90.4	Very high	37 Å²	37	44.8 Å²	44.8	19%	0.19	23%	0.233	C	C	.	.	H	α-helix	trans	-66.5	-47.2	174.4	-64.4	168.5	0	0	0	109.9	F262 M266 L546 L547 L548 M552 S553 V554	F262-I550 HydrophobicContact CD2-CD1 4.44Å; F262-I550 HydrophobicContact CE1-CD1 4.26Å; F262-I550 HydrophobicContact CE2-CD1 3.61Å; F262-I550 HydrophobicContact CE2-CG1 4.28Å; F262-I550 HydrophobicContact CZ-CD1 3.47Å; F262-I550 VanDerWaalsContact CZ-CD1 3.47Å; F262-I550 HydrophobicContact CZ-CG1 4.32Å; M266-I550 HydrophobicContact CE-CG1 4.06Å; M266-I550 HydrophobicContact SD-CB 4.21Å; M266-I550 HydrophobicContact SD-CG1 3.47Å; M266-I550 WeakPolarHBondContact SD-CG1 3.35Å; M266-I550 PolarHBondContact SD-N 3.47Å; M266-I550 VanDerWaalsContact SD-N 3.45Å; L546-I550 HydrophobicContact CD1-CD1 4.16Å; L546-I550 HydrophobicContact CD1-CG1 4.36Å; L546-I550 HydrophobicContact CD2-CD1 4.26Å; L546-I550 HydrophobicContact CG-CD1 3.95Å; L546-I550 HydrophobicContact CG-CG1 4.46Å; L546-I550 WeakPolarHBondContact O-CG1 3.33Å; L546-I550 PolarHBondContact O-N 3.26Å; L547-I550 PolarHBondContact O-N 3.16Å; L548-I550 PolarHBondContact O-N 2.73Å; I550-M552 VanDerWaalsContact C-N 3.31Å; I550-M552 PolarHBondContact O-N 3Å; I550-S553 WeakPolarHBondContact O-CB 3.2Å; I550-S553 PolarHBondContact O-N 3.4Å; I550-V554 HydrophobicContact CG2-CG2 4.49Å; I550-V554 WeakPolarHBondContact O-CG2 3.33Å; I550-V554 PolarHBondContact O-N 3.46Å
551	I	94.4	Very high	90.3	Very high	99 Å²	99	46 Å²	46	51%	0.508	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-45.5	178.7	-67.7	165.9	0	0	0	110.4	L547 L548 V554 G555	L547-I551 HydrophobicContact CD1-CD1 4.2Å; L547-I551 HydrophobicContact CG-CD1 4.1Å; L547-I551 WeakPolarHBondContact O-CG1 3.37Å; L547-I551 PolarHBondContact O-N 2.86Å; L547-I551 VanDerWaalsContact O-N 3.13Å; L548-I551 HydrophobicContact CD2-CD1 4.44Å; L548-I551 PolarHBondContact O-N 3.39Å; I551-V554 PolarHBondContact O-N 2.86Å; I551-G555 PolarHBondContact O-N 3.36Å
552	M	94.9	Very high	90.4	Very high	52 Å²	52	47.5 Å²	47.5	26%	0.256	24%	0.244	S	C	.	.	H	α-helix	trans	-65.2	-40.3	177.6	-172.8	60.4	-176.6	0	0	112.2	A528 V529 F532 L548 I550 V554 G555 V556	A528-M552 HydrophobicContact CB-CE 4.4Å; V529-M552 HydrophobicContact CG2-CG 4.24Å; F532-M552 HydrophobicContact CB-CG 4.22Å; F532-M552 HydrophobicContact CD1-CB 3.49Å; F532-M552 VanDerWaalsContact CD1-CB 3.49Å; F532-M552 HydrophobicContact CD1-CG 3.64Å; F532-M552 HydrophobicContact CD1-SD 4.47Å; F532-M552 HydrophobicContact CE1-CB 3.73Å; F532-M552 HydrophobicContact CE1-CG 4.21Å; F532-M552 HydrophobicContact CG-CB 4.38Å; F532-M552 HydrophobicContact CG-CG 4.04Å; L548-M552 WeakPolarHBondContact O-CB 3.25Å; L548-M552 PolarHBondContact O-N 2.84Å; I550-M552 VanDerWaalsContact C-N 3.31Å; I550-M552 PolarHBondContact O-N 3Å; M552-V554 PolarHBondContact O-N 3.04Å; M552-G555 PolarHBondContact O-N 3.03Å; M552-V556 HydrophobicContact CE-CG2 3.78Å; M552-V556 WeakPolarHBondContact O-CB 3.43Å; M552-V556 WeakPolarHBondContact O-CG2 3.35Å; M552-V556 PolarHBondContact O-N 2.9Å; M552-V556 HydrophobicContact SD-CG2 4.37Å
553	S	93.1	Very high	90.3	Very high	8 Å²	8	53.7 Å²	53.7	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-46.6	175.8	-63.5	0	0	0	0	111.7	S263 M266 V529 G549 I550 V557	S263-S553 PolarHBondContact OG-OG 3.44Å; M266-S553 WeakPolarHBondContact CB-OG 3.43Å; V529-S553 VanDerWaalsContact CG1-OG 3.25Å; V529-S553 WeakPolarHBondContact CG1-OG 3.22Å; G549-S553 WeakPolarHBondContact O-CB 3.44Å; G549-S553 PolarHBondContact O-N 3.31Å; G549-S553 PolarHBondContact O-OG 2.67Å; I550-S553 WeakPolarHBondContact O-CB 3.2Å; I550-S553 PolarHBondContact O-N 3.4Å; S553-V557 WeakPolarHBondContact O-CG2 3.18Å; S553-V557 PolarHBondContact O-N 2.82Å; S553-V557 VanDerWaalsContact O-N 3.16Å
554	V	93.2	Very high	90.5	Very high	55 Å²	55	53.2 Å²	53.2	33%	0.333	27%	0.266	S	S	.	.	H	α-helix	trans	-65.7	-44.9	177.3	173.2	0	0	0	0	110.5	Y261 I550 I551 M552 V556 V557 I558	Y261-V554 HydrophobicContact CD1-CG2 4.43Å; I550-V554 HydrophobicContact CG2-CG2 4.49Å; I550-V554 WeakPolarHBondContact O-CG2 3.33Å; I550-V554 PolarHBondContact O-N 3.46Å; I551-V554 PolarHBondContact O-N 2.86Å; M552-V554 PolarHBondContact O-N 3.04Å; V554-V556 VanDerWaalsContact C-N 3.34Å; V554-V556 PolarHBondContact O-N 2.77Å; V554-V557 PolarHBondContact O-N 2.8Å; V554-I558 HydrophobicContact CG1-CD1 3.7Å; V554-I558 HydrophobicContact CG1-CG1 4.35Å; V554-I558 WeakPolarHBondContact O-CB 3.42Å; V554-I558 VanDerWaalsContact O-CG1 3.28Å; V554-I558 WeakPolarHBondContact O-CG1 3.25Å; V554-I558 PolarHBondContact O-N 3.41Å
555	G	93.6	Very high	90.6	Very high	26 Å²	26	54.2 Å²	54.2	27%	0.268	27%	0.272	S	S	.	.	H	α-helix	trans	-57.6	-43.3	176.8	0	0	0	0	0	112.8	I551 M552 I558 L559	I551-G555 PolarHBondContact O-N 3.36Å; M552-G555 PolarHBondContact O-N 3.03Å; G555-I558 WeakPolarHBondContact O-CB 3.46Å; G555-I558 PolarHBondContact O-N 2.82Å; G555-L559 VanDerWaalsContact O-CG 3.3Å; G555-L559 WeakPolarHBondContact O-CG 3.24Å; G555-L559 PolarHBondContact O-N 3.46Å
556	V	93.3	Very high	90.6	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-40	176.7	165.1	0	0	0	0	112.4	W525 V529 M552 V554 I558 L559 R560	W525-V556 HydrophobicContact CB-CG1 3.75Å; W525-V556 HydrophobicContact CE3-CG1 4.47Å; W525-V556 HydrophobicContact CE3-CG2 4.27Å; W525-V556 HydrophobicContact CG-CG1 4.39Å; V529-V556 HydrophobicContact CG2-CB 3.99Å; V529-V556 HydrophobicContact CG2-CG1 4.28Å; V529-V556 HydrophobicContact CG2-CG2 3.68Å; M552-V556 HydrophobicContact CE-CG2 3.78Å; M552-V556 WeakPolarHBondContact O-CB 3.43Å; M552-V556 WeakPolarHBondContact O-CG2 3.35Å; M552-V556 PolarHBondContact O-N 2.9Å; M552-V556 HydrophobicContact SD-CG2 4.37Å; V554-V556 VanDerWaalsContact C-N 3.34Å; V554-V556 PolarHBondContact O-N 2.77Å; V556-I558 VanDerWaalsContact C-N 3.32Å; V556-L559 PolarHBondContact O-N 3.41Å; V556-R560 WeakPolarHBondContact O-CB 3.38Å; V556-R560 WeakPolarHBondContact O-CG 3.37Å; V556-R560 PolarHBondContact O-N 3.16Å
557	V	90.8	Very high	90.7	Very high	81 Å²	81	56.8 Å²	56.8	49%	0.491	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-44.1	174.3	171	0	0	0	0	110.4	S553 V554 R560 I561	S553-V557 WeakPolarHBondContact O-CG2 3.18Å; S553-V557 PolarHBondContact O-N 2.82Å; S553-V557 VanDerWaalsContact O-N 3.16Å; V554-V557 PolarHBondContact O-N 2.8Å; V557-R560 PolarHBondContact O-N 2.76Å; V557-I561 HydrophobicContact CG1-CD1 3.89Å; V557-I561 WeakPolarHBondContact O-CD1 3.18Å; V557-I561 VanDerWaalsContact O-CG1 3.26Å; V557-I561 WeakPolarHBondContact O-CG1 3.47Å; V557-I561 PolarHBondContact O-N 3.38Å
558	I	91.2	Very high	90.8	Very high	72 Å²	72	53.4 Å²	53.4	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-48.5	177.7	-73.6	174.5	0	0	0	111	V554 G555 V556 R560 I561 Q562 F605	V554-I558 HydrophobicContact CG1-CD1 3.7Å; V554-I558 HydrophobicContact CG1-CG1 4.35Å; V554-I558 WeakPolarHBondContact O-CB 3.42Å; V554-I558 VanDerWaalsContact O-CG1 3.28Å; V554-I558 WeakPolarHBondContact O-CG1 3.25Å; V554-I558 PolarHBondContact O-N 3.41Å; G555-I558 WeakPolarHBondContact O-CB 3.46Å; G555-I558 PolarHBondContact O-N 2.82Å; V556-I558 VanDerWaalsContact C-N 3.32Å; I558-R560 PolarHBondContact O-N 2.9Å; I558-I561 PolarHBondContact O-N 3.49Å; I558-Q562 PolarHBondContact O-N 3.15Å; I558-F605 HydrophobicContact CB-CE1 4.38Å; I558-F605 HydrophobicContact CG2-CD1 4.26Å; I558-F605 HydrophobicContact CG2-CE1 3.12Å; I558-F605 HydrophobicContact CG2-CE2 4.41Å; I558-F605 HydrophobicContact CG2-CZ 3.22Å
559	L	90.2	Very high	90.7	Very high	59 Å²	59	51.2 Å²	51.2	31%	0.309	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-40.5	177.4	-71	172.1	0	0	0	112.5	W525 G555 V556 I561 Q562 W563	W525-L559 HydrophobicContact CZ3-CD1 4.2Å; G555-L559 VanDerWaalsContact O-CG 3.3Å; G555-L559 WeakPolarHBondContact O-CG 3.24Å; G555-L559 PolarHBondContact O-N 3.46Å; V556-L559 PolarHBondContact O-N 3.41Å; L559-I561 PolarHBondContact O-N 3.09Å; L559-Q562 WeakPolarHBondContact O-CB 3.46Å; L559-Q562 PolarHBondContact O-N 3.34Å; L559-W563 HydrophobicContact CB-CZ3 4.15Å; L559-W563 HydrophobicContact CD2-CH2 4.13Å; L559-W563 HydrophobicContact CD2-CZ3 4.39Å; L559-W563 VanDerWaalsContact O-CE3 3.29Å
560	R	88.6	Confident	90.5	Very high	92 Å²	92	52.2 Å²	52.2	35%	0.347	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-29.1	177.1	-78.1	178.2	167.3	171.3	-6.2	113	S523 D526 V556 V557 I558 Q562	S523-R560 PolarHBondContact OG-NH2 3.12Å; D526-R560 IonicContact OD1-CZ 2.62Å; D526-R560 IonicContact OD1-NH1 3.91Å; D526-R560 PolarHBondContact OD1-NH1 2.85Å; D526-R560 IonicContact OD1-NH2 2.68Å; D526-R560 PolarHBondContact OD1-NH2 3.46Å; D526-R560 IonicContact OD2-NH1 3.02Å; D526-R560 IonicContact OD2-NH2 3.67Å; D526-R560 PolarHBondContact OD2-NH2 2.79Å; V556-R560 WeakPolarHBondContact O-CB 3.38Å; V556-R560 WeakPolarHBondContact O-CG 3.37Å; V556-R560 PolarHBondContact O-N 3.16Å; V557-R560 PolarHBondContact O-N 2.76Å; I558-R560 PolarHBondContact O-N 2.9Å; R560-Q562 VanDerWaalsContact C-N 3.34Å
561	I	88.5	Confident	90.5	Very high	74 Å²	74	51.6 Å²	51.6	38%	0.379	26%	0.258	S	S	.	.	H	α-helix	trans	-76.5	-22.5	178.2	-66.2	163.9	0	0	0	111.6	V557 I558 L559 P564 F603	V557-I561 HydrophobicContact CG1-CD1 3.89Å; V557-I561 WeakPolarHBondContact O-CD1 3.18Å; V557-I561 VanDerWaalsContact O-CG1 3.26Å; V557-I561 WeakPolarHBondContact O-CG1 3.47Å; V557-I561 PolarHBondContact O-N 3.38Å; I558-I561 PolarHBondContact O-N 3.49Å; L559-I561 PolarHBondContact O-N 3.09Å; I561-P564 WeakPolarHBondContact O-CD 3.47Å; I561-F603 HydrophobicContact CG2-CE1 3.53Å; I561-F603 HydrophobicContact CG2-CZ 3.48Å; I561-F603 VanDerWaalsContact CG2-CZ 3.48Å
562	Q	88.4	Confident	90.2	Very high	44 Å²	44	48.8 Å²	48.8	21%	0.206	24%	0.244	C	C	.	.	H	α-helix	trans	-71.1	-29.6	-179.9	-72.2	-176.7	-33.5	0	0	114.3	I558 L559 R560 P564 F605 Y609	I558-Q562 PolarHBondContact O-N 3.15Å; L559-Q562 WeakPolarHBondContact O-CB 3.46Å; L559-Q562 PolarHBondContact O-N 3.34Å; R560-Q562 VanDerWaalsContact C-N 3.34Å; Q562-P564 WeakPolarHBondContact O-CD 3.48Å; Q562-F605 HydrophobicContact CG-CD1 3.2Å; Q562-F605 HydrophobicContact CG-CE1 3.11Å; Q562-F605 HydrophobicContact CG-CG 4.19Å; Q562-F605 HydrophobicContact CG-CZ 4.07Å; Q562-Y609 WeakPolarHBondContact O-CD1 3.37Å
563	W	85.2	Confident	89.7	Confident	131 Å²	131	50.9 Å²	50.9	50%	0.496	25%	0.253	S	S	.	.			trans	-115.3	67.2	-174.9	-58	-55.3	0	0	0	113.2	W525 L559 Y609	W525-W563 HydrophobicContact CH2-CZ3 4.29Å; W525-W563 HydrophobicContact CZ2-CZ3 4.27Å; L559-W563 HydrophobicContact CB-CZ3 4.15Å; L559-W563 HydrophobicContact CD2-CH2 4.13Å; L559-W563 HydrophobicContact CD2-CZ3 4.39Å; L559-W563 VanDerWaalsContact O-CE3 3.29Å; W563-Y609 AromaticContact CD1-CE2 3.81Å
564	P	88.3	Confident	89.1	Confident	15 Å²	15	58.4 Å²	58.4	10%	0.097	29%	0.293	C	S	.	.			trans	-61.1	155.7	168	-25.7	38.9	0	0	0	112.3	I561 Q562 Y598 Y609	I561-P564 WeakPolarHBondContact O-CD 3.47Å; Q562-P564 WeakPolarHBondContact O-CD 3.48Å; P564-Y598 HydrophobicContact CB-CE1 4.19Å; P564-Y598 HydrophobicContact CB-CE2 3.97Å; P564-Y598 HydrophobicContact CG-CE1 4.2Å; P564-Y598 HydrophobicContact CG-CE2 4.35Å; P564-Y598 VanDerWaalsContact CG-OH 3.3Å; P564-Y598 WeakPolarHBondContact CG-OH 3.28Å; P564-Y609 WeakPolarHBondContact O-CE1 3.29Å; P564-Y609 PolarHBondContact O-OH 3.49Å
565	K	89.6	Confident	88.7	Confident	137 Å²	137	58.1 Å²	58.1	60%	0.596	29%	0.291	S	S	*	.			trans	-78.7	144.9	174.5	-63.8	-178.1	-179.5	179.1	0	110.2	E599	K565-E599 HydrophobicContact CB-CB 4.5Å; K565-E599 PolarHBondContact O-N 2.87Å
566	I	90.1	Very high	88.2	Confident	21 Å²	21	60.9 Å²	60.9	11%	0.108	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.9	172.9	-162.7	171.7	0	0	0	108.8	I596 R597 Y598 T613 V614 Q617	I566-I596 HydrophobicContact CD1-CG2 3.73Å; I566-I596 HydrophobicContact CG1-CG2 3.8Å; I566-R597 WeakPolarHBondContact CA-O 3.48Å; I566-Y598 HydrophobicContact CB-CD2 4.31Å; I566-Y598 HydrophobicContact CD1-CD2 4.26Å; I566-Y598 HydrophobicContact CG1-CD2 4.31Å; I566-T613 HydrophobicContact CG2-CG2 4.39Å; I566-V614 HydrophobicContact CD1-CG2 3.97Å; I566-Q617 HydrophobicContact CB-CG 4.43Å; I566-Q617 HydrophobicContact CD1-CB 4.47Å; I566-Q617 HydrophobicContact CD1-CG 3.78Å; I566-Q617 HydrophobicContact CG1-CG 3.93Å; I566-Q617 HydrophobicContact CG2-CG 3.72Å
567	H	88.2	Confident	88	Confident	42 Å²	42	65 Å²	65	19%	0.194	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.3	-179	-61.7	-74.4	0	0	0	110	I569 N580 R597	H567-I569 HydrophobicContact CB-CG2 4.33Å; H567-N580 HydrophobicContact CB-CB 4.48Å; H567-N580 PolarHBondContact ND1-ND2 2.9Å; H567-R597 PolarHBondContact N-O 3.29Å; H567-R597 PolarHBondContact O-N 3.11Å
568	S	88.3	Confident	88	Confident	23 Å²	23	61.8 Å²	61.8	16%	0.161	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.2	154.6	-174.4	0	0	0	0	107.5	E570 I595	S568-E570 PolarHBondContact OG-OE1 2.92Å; S568-I595 WeakPolarHBondContact CA-O 3.29Å
569	I	90.5	Very high	87.8	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.8	178.3	59.5	174.6	0	0	0	110.3	H567 R579 I595 R597 D739 I797	H567-I569 HydrophobicContact CB-CG2 4.33Å; I569-R579 CarbonylContact C-O 3.46Å; I569-R579 WeakPolarHBondContact CA-O 3.21Å; I569-I595 HydrophobicContact CD1-CG2 3.63Å; I569-I595 HydrophobicContact CG1-CB 3.77Å; I569-I595 HydrophobicContact CG1-CG2 3.42Å; I569-I595 VanDerWaalsContact CG1-CG2 3.42Å; I569-I595 PolarHBondContact N-O 2.96Å; I569-I595 WeakPolarHBondContact O-CB 3.43Å; I569-R597 HydrophobicContact CD1-CB 4.18Å; I569-R597 HydrophobicContact CG2-CB 4.16Å; I569-D739 HydrophobicContact CD1-CB 4.17Å; I569-I797 HydrophobicContact CD1-CD1 3.85Å
570	E	89.3	Confident	87.5	Confident	21 Å²	21	62.2 Å²	62.2	10%	0.098	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.3	-173.5	-62.5	77.6	-175.3	0	0	108.6	S568 Y578 R579 S581 Y587	S568-E570 PolarHBondContact OG-OE1 2.92Å; E570-Y578 WeakPolarHBondContact O-CA 3.34Å; E570-R579 PolarHBondContact N-O 3.13Å; E570-R579 PolarHBondContact O-N 3.02Å; E570-S581 WeakPolarHBondContact OE1-CB 2.92Å; E570-S581 PolarHBondContact OE1-OG 3.21Å; E570-S581 WeakPolarHBondContact OE2-CA 3.39Å; E570-S581 WeakPolarHBondContact OE2-CB 3.44Å; E570-S581 PolarHBondContact OE2-N 2.94Å; E570-S581 PolarHBondContact OE2-OG 2.7Å; E570-Y587 HydrophobicContact CB-CD2 3.89Å; E570-Y587 HydrophobicContact CB-CG 4.14Å; E570-Y587 HydrophobicContact CG-CD2 4.03Å; E570-Y587 HydrophobicContact CG-CE2 4.48Å
571	Q	90.5	Very high	87	Confident	24 Å²	24	59.1 Å²	59.1	11%	0.112	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.2	-179.2	-177.6	-179.9	4.1	0	0	109.4	T575 Y578 Y587 T588 H590	Q571-T575 VanDerWaalsContact CG-O 3.29Å; Q571-T575 WeakPolarHBondContact CG-O 3.43Å; Q571-T575 PolarHBondContact NE2-O 2.88Å; Q571-Y578 HydrophobicContact CB-CD1 3.99Å; Q571-Y578 HydrophobicContact CB-CE1 3.58Å; Q571-Y578 HydrophobicContact CG-CE1 4.21Å; Q571-Y587 CarbonylContact O-C 3.57Å; Q571-Y587 VanDerWaalsContact O-CA 3.26Å; Q571-Y587 WeakPolarHBondContact O-CA 3.48Å; Q571-Y587 WeakPolarHBondContact O-CB 3.48Å; Q571-T588 WeakPolarHBondContact CB-OG1 3.21Å; Q571-T588 PolarHBondContact O-N 2.78Å; Q571-T588 PolarHBondContact O-OG1 3.43Å; Q571-H590 PolarHBondContact OE1-NE2 2.91Å
572	I	88.3	Confident	86.6	Confident	41 Å²	41	64.9 Å²	64.9	21%	0.21	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	133.4	169.8	-66.3	172.7	0	0	0	108.3	N574 T575 I577 R579	I572-N574 PolarHBondContact O-N 3.36Å; I572-T575 WeakPolarHBondContact CB-OG1 3.41Å; I572-T575 HydrophobicContact CG2-CG2 4.28Å; I572-T575 PolarHBondContact O-N 3.47Å; I572-T575 VanDerWaalsContact O-N 3.08Å; I572-T575 PolarHBondContact O-OG1 3.32Å; I572-I577 HydrophobicContact CD1-CG2 4.12Å; I572-I577 PolarHBondContact N-O 2.98Å; I572-R579 HydrophobicContact CD1-CB 4.12Å; I572-R579 HydrophobicContact CD1-CG 3.69Å; I572-R579 HydrophobicContact CG1-CB 4.43Å; I572-R579 HydrophobicContact CG1-CG 4.46Å
573	Q	83.8	Confident	86.3	Confident	95 Å²	95	68.2 Å²	68.2	44%	0.444	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	131	-175.1	-64.2	-177.1	-10.1	0	0	112.2	T575 N586 Y587 T588	Q573-T575 VanDerWaalsContact C-N 3.26Å; Q573-T575 PolarHBondContact O-N 2.85Å; Q573-N586 PolarHBondContact N-O 3.02Å; Q573-Y587 PolarHBondContact NE2-O 2.93Å; Q573-T588 HydrophobicContact CB-CG2 4.42Å; Q573-T588 HydrophobicContact CG-CG2 3.81Å
574	N	81.1	Confident	86.1	Confident	166 Å²	166	66.9 Å²	66.9	89%	0.888	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	26.8	179	-54.3	-29.9	0	0	0	115.3	I572	I572-N574 PolarHBondContact O-N 3.36Å
575	T	84.9	Confident	85.6	Confident	49 Å²	49	72.3 Å²	72.3	30%	0.301	35%	0.348	S	S	.	.	S	Bend	trans	-137	160.6	176.8	71.9	0	0	0	0	112.1	Q571 I572 Q573 I577	Q571-T575 VanDerWaalsContact CG-O 3.29Å; Q571-T575 WeakPolarHBondContact CG-O 3.43Å; Q571-T575 PolarHBondContact NE2-O 2.88Å; I572-T575 WeakPolarHBondContact CB-OG1 3.41Å; I572-T575 HydrophobicContact CG2-CG2 4.28Å; I572-T575 PolarHBondContact O-N 3.47Å; I572-T575 VanDerWaalsContact O-N 3.08Å; I572-T575 PolarHBondContact O-OG1 3.32Å; Q573-T575 VanDerWaalsContact C-N 3.26Å; Q573-T575 PolarHBondContact O-N 2.85Å; T575-I577 PolarHBondContact O-N 3.47Å; T575-I577 PolarHBondContact OG1-N 3.04Å
576	E	84.1	Confident	85.3	Confident	84 Å²	84	69.5 Å²	69.5	39%	0.393	34%	0.34	S	S	.	.	S	Bend	trans	-83	12.3	170.4	-56.3	-169.9	175	0	0	112.9	Y578 H798	E576-Y578 WeakPolarHBondContact O-CD2 3.43Å; E576-Y578 WeakPolarHBondContact O-CE2 3.28Å; E576-H798 HydrophobicContact CB-CB 4.28Å; E576-H798 IonicContact OE1-CD2 3.78Å; E576-H798 IonicContact OE1-NE2 3.37Å
577	I	88.3	Confident	84.9	Confident	92 Å²	92	72.2 Å²	72.2	47%	0.472	35%	0.349	S	S	.	.			trans	-97.6	127.4	-170.1	-57.2	172.4	0	0	0	110	I572 T575 R579	I572-I577 HydrophobicContact CD1-CG2 4.12Å; I572-I577 PolarHBondContact N-O 2.98Å; T575-I577 PolarHBondContact O-N 3.47Å; T575-I577 PolarHBondContact OG1-N 3.04Å; I577-R579 HydrophobicContact CG2-CG 4.17Å
578	Y	89.6	Confident	84.4	Confident	13 Å²	13	72.4 Å²	72.4	5%	0.051	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.2	177.8	-64.6	-96.2	0	0	0	111	E570 Q571 E576 I595 I797 H798 V801	E570-Y578 WeakPolarHBondContact O-CA 3.34Å; Q571-Y578 HydrophobicContact CB-CD1 3.99Å; Q571-Y578 HydrophobicContact CB-CE1 3.58Å; Q571-Y578 HydrophobicContact CG-CE1 4.21Å; E576-Y578 WeakPolarHBondContact O-CD2 3.43Å; E576-Y578 WeakPolarHBondContact O-CE2 3.28Å; Y578-I595 HydrophobicContact CD1-CD1 3.62Å; Y578-I595 HydrophobicContact CE1-CD1 3.45Å; Y578-I595 VanDerWaalsContact CE1-CD1 3.45Å; Y578-I797 HydrophobicContact CD1-CG2 3.85Å; Y578-I797 HydrophobicContact CD2-CB 3.88Å; Y578-I797 HydrophobicContact CD2-CD1 4.44Å; Y578-I797 HydrophobicContact CD2-CG2 3.76Å; Y578-I797 HydrophobicContact CE1-CG2 3.9Å; Y578-I797 HydrophobicContact CE2-CB 4Å; Y578-I797 HydrophobicContact CE2-CG2 3.83Å; Y578-I797 HydrophobicContact CG-CB 4.31Å; Y578-I797 HydrophobicContact CG-CD1 4.41Å; Y578-I797 HydrophobicContact CG-CG2 3.78Å; Y578-H798 HydrophobicContact CE2-CB 3.91Å; Y578-H798 PolarHBondContact OH-ND1 3.22Å; Y578-V801 HydrophobicContact CE1-CG2 3.81Å; Y578-V801 VanDerWaalsContact OH-CB 3.28Å; Y578-V801 WeakPolarHBondContact OH-CB 3.34Å; Y578-V801 WeakPolarHBondContact OH-CG1 3.17Å; Y578-V801 WeakPolarHBondContact OH-CG2 3.3Å
579	R	87.7	Confident	83.7	Confident	123 Å²	123	77.5 Å²	77.5	46%	0.464	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	163.5	-179.8	-69.3	-63.3	-175.9	143.3	-0.2	110.5	I569 E570 I572 I577 S581 Y584	I569-R579 CarbonylContact C-O 3.46Å; I569-R579 WeakPolarHBondContact CA-O 3.21Å; E570-R579 PolarHBondContact N-O 3.13Å; E570-R579 PolarHBondContact O-N 3.02Å; I572-R579 HydrophobicContact CD1-CB 4.12Å; I572-R579 HydrophobicContact CD1-CG 3.69Å; I572-R579 HydrophobicContact CG1-CB 4.43Å; I572-R579 HydrophobicContact CG1-CG 4.46Å; I577-R579 HydrophobicContact CG2-CG 4.17Å; R579-S581 PolarHBondContact O-N 3.44Å; R579-Y584 HydrophobicContact CB-CD2 3.64Å; R579-Y584 HydrophobicContact CB-CE2 3.59Å; R579-Y584 HydrophobicContact CG-CD2 4.3Å; R579-Y584 HydrophobicContact CG-CE2 3.82Å
580	N	84.9	Confident	83.2	Confident	17 Å²	17	80 Å²	80	9%	0.091	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.6	177.2	174.7	20	0	0	0	110.6	H567 R582 D583	H567-N580 HydrophobicContact CB-CB 4.48Å; H567-N580 PolarHBondContact ND1-ND2 2.9Å; N580-R582 PolarHBondContact O-N 2.83Å; N580-R582 VanDerWaalsContact O-N 3.12Å; N580-R582 PolarHBondContact OD1-N 3.33Å; N580-D583 WeakPolarHBondContact CB-OD2 3.4Å; N580-D583 PolarHBondContact ND2-OD2 3.48Å; N580-D583 PolarHBondContact O-N 3.33Å
581	S	77.4	Confident	82.7	Confident	26 Å²	26	85 Å²	85	18%	0.182	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.3	177.8	39.7	0	0	0	0	113.7	E570 R579 D583	E570-S581 WeakPolarHBondContact OE1-CB 2.92Å; E570-S581 PolarHBondContact OE1-OG 3.21Å; E570-S581 WeakPolarHBondContact OE2-CA 3.39Å; E570-S581 WeakPolarHBondContact OE2-CB 3.44Å; E570-S581 PolarHBondContact OE2-N 2.94Å; E570-S581 PolarHBondContact OE2-OG 2.7Å; R579-S581 PolarHBondContact O-N 3.44Å; S581-D583 PolarHBondContact O-N 2.61Å
582	R	79.4	Confident	82.5	Confident	196 Å²	196	87.2 Å²	87.2	74%	0.74	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-27	179.7	-62.8	-174.6	179.8	-178.8	-0.1	113	N580	N580-R582 PolarHBondContact O-N 2.83Å; N580-R582 VanDerWaalsContact O-N 3.12Å; N580-R582 PolarHBondContact OD1-N 3.33Å
583	D	82.2	Confident	82.7	Confident	113 Å²	113	86 Å²	86	60%	0.604	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-14	-173.4	-56.8	-33.1	0	0	0	112.2	N580 S581	N580-D583 WeakPolarHBondContact CB-OD2 3.4Å; N580-D583 PolarHBondContact ND2-OD2 3.48Å; N580-D583 PolarHBondContact O-N 3.33Å; S581-D583 PolarHBondContact O-N 2.61Å
584	Y	81	Confident	83	Confident	104 Å²	104	83.8 Å²	83.8	41%	0.408	41%	0.406	S	S	.	.			trans	-136.6	139.6	-171.9	-62.8	-84.1	0	0	0	112.1	R579 Y587	R579-Y584 HydrophobicContact CB-CD2 3.64Å; R579-Y584 HydrophobicContact CB-CE2 3.59Å; R579-Y584 HydrophobicContact CG-CD2 4.3Å; R579-Y584 HydrophobicContact CG-CE2 3.82Å; Y584-Y587 WeakPolarHBondContact O-CD1 3.37Å; Y584-Y587 VanDerWaalsContact O-CE1 3.25Å; Y584-Y587 WeakPolarHBondContact O-CE1 3.3Å
585	T	78.5	Confident	83.6	Confident	128 Å²	128	76.2 Å²	76.2	79%	0.785	37%	0.365	S	S	*	.	S	Bend	trans	-89.2	-25.5	178.8	58.6	0	0	0	0	113.9	Y587	T585-Y587 PolarHBondContact O-N 3.33Å
586	N	82.6	Confident	84	Confident	78 Å²	78	73.9 Å²	73.9	42%	0.417	35%	0.351	S	S	.	.			trans	-101.1	76.1	-174.5	-71.3	3.8	0	0	0	111.3	Q573	Q573-N586 PolarHBondContact N-O 3.02Å
587	Y	81.6	Confident	84.5	Confident	78 Å²	78	72 Å²	72	31%	0.306	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	158.2	173.7	56.7	-88.2	0	0	0	111.4	E570 Q571 Q573 Y584 T585 E589	E570-Y587 HydrophobicContact CB-CD2 3.89Å; E570-Y587 HydrophobicContact CB-CG 4.14Å; E570-Y587 HydrophobicContact CG-CD2 4.03Å; E570-Y587 HydrophobicContact CG-CE2 4.48Å; Q571-Y587 CarbonylContact O-C 3.57Å; Q571-Y587 VanDerWaalsContact O-CA 3.26Å; Q571-Y587 WeakPolarHBondContact O-CA 3.48Å; Q571-Y587 WeakPolarHBondContact O-CB 3.48Å; Q573-Y587 PolarHBondContact NE2-O 2.93Å; Y584-Y587 WeakPolarHBondContact O-CD1 3.37Å; Y584-Y587 VanDerWaalsContact O-CE1 3.25Å; Y584-Y587 WeakPolarHBondContact O-CE1 3.3Å; T585-Y587 PolarHBondContact O-N 3.33Å; Y587-E589 HydrophobicContact CD2-CB 4.32Å; Y587-E589 HydrophobicContact CE2-CB 4.23Å
588	T	77.9	Confident	84.7	Confident	46 Å²	46	67.7 Å²	67.7	28%	0.282	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.6	165	48.2	0	0	0	0	108.3	Q571 Q573	Q571-T588 WeakPolarHBondContact CB-OG1 3.21Å; Q571-T588 PolarHBondContact O-N 2.78Å; Q571-T588 PolarHBondContact O-OG1 3.43Å; Q573-T588 HydrophobicContact CB-CG2 4.42Å; Q573-T588 HydrophobicContact CG-CG2 3.81Å
589	E	74.5	Confident	84.8	Confident	131 Å²	131	71.2 Å²	71.2	61%	0.612	34%	0.335	S	S	*	.			trans	-82.7	132.2	170.5	-167.8	168.3	-170.2	0	0	109.3	Y587	Y587-E589 HydrophobicContact CD2-CB 4.32Å; Y587-E589 HydrophobicContact CE2-CB 4.23Å
590	H	79.1	Confident	84.8	Confident	55 Å²	55	65.8 Å²	65.8	26%	0.255	32%	0.317	S	S	.	.			trans	-105.2	98.3	172	-70.5	-70.7	0	0	0	108.2	Q571 K592 I593	Q571-H590 PolarHBondContact OE1-NE2 2.91Å; H590-K592 PolarHBondContact O-N 2.85Å; H590-I593 HydrophobicContact CB-CB 3.87Å; H590-I593 HydrophobicContact CB-CD1 4.27Å; H590-I593 HydrophobicContact CB-CG1 4.29Å; H590-I593 PolarHBondContact O-N 2.99Å
591	D	78.5	Confident	85	Confident	126 Å²	126	67.2 Å²	67.2	67%	0.674	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-32.4	-175.3	-59.1	-12.2	0	0	0	113.9
592	K	87.9	Confident	85.6	Confident	71 Å²	71	66 Å²	66	31%	0.309	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-3.3	-176.4	-64.4	-166.9	169.3	-155	0	115.3	H590 N734 F735 L808	H590-K592 PolarHBondContact O-N 2.85Å; K592-N734 WeakPolarHBondContact CD-OD1 3.39Å; K592-N734 PolarHBondContact O-N 3.46Å; K592-F735 PolarHBondContact O-N 3.19Å; K592-F735 VanDerWaalsContact O-N 3.13Å; K592-L808 HydrophobicContact CB-CD1 4.18Å; K592-L808 HydrophobicContact CB-CD2 3.96Å; K592-L808 HydrophobicContact CD-CD1 3.31Å; K592-L808 HydrophobicContact CD-CD2 3.78Å; K592-L808 HydrophobicContact CD-CG 4.1Å; K592-L808 HydrophobicContact CG-CD1 4.38Å; K592-L808 HydrophobicContact CG-CD2 4.34Å
593	I	91.8	Very high	86.1	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.072	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.9	-175.4	-55.1	170.4	0	0	0	109.1	H590 I595 F735 I737 A804 I805	H590-I593 HydrophobicContact CB-CB 3.87Å; H590-I593 HydrophobicContact CB-CD1 4.27Å; H590-I593 HydrophobicContact CB-CG1 4.29Å; H590-I593 PolarHBondContact O-N 2.99Å; I593-I595 HydrophobicContact CG2-CG1 4.22Å; I593-F735 HydrophobicContact CB-CB 4.49Å; I593-F735 HydrophobicContact CG1-CB 4.22Å; I593-F735 HydrophobicContact CG1-CD2 4.39Å; I593-F735 HydrophobicContact CG2-CB 4.27Å; I593-I737 HydrophobicContact CG2-CD1 3.64Å; I593-I737 HydrophobicContact CG2-CG1 4.13Å; I593-A804 HydrophobicContact CD1-CB 3.74Å; I593-A804 HydrophobicContact CG1-CB 4.14Å; I593-I805 HydrophobicContact CD1-CG1 3.61Å
594	K	90.8	Very high	86.6	Confident	50 Å²	50	59.8 Å²	59.8	22%	0.217	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.3	179.2	-161.1	150.6	-172.6	168.6	0	110.7	Q617 T618 F733 F735 I736 I737	K594-Q617 WeakPolarHBondContact CE-O 3.28Å; K594-Q617 PolarHBondContact NZ-O 3.47Å; K594-T618 HydrophobicContact CD-CG2 4.47Å; K594-T618 VanDerWaalsContact NZ-C 3.25Å; K594-T618 PolarHBondContact NZ-O 3.24Å; K594-F733 HydrophobicContact CB-CD2 4.46Å; K594-F733 HydrophobicContact CB-CG 4.43Å; K594-F733 HydrophobicContact CD-CD1 4.28Å; K594-F733 HydrophobicContact CD-CE1 4.29Å; K594-F735 PolarHBondContact N-O 2.86Å; K594-I736 CarbonylContact O-C 3.53Å; K594-I736 WeakPolarHBondContact O-CA 3.44Å; K594-I737 PolarHBondContact O-N 2.57Å
595	I	93.8	Very high	86.9	Confident	6 Å²	6	57.9 Å²	57.9	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123	-176.7	-44.3	173.5	0	0	0	108.9	S568 I569 Y578 I593 I737 I797 V801	S568-I595 WeakPolarHBondContact CA-O 3.29Å; I569-I595 HydrophobicContact CD1-CG2 3.63Å; I569-I595 HydrophobicContact CG1-CB 3.77Å; I569-I595 HydrophobicContact CG1-CG2 3.42Å; I569-I595 VanDerWaalsContact CG1-CG2 3.42Å; I569-I595 PolarHBondContact N-O 2.96Å; I569-I595 WeakPolarHBondContact O-CB 3.43Å; Y578-I595 HydrophobicContact CD1-CD1 3.62Å; Y578-I595 HydrophobicContact CE1-CD1 3.45Å; Y578-I595 VanDerWaalsContact CE1-CD1 3.45Å; I593-I595 HydrophobicContact CG2-CG1 4.22Å; I595-I737 CarbonylContact C-O 3.52Å; I595-I737 WeakPolarHBondContact CA-O 3.38Å; I595-I737 HydrophobicContact CB-CB 4.45Å; I595-I737 HydrophobicContact CG1-CB 4.23Å; I595-I737 HydrophobicContact CG1-CD1 4.34Å; I595-I737 HydrophobicContact CG2-CB 4.11Å; I595-I737 HydrophobicContact CG2-CG2 4.21Å; I595-I797 HydrophobicContact CD1-CG2 4.12Å; I595-I797 HydrophobicContact CG2-CG2 3.94Å; I595-V801 HydrophobicContact CD1-CG2 3.45Å; I595-V801 VanDerWaalsContact CD1-CG2 3.45Å; I595-V801 HydrophobicContact CG1-CG2 4.3Å
596	I	93.3	Very high	87.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125	-174.5	-60	175.8	0	0	0	109.4	I566 V614 Q617 T618 I736 I737 F738 D739	I566-I596 HydrophobicContact CD1-CG2 3.73Å; I566-I596 HydrophobicContact CG1-CG2 3.8Å; I596-V614 HydrophobicContact CD1-CG1 4.27Å; I596-Q617 HydrophobicContact CD1-CB 4.33Å; I596-T618 HydrophobicContact CD1-CG2 3.55Å; I596-I736 HydrophobicContact CD1-CG2 4.34Å; I596-I737 PolarHBondContact N-O 3.04Å; I596-F738 HydrophobicContact CB-CD1 4.15Å; I596-F738 HydrophobicContact CB-CE1 4.24Å; I596-F738 HydrophobicContact CD1-CE1 4.3Å; I596-F738 HydrophobicContact CG2-CD1 4.38Å; I596-F738 HydrophobicContact CG2-CE1 4.32Å; I596-D739 PolarHBondContact O-N 2.85Å
597	R	94.1	Very high	87.8	Confident	46 Å²	46	48.2 Å²	48.2	17%	0.174	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.2	170	178.9	179.4	-70.2	165.6	2.7	109.8	I566 H567 I569 E599 D739	I566-R597 WeakPolarHBondContact CA-O 3.48Å; H567-R597 PolarHBondContact N-O 3.29Å; H567-R597 PolarHBondContact O-N 3.11Å; I569-R597 HydrophobicContact CD1-CB 4.18Å; I569-R597 HydrophobicContact CG2-CB 4.16Å; R597-E599 HydrophobicContact CG-CG 3.99Å; R597-D739 HydrophobicContact CB-CB 4.11Å; R597-D739 HydrophobicContact CG-CB 4.42Å; R597-D739 IonicContact CZ-OD2 2.82Å; R597-D739 IonicContact NE-OD2 3.01Å; R597-D739 PolarHBondContact NE-OD2 3.29Å; R597-D739 IonicContact NH2-OD2 3.44Å; R597-D739 PolarHBondContact NH2-OD2 3.39Å
598	Y	92.5	Very high	88.2	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111.7	170.9	-179.2	-99.4	0	0	0	109.6	P564 I566 G600 I602 Y609 F610 W743	P564-Y598 HydrophobicContact CB-CE1 4.19Å; P564-Y598 HydrophobicContact CB-CE2 3.97Å; P564-Y598 HydrophobicContact CG-CE1 4.2Å; P564-Y598 HydrophobicContact CG-CE2 4.35Å; P564-Y598 VanDerWaalsContact CG-OH 3.3Å; P564-Y598 WeakPolarHBondContact CG-OH 3.28Å; I566-Y598 HydrophobicContact CB-CD2 4.31Å; I566-Y598 HydrophobicContact CD1-CD2 4.26Å; I566-Y598 HydrophobicContact CG1-CD2 4.31Å; Y598-G600 PolarHBondContact O-N 3.49Å; Y598-I602 HydrophobicContact CD1-CD1 4.44Å; Y598-I602 HydrophobicContact CD1-CG1 4.09Å; Y598-I602 HydrophobicContact CE1-CG1 3.9Å; Y598-Y609 HydrophobicContact CE2-CD1 4.32Å; Y598-Y609 HydrophobicContact CE2-CE1 4.41Å; Y598-F610 AromaticContact CD1-CD2 3.9Å; Y598-F610 HydrophobicContact CD1-CD2 3.9Å; Y598-F610 HydrophobicContact CD1-CE2 4.42Å; Y598-F610 AromaticContact CD2-CD2 3.79Å; Y598-F610 HydrophobicContact CD2-CD2 3.79Å; Y598-F610 HydrophobicContact CE1-CD2 4.13Å; Y598-F610 HydrophobicContact CE2-CB 4.2Å; Y598-F610 HydrophobicContact CE2-CD2 4.05Å; Y598-F610 AromaticContact CG-CD2 3.69Å; Y598-F610 HydrophobicContact CG-CD2 3.69Å; Y598-F610 HydrophobicContact CG-CE2 4.13Å; Y598-W743 AromaticContact CD1-NE1 3.88Å; Y598-W743 PolarHBondContact O-NE1 3.2Å
599	E	90.2	Very high	88.8	Confident	86 Å²	86	51.5 Å²	51.5	40%	0.402	24%	0.236	S	C	.	.			trans	-87.1	51.6	-173.6	-60.1	-167.6	160.1	0	0	112.2	K565 R597	K565-E599 HydrophobicContact CB-CB 4.5Å; K565-E599 PolarHBondContact O-N 2.87Å; R597-E599 HydrophobicContact CG-CG 3.99Å
600	G	88.1	Confident	89.7	Confident	10 Å²	10	45.2 Å²	45.2	10%	0.103	21%	0.207	C	C	.	.	S	Bend	trans	-154.5	172.2	-176.2	0	0	0	0	0	114.2	Y598	Y598-G600 PolarHBondContact O-N 3.49Å
601	N	89.2	Confident	90.3	Very high	46 Å²	46	45.3 Å²	45.3	25%	0.246	21%	0.205	C	C	.	.			trans	-81.5	156.3	166.5	-64.9	-31.8	0	0	0	109.6	F603 C606 T744 F745	N601-F603 HydrophobicContact CB-CD1 4.01Å; N601-F603 HydrophobicContact CB-CE1 4.3Å; N601-C606 PolarHBondContact O-SG 2.83Å; N601-T744 PolarHBondContact ND2-OG1 2.9Å; N601-T744 WeakPolarHBondContact OD1-CA 3.15Å; N601-T744 WeakPolarHBondContact OD1-CB 3.26Å; N601-T744 PolarHBondContact OD1-N 2.75Å; N601-T744 VanDerWaalsContact OD1-N 3.07Å; N601-T744 PolarHBondContact OD1-OG1 3.35Å; N601-F745 HydrophobicContact CB-CB 4.33Å; N601-F745 PolarHBondContact OD1-N 2.65Å; N601-F745 VanDerWaalsContact OD1-N 3.14Å
602	I	90.2	Very high	91	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-119.9	98.2	-179.4	-52.8	177.6	0	0	0	107.7	Y598 F610 W743 F745 M746 D747	Y598-I602 HydrophobicContact CD1-CD1 4.44Å; Y598-I602 HydrophobicContact CD1-CG1 4.09Å; Y598-I602 HydrophobicContact CE1-CG1 3.9Å; I602-F610 HydrophobicContact CD1-CD1 4.37Å; I602-F610 HydrophobicContact CD1-CD2 3.89Å; I602-F610 HydrophobicContact CD1-CE1 4.26Å; I602-F610 HydrophobicContact CD1-CE2 3.76Å; I602-F610 HydrophobicContact CD1-CG 4.19Å; I602-F610 HydrophobicContact CD1-CZ 3.95Å; I602-F610 HydrophobicContact CG1-CD2 4.32Å; I602-F610 HydrophobicContact CG1-CG 4.45Å; I602-F610 HydrophobicContact CG2-CD1 4.3Å; I602-F610 HydrophobicContact CG2-CG 4.37Å; I602-W743 HydrophobicContact CD1-CD2 3.73Å; I602-W743 VanDerWaalsContact CD1-CE2 3.48Å; I602-W743 HydrophobicContact CD1-CE3 3.95Å; I602-W743 HydrophobicContact CD1-CG 4.41Å; I602-W743 HydrophobicContact CD1-CH2 3.76Å; I602-W743 HydrophobicContact CD1-CZ2 3.51Å; I602-W743 HydrophobicContact CD1-CZ3 3.96Å; I602-F745 PolarHBondContact N-O 2.8Å; I602-M746 HydrophobicContact CB-CE 3.81Å; I602-M746 HydrophobicContact CB-CG 4.48Å; I602-M746 HydrophobicContact CD1-CE 3.66Å; I602-M746 HydrophobicContact CG1-CE 4.17Å; I602-M746 HydrophobicContact CG2-CE 4.29Å; I602-M746 WeakPolarHBondContact O-CA 3.28Å; I602-M746 WeakPolarHBondContact O-CG 3.43Å; I602-D747 PolarHBondContact O-N 3.37Å
603	F	91.2	Very high	91.1	Very high	31 Å²	31	41.5 Å²	41.5	14%	0.136	19%	0.185	C	C	.	.	S	Bend	trans	-142.8	172.8	179.8	68.4	-75.9	0	0	0	109.4	I561 N601 F605 C606 A607 F745 D747	I561-F603 HydrophobicContact CG2-CE1 3.53Å; I561-F603 HydrophobicContact CG2-CZ 3.48Å; I561-F603 VanDerWaalsContact CG2-CZ 3.48Å; N601-F603 HydrophobicContact CB-CD1 4.01Å; N601-F603 HydrophobicContact CB-CE1 4.3Å; F603-F605 HydrophobicContact CD2-CB 3.77Å; F603-F605 HydrophobicContact CE2-CB 3.2Å; F603-F605 HydrophobicContact CE2-CG 4.16Å; F603-F605 HydrophobicContact CZ-CB 3.64Å; F603-F605 HydrophobicContact CZ-CD1 4.42Å; F603-F605 HydrophobicContact CZ-CG 4.46Å; F603-F605 PolarHBondContact O-N 3.2Å; F603-C606 VanDerWaalsContact CD1-SG 3.52Å; F603-C606 PolarHBondContact N-SG 3.08Å; F603-C606 PolarHBondContact O-N 3.34Å; F603-A607 WeakPolarHBondContact O-CB 3.4Å; F603-A607 PolarHBondContact O-N 3.31Å; F603-F745 HydrophobicContact CB-CD1 4.12Å; F603-F745 HydrophobicContact CB-CE1 3.8Å; F603-F745 HydrophobicContact CG-CD1 4.44Å; F603-F745 HydrophobicContact CG-CE1 4.28Å; F603-D747 WeakPolarHBondContact CA-OD1 3.43Å; F603-D747 HydrophobicContact CB-CB 4.16Å; F603-D747 WeakPolarHBondContact CB-OD2 3.46Å
604	Y	91.4	Very high	91.1	Very high	149 Å²	149	40.8 Å²	40.8	58%	0.584	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45	-32.1	-169.8	81.3	-87.2	0	0	0	114.8	D747	Y604-D747 PolarHBondContact N-OD1 3.39Å; Y604-D747 PolarHBondContact N-OD2 2.9Å
605	F	86.5	Confident	91.2	Very high	63 Å²	63	39.7 Å²	39.7	28%	0.276	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-20.8	-174.4	-149.3	-121.2	0	0	0	115.1	I558 Q562 F603	I558-F605 HydrophobicContact CB-CE1 4.38Å; I558-F605 HydrophobicContact CG2-CD1 4.26Å; I558-F605 HydrophobicContact CG2-CE1 3.12Å; I558-F605 HydrophobicContact CG2-CE2 4.41Å; I558-F605 HydrophobicContact CG2-CZ 3.22Å; Q562-F605 HydrophobicContact CG-CD1 3.2Å; Q562-F605 HydrophobicContact CG-CE1 3.11Å; Q562-F605 HydrophobicContact CG-CG 4.19Å; Q562-F605 HydrophobicContact CG-CZ 4.07Å; F603-F605 HydrophobicContact CD2-CB 3.77Å; F603-F605 HydrophobicContact CE2-CB 3.2Å; F603-F605 HydrophobicContact CE2-CG 4.16Å; F603-F605 HydrophobicContact CZ-CB 3.64Å; F603-F605 HydrophobicContact CZ-CD1 4.42Å; F603-F605 HydrophobicContact CZ-CG 4.46Å; F603-F605 PolarHBondContact O-N 3.2Å
606	C	90.3	Very high	91	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.014	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	5.8	-179.8	58.4	0	0	0	0	112.8	N601 F603 Y609 F610	N601-C606 PolarHBondContact O-SG 2.83Å; F603-C606 VanDerWaalsContact CD1-SG 3.52Å; F603-C606 PolarHBondContact N-SG 3.08Å; F603-C606 PolarHBondContact O-N 3.34Å; C606-Y609 PolarHBondContact O-N 2.81Å; C606-F610 PolarHBondContact O-N 3.29Å
607	A	90.5	Very high	90.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-41.5	-174.4	0	0	0	0	0	112.3	F603 F610 R611 V749 E753	F603-A607 WeakPolarHBondContact O-CB 3.4Å; F603-A607 PolarHBondContact O-N 3.31Å; A607-F610 WeakPolarHBondContact O-CB 3.35Å; A607-F610 PolarHBondContact O-N 3.36Å; A607-R611 PolarHBondContact O-N 2.75Å; A607-R611 VanDerWaalsContact O-N 3.09Å; A607-V749 HydrophobicContact CB-CG1 4.28Å; A607-E753 HydrophobicContact CB-CB 3.96Å; A607-E753 HydrophobicContact CB-CG 3.64Å
608	E	90	Very high	90.4	Very high	122 Å²	122	46.1 Å²	46.1	57%	0.57	21%	0.212	S	C	*	.	H	α-helix	trans	-63.7	-43.7	173	-65.2	-171.5	148.2	0	0	111.6	F610 R611 E612	E608-F610 VanDerWaalsContact C-N 3.32Å; E608-F610 PolarHBondContact O-N 2.75Å; E608-R611 WeakPolarHBondContact O-CB 3.47Å; E608-R611 PolarHBondContact O-N 3.44Å; E608-R611 VanDerWaalsContact O-N 3.15Å; E608-E612 WeakPolarHBondContact O-CG 3.28Å; E608-E612 PolarHBondContact O-N 2.87Å
609	Y	91	Very high	90.1	Very high	71 Å²	71	49.1 Å²	49.1	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-40.3	176.6	179.9	-101.2	0	0	0	111.6	Q562 W563 P564 Y598 C606 E612 T613	Q562-Y609 WeakPolarHBondContact O-CD1 3.37Å; W563-Y609 AromaticContact CD1-CE2 3.81Å; P564-Y609 WeakPolarHBondContact O-CE1 3.29Å; P564-Y609 PolarHBondContact O-OH 3.49Å; Y598-Y609 HydrophobicContact CE2-CD1 4.32Å; Y598-Y609 HydrophobicContact CE2-CE1 4.41Å; C606-Y609 PolarHBondContact O-N 2.81Å; Y609-E612 PolarHBondContact O-N 3.4Å; Y609-T613 HydrophobicContact CD1-CG2 4.05Å; Y609-T613 HydrophobicContact CD2-CG2 3.9Å; Y609-T613 HydrophobicContact CE1-CG2 3.65Å; Y609-T613 HydrophobicContact CE2-CG2 3.48Å; Y609-T613 VanDerWaalsContact CE2-CG2 3.48Å; Y609-T613 HydrophobicContact CG-CG2 4.17Å; Y609-T613 VanDerWaalsContact O-CB 3.27Å; Y609-T613 WeakPolarHBondContact O-CB 3.24Å; Y609-T613 VanDerWaalsContact O-CG2 3.26Å; Y609-T613 WeakPolarHBondContact O-CG2 3.47Å; Y609-T613 PolarHBondContact O-N 2.67Å; Y609-T613 PolarHBondContact O-OG1 3.46Å
610	F	93.4	Very high	89.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.8	-50.7	172.1	168.1	-101.7	0	0	0	111.1	Y598 I602 C606 A607 E608 T613 V614 F738 W743 L754 V757	Y598-F610 AromaticContact CD1-CD2 3.9Å; Y598-F610 HydrophobicContact CD1-CD2 3.9Å; Y598-F610 HydrophobicContact CD1-CE2 4.42Å; Y598-F610 AromaticContact CD2-CD2 3.79Å; Y598-F610 HydrophobicContact CD2-CD2 3.79Å; Y598-F610 HydrophobicContact CE1-CD2 4.13Å; Y598-F610 HydrophobicContact CE2-CB 4.2Å; Y598-F610 HydrophobicContact CE2-CD2 4.05Å; Y598-F610 AromaticContact CG-CD2 3.69Å; Y598-F610 HydrophobicContact CG-CD2 3.69Å; Y598-F610 HydrophobicContact CG-CE2 4.13Å; I602-F610 HydrophobicContact CD1-CD1 4.37Å; I602-F610 HydrophobicContact CD1-CD2 3.89Å; I602-F610 HydrophobicContact CD1-CE1 4.26Å; I602-F610 HydrophobicContact CD1-CE2 3.76Å; I602-F610 HydrophobicContact CD1-CG 4.19Å; I602-F610 HydrophobicContact CD1-CZ 3.95Å; I602-F610 HydrophobicContact CG1-CD2 4.32Å; I602-F610 HydrophobicContact CG1-CG 4.45Å; I602-F610 HydrophobicContact CG2-CD1 4.3Å; I602-F610 HydrophobicContact CG2-CG 4.37Å; C606-F610 PolarHBondContact O-N 3.29Å; A607-F610 WeakPolarHBondContact O-CB 3.35Å; A607-F610 PolarHBondContact O-N 3.36Å; E608-F610 VanDerWaalsContact C-N 3.32Å; E608-F610 PolarHBondContact O-N 2.75Å; F610-T613 PolarHBondContact O-N 2.67Å; F610-T613 PolarHBondContact O-OG1 2.82Å; F610-T613 VanDerWaalsContact O-OG1 3.06Å; F610-V614 HydrophobicContact CD2-CG2 4Å; F610-V614 HydrophobicContact CE1-CG2 4.41Å; F610-V614 HydrophobicContact CE2-CG2 3.68Å; F610-V614 HydrophobicContact CZ-CG2 3.9Å; F610-V614 WeakPolarHBondContact O-CB 3.22Å; F610-V614 WeakPolarHBondContact O-CG2 3.27Å; F610-V614 PolarHBondContact O-N 3.12Å; F610-F738 HydrophobicContact CZ-CE1 4.25Å; F610-W743 AromaticContact CE2-CZ2 3.97Å; F610-W743 HydrophobicContact CE2-CZ2 3.97Å; F610-W743 HydrophobicContact CZ-CH2 4.31Å; F610-W743 HydrophobicContact CZ-CZ2 4.16Å; F610-L754 HydrophobicContact CE1-CD1 4.14Å; F610-L754 HydrophobicContact CZ-CD1 4.07Å; F610-V757 HydrophobicContact CE1-CG2 4.32Å
611	R	92.1	Very high	89.9	Confident	57 Å²	57	48.9 Å²	48.9	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-52.5	178.3	177.3	178.1	68.9	-148.1	-0	112.1	A607 E608 T613 V614 Y615 E753 V757	A607-R611 PolarHBondContact O-N 2.75Å; A607-R611 VanDerWaalsContact O-N 3.09Å; E608-R611 WeakPolarHBondContact O-CB 3.47Å; E608-R611 PolarHBondContact O-N 3.44Å; E608-R611 VanDerWaalsContact O-N 3.15Å; R611-T613 PolarHBondContact O-N 3.46Å; R611-V614 PolarHBondContact O-N 3.28Å; R611-Y615 HydrophobicContact CG-CD2 4.06Å; R611-Y615 HydrophobicContact CG-CE1 3.98Å; R611-Y615 HydrophobicContact CG-CE2 3.39Å; R611-Y615 WeakPolarHBondContact CG-OH 3.09Å; R611-Y615 WeakPolarHBondContact O-CD1 2.98Å; R611-Y615 VanDerWaalsContact O-CG 3.23Å; R611-Y615 PolarHBondContact O-N 3.32Å; R611-E753 WeakPolarHBondContact CD-OE2 2.92Å; R611-E753 IonicContact CZ-OE1 2.61Å; R611-E753 IonicContact CZ-OE2 3.43Å; R611-E753 IonicContact NE-OE2 2.63Å; R611-E753 IonicContact NH1-OE1 3.34Å; R611-E753 PolarHBondContact NH1-OE1 3.39Å; R611-E753 IonicContact NH1-OE2 3.04Å; R611-E753 PolarHBondContact NH1-OE2 2.8Å; R611-V757 HydrophobicContact CB-CG2 3.97Å; R611-V757 HydrophobicContact CG-CG2 3.8Å
612	E	91.7	Very high	89.8	Confident	107 Å²	107	46.7 Å²	46.7	50%	0.5	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-45.7	-178.4	-72.3	-178.7	172.9	0	0	111.8	E608 Y609 V614 Y615 L616	E608-E612 WeakPolarHBondContact O-CG 3.28Å; E608-E612 PolarHBondContact O-N 2.87Å; Y609-E612 PolarHBondContact O-N 3.4Å; E612-V614 PolarHBondContact O-N 3.35Å; E612-Y615 PolarHBondContact O-N 3.45Å; E612-L616 WeakPolarHBondContact O-CB 3.48Å; E612-L616 VanDerWaalsContact O-CG 3.28Å; E612-L616 WeakPolarHBondContact O-CG 3.5Å; E612-L616 PolarHBondContact O-N 3.32Å
613	T	91	Very high	89.6	Confident	9 Å²	9	52.8 Å²	52.8	6%	0.055	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-37.1	179.8	53	0	0	0	0	112.5	I566 Y609 F610 R611 Y615 L616 Q617	I566-T613 HydrophobicContact CG2-CG2 4.39Å; Y609-T613 HydrophobicContact CD1-CG2 4.05Å; Y609-T613 HydrophobicContact CD2-CG2 3.9Å; Y609-T613 HydrophobicContact CE1-CG2 3.65Å; Y609-T613 HydrophobicContact CE2-CG2 3.48Å; Y609-T613 VanDerWaalsContact CE2-CG2 3.48Å; Y609-T613 HydrophobicContact CG-CG2 4.17Å; Y609-T613 VanDerWaalsContact O-CB 3.27Å; Y609-T613 WeakPolarHBondContact O-CB 3.24Å; Y609-T613 VanDerWaalsContact O-CG2 3.26Å; Y609-T613 WeakPolarHBondContact O-CG2 3.47Å; Y609-T613 PolarHBondContact O-N 2.67Å; Y609-T613 PolarHBondContact O-OG1 3.46Å; F610-T613 PolarHBondContact O-N 2.67Å; F610-T613 PolarHBondContact O-OG1 2.82Å; F610-T613 VanDerWaalsContact O-OG1 3.06Å; R611-T613 PolarHBondContact O-N 3.46Å; T613-Y615 VanDerWaalsContact C-N 3.33Å; T613-L616 PolarHBondContact O-N 3.02Å; T613-Q617 WeakPolarHBondContact O-CB 3.41Å; T613-Q617 VanDerWaalsContact O-CG 3.28Å; T613-Q617 WeakPolarHBondContact O-CG 3.45Å; T613-Q617 PolarHBondContact O-N 3.27Å
614	V	92.3	Very high	89.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-44.4	172.5	166.8	0	0	0	0	110.6	I566 I596 F610 R611 E612 Q617 T618 F738 V757 Y761	I566-V614 HydrophobicContact CD1-CG2 3.97Å; I596-V614 HydrophobicContact CD1-CG1 4.27Å; F610-V614 HydrophobicContact CD2-CG2 4Å; F610-V614 HydrophobicContact CE1-CG2 4.41Å; F610-V614 HydrophobicContact CE2-CG2 3.68Å; F610-V614 HydrophobicContact CZ-CG2 3.9Å; F610-V614 WeakPolarHBondContact O-CB 3.22Å; F610-V614 WeakPolarHBondContact O-CG2 3.27Å; F610-V614 PolarHBondContact O-N 3.12Å; R611-V614 PolarHBondContact O-N 3.28Å; E612-V614 PolarHBondContact O-N 3.35Å; V614-Q617 PolarHBondContact O-N 2.9Å; V614-T618 WeakPolarHBondContact O-CG2 3.46Å; V614-T618 PolarHBondContact O-N 3.3Å; V614-T618 PolarHBondContact O-OG1 2.93Å; V614-T618 VanDerWaalsContact O-OG1 3.13Å; V614-F738 HydrophobicContact CB-CE1 4.49Å; V614-F738 HydrophobicContact CG1-CE1 3.83Å; V614-F738 HydrophobicContact CG1-CZ 3.7Å; V614-F738 HydrophobicContact CG2-CE1 3.74Å; V614-F738 HydrophobicContact CG2-CZ 4.31Å; V614-V757 HydrophobicContact CG1-CG1 4.07Å; V614-Y761 HydrophobicContact CG1-CE2 3.93Å
615	Y	92.5	Very high	89.1	Confident	27 Å²	27	47.9 Å²	47.9	11%	0.106	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-39.4	178	-62.8	-8.8	0	0	0	112.2	R611 E612 T613 T618 G619 I620 P622 V757 Y761	R611-Y615 HydrophobicContact CG-CD2 4.06Å; R611-Y615 HydrophobicContact CG-CE1 3.98Å; R611-Y615 HydrophobicContact CG-CE2 3.39Å; R611-Y615 WeakPolarHBondContact CG-OH 3.09Å; R611-Y615 WeakPolarHBondContact O-CD1 2.98Å; R611-Y615 VanDerWaalsContact O-CG 3.23Å; R611-Y615 PolarHBondContact O-N 3.32Å; E612-Y615 PolarHBondContact O-N 3.45Å; T613-Y615 VanDerWaalsContact C-N 3.33Å; Y615-T618 PolarHBondContact O-OG1 2.87Å; Y615-T618 VanDerWaalsContact O-OG1 3.04Å; Y615-G619 PolarHBondContact O-N 3.37Å; Y615-I620 PolarHBondContact O-N 2.88Å; Y615-P622 HydrophobicContact CD1-CG 4.04Å; Y615-P622 VanDerWaalsContact CE1-CD 3.49Å; Y615-P622 HydrophobicContact CE1-CG 3.47Å; Y615-P622 VanDerWaalsContact CE1-CG 3.47Å; Y615-P622 HydrophobicContact CE2-CG 4.37Å; Y615-V757 HydrophobicContact CE1-CG1 4.37Å; Y615-V757 HydrophobicContact CE1-CG2 4.19Å; Y615-Y761 HydrophobicContact CD1-CE2 4.24Å; Y615-Y761 WeakPolarHBondContact CD1-OH 3.48Å; Y615-Y761 HydrophobicContact CE1-CE2 4.08Å
616	L	90.3	Very high	89	Confident	135 Å²	135	46 Å²	46	71%	0.707	24%	0.235	S	C	*	.	H	α-helix	trans	-65.7	-41	175	-71.1	171.5	0	0	0	111.8	E612 T613 G619	E612-L616 WeakPolarHBondContact O-CB 3.48Å; E612-L616 VanDerWaalsContact O-CG 3.28Å; E612-L616 WeakPolarHBondContact O-CG 3.5Å; E612-L616 PolarHBondContact O-N 3.32Å; T613-L616 PolarHBondContact O-N 3.02Å; L616-G619 PolarHBondContact O-N 3.21Å
617	Q	87.3	Confident	88.8	Confident	47 Å²	47	49.3 Å²	49.3	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-40.6	178.2	-71.5	-58.4	-46.8	0	0	111.8	I566 K594 I596 T613 V614 G619	I566-Q617 HydrophobicContact CB-CG 4.43Å; I566-Q617 HydrophobicContact CD1-CB 4.47Å; I566-Q617 HydrophobicContact CD1-CG 3.78Å; I566-Q617 HydrophobicContact CG1-CG 3.93Å; I566-Q617 HydrophobicContact CG2-CG 3.72Å; K594-Q617 WeakPolarHBondContact CE-O 3.28Å; K594-Q617 PolarHBondContact NZ-O 3.47Å; I596-Q617 HydrophobicContact CD1-CB 4.33Å; T613-Q617 WeakPolarHBondContact O-CB 3.41Å; T613-Q617 VanDerWaalsContact O-CG 3.28Å; T613-Q617 WeakPolarHBondContact O-CG 3.45Å; T613-Q617 PolarHBondContact O-N 3.27Å; V614-Q617 PolarHBondContact O-N 2.9Å; Q617-G619 VanDerWaalsContact C-N 3.28Å; Q617-G619 PolarHBondContact O-N 3.19Å
618	T	87.3	Confident	88.6	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-68.2	-29.4	175.4	56.8	0	0	0	0	112.5	K594 I596 V614 Y615 I620 F733 I736 Y761	K594-T618 HydrophobicContact CD-CG2 4.47Å; K594-T618 VanDerWaalsContact NZ-C 3.25Å; K594-T618 PolarHBondContact NZ-O 3.24Å; I596-T618 HydrophobicContact CD1-CG2 3.55Å; V614-T618 WeakPolarHBondContact O-CG2 3.46Å; V614-T618 PolarHBondContact O-N 3.3Å; V614-T618 PolarHBondContact O-OG1 2.93Å; V614-T618 VanDerWaalsContact O-OG1 3.13Å; Y615-T618 PolarHBondContact O-OG1 2.87Å; Y615-T618 VanDerWaalsContact O-OG1 3.04Å; T618-I620 PolarHBondContact OG1-N 3.42Å; T618-I620 PolarHBondContact OG1-O 2.71Å; T618-F733 HydrophobicContact CG2-CZ 4.23Å; T618-I736 HydrophobicContact CG2-CD1 3.87Å; T618-I736 HydrophobicContact CG2-CG1 4.43Å; T618-Y761 WeakPolarHBondContact CB-OH 3.28Å; T618-Y761 HydrophobicContact CG2-CE1 4.3Å; T618-Y761 WeakPolarHBondContact CG2-OH 3.33Å; T618-Y761 PolarHBondContact OG1-OH 3.42Å
619	G	84.8	Confident	88.4	Confident	63 Å²	63	49.3 Å²	49.3	65%	0.649	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	2.5	-175.1	0	0	0	0	0	113	Y615 L616 Q617	Y615-G619 PolarHBondContact O-N 3.37Å; L616-G619 PolarHBondContact O-N 3.21Å; Q617-G619 VanDerWaalsContact C-N 3.28Å; Q617-G619 PolarHBondContact O-N 3.19Å
620	I	85.3	Confident	88.3	Confident	14 Å²	14	49.2 Å²	49.2	7%	0.072	26%	0.256	C	S	.	.			trans	-126.9	123.4	-179.1	-57.6	179.5	0	0	0	108	Y615 T618 P622 L625 I731 F733 L764	Y615-I620 PolarHBondContact O-N 2.88Å; T618-I620 PolarHBondContact OG1-N 3.42Å; T618-I620 PolarHBondContact OG1-O 2.71Å; I620-P622 VanDerWaalsContact O-CD 3.22Å; I620-P622 WeakPolarHBondContact O-CD 3.45Å; I620-L625 HydrophobicContact CG2-CB 4.46Å; I620-L625 HydrophobicContact CG2-CD1 3.84Å; I620-I731 HydrophobicContact CD1-CG1 4.47Å; I620-F733 HydrophobicContact CD1-CD1 4.39Å; I620-F733 HydrophobicContact CD1-CE1 3.52Å; I620-F733 HydrophobicContact CD1-CZ 3.81Å; I620-F733 HydrophobicContact CG1-CE1 4.11Å; I620-F733 HydrophobicContact CG1-CZ 4.41Å; I620-L764 HydrophobicContact CG2-CD1 4.39Å
621	N	89.4	Confident	88	Confident	77 Å²	77	56.3 Å²	56.3	41%	0.412	28%	0.282	S	S	.	.			trans	-85.9	105.5	165.7	-174.9	-29.3	0	0	0	108.5	F623 D624 L625	N621-F623 PolarHBondContact O-N 2.97Å; N621-F623 WeakPolarHBondContact OD1-CB 3.36Å; N621-F623 PolarHBondContact OD1-N 2.96Å; N621-F623 VanDerWaalsContact OD1-N 3.12Å; N621-D624 HydrophobicContact CB-CB 4.47Å; N621-D624 PolarHBondContact O-N 2.98Å; N621-D624 PolarHBondContact OD1-N 2.92Å; N621-L625 WeakPolarHBondContact O-CB 3.48Å; N621-L625 PolarHBondContact O-N 2.68Å; N621-L625 VanDerWaalsContact O-N 3.14Å
622	P	86.8	Confident	87.7	Confident	1 Å²	1	54 Å²	54	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-29.8	-172.6	28	-35.5	0	0	0	112.5	Y615 I620 N626 Y761 L764	Y615-P622 HydrophobicContact CD1-CG 4.04Å; Y615-P622 VanDerWaalsContact CE1-CD 3.49Å; Y615-P622 HydrophobicContact CE1-CG 3.47Å; Y615-P622 VanDerWaalsContact CE1-CG 3.47Å; Y615-P622 HydrophobicContact CE2-CG 4.37Å; I620-P622 VanDerWaalsContact O-CD 3.22Å; I620-P622 WeakPolarHBondContact O-CD 3.45Å; P622-N626 WeakPolarHBondContact O-CB 3.41Å; P622-N626 PolarHBondContact O-N 2.89Å; P622-Y761 HydrophobicContact CB-CD1 4Å; P622-Y761 HydrophobicContact CB-CE1 4.09Å; P622-Y761 HydrophobicContact CG-CD1 4.22Å; P622-Y761 HydrophobicContact CG-CE1 3.98Å; P622-Y761 HydrophobicContact CG-CE2 4.41Å; P622-L764 HydrophobicContact CB-CD1 3.71Å; P622-L764 HydrophobicContact CB-CG 4.49Å
623	F	86.3	Confident	87.5	Confident	128 Å²	128	51.7 Å²	51.7	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-67.1	-50.2	-179.7	-177.4	-98.8	0	0	0	111.9	N621 L625 N626 L627	N621-F623 PolarHBondContact O-N 2.97Å; N621-F623 WeakPolarHBondContact OD1-CB 3.36Å; N621-F623 PolarHBondContact OD1-N 2.96Å; N621-F623 VanDerWaalsContact OD1-N 3.12Å; F623-L625 PolarHBondContact O-N 3.01Å; F623-N626 PolarHBondContact O-N 3.49Å; F623-L627 HydrophobicContact CD1-CD1 3.91Å; F623-L627 HydrophobicContact CE1-CD1 3.41Å; F623-L627 VanDerWaalsContact CE1-CD1 3.41Å; F623-L627 HydrophobicContact CE1-CG 4.36Å; F623-L627 HydrophobicContact CZ-CD1 3.79Å; F623-L627 HydrophobicContact CZ-CG 4.47Å; F623-L627 WeakPolarHBondContact O-CG 3.18Å; F623-L627 PolarHBondContact O-N 2.81Å
624	D	86.3	Confident	87.5	Confident	61 Å²	61	55.3 Å²	55.3	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-39.8	178	-179.7	42.7	0	0	0	111.5	N621 L627 K628	N621-D624 HydrophobicContact CB-CB 4.47Å; N621-D624 PolarHBondContact O-N 2.98Å; N621-D624 PolarHBondContact OD1-N 2.92Å; D624-L627 PolarHBondContact O-N 2.85Å; D624-K628 WeakPolarHBondContact O-CG 3.29Å; D624-K628 PolarHBondContact O-N 3.38Å; D624-K628 WeakPolarHBondContact OD1-CE 3.41Å; D624-K628 IonicContact OD1-NZ 3.79Å; D624-K628 VanDerWaalsContact OD2-CE 3.24Å; D624-K628 WeakPolarHBondContact OD2-CE 3.48Å; D624-K628 IonicContact OD2-NZ 3.29Å; D624-K628 PolarHBondContact OD2-NZ 3.33Å
625	L	85.8	Confident	87.4	Confident	16 Å²	16	61.4 Å²	61.4	8%	0.084	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-43.1	179.7	-160.2	140.7	0	0	0	111.5	I620 N621 F623 L627 K628 L629 I727 I731 L764	I620-L625 HydrophobicContact CG2-CB 4.46Å; I620-L625 HydrophobicContact CG2-CD1 3.84Å; N621-L625 WeakPolarHBondContact O-CB 3.48Å; N621-L625 PolarHBondContact O-N 2.68Å; N621-L625 VanDerWaalsContact O-N 3.14Å; F623-L625 PolarHBondContact O-N 3.01Å; L625-L627 PolarHBondContact O-N 3.04Å; L625-K628 PolarHBondContact O-N 2.86Å; L625-L629 WeakPolarHBondContact O-CB 3.19Å; L625-L629 PolarHBondContact O-N 3.35Å; L625-I727 HydrophobicContact CD1-CG2 4.35Å; L625-I727 HydrophobicContact CD2-CG2 3.73Å; L625-I727 HydrophobicContact CG-CG2 3.91Å; L625-I731 HydrophobicContact CD1-CG1 4.44Å; L625-I731 HydrophobicContact CD2-CD1 3.93Å; L625-I731 HydrophobicContact CD2-CG1 4.29Å; L625-L764 HydrophobicContact CB-CD1 4.3Å; L625-L764 HydrophobicContact CD2-CD1 3.91Å; L625-L764 HydrophobicContact CD2-CD2 3.44Å; L625-L764 VanDerWaalsContact CD2-CD2 3.44Å; L625-L764 HydrophobicContact CD2-CG 4.3Å
626	N	85.7	Confident	87.3	Confident	23 Å²	23	60.8 Å²	60.8	12%	0.123	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-39.1	175.5	-166.2	-15.9	0	0	0	112	P622 F623 K628 L629 N630 K763 L764	P622-N626 WeakPolarHBondContact O-CB 3.41Å; P622-N626 PolarHBondContact O-N 2.89Å; F623-N626 PolarHBondContact O-N 3.49Å; N626-K628 PolarHBondContact O-N 2.98Å; N626-L629 PolarHBondContact O-N 3.22Å; N626-N630 WeakPolarHBondContact O-CB 3.36Å; N626-N630 PolarHBondContact O-N 3.13Å; N626-N630 PolarHBondContact O-ND2 3.17Å; N626-N630 PolarHBondContact OD1-ND2 3.42Å; N626-K763 VanDerWaalsContact ND2-CB 3.28Å; N626-K763 WeakPolarHBondContact ND2-CB 3.47Å; N626-K763 WeakPolarHBondContact ND2-CD 3.28Å; N626-L764 HydrophobicContact CB-CD2 4.02Å
627	L	86.4	Confident	87.4	Confident	72 Å²	72	60.3 Å²	60.3	38%	0.377	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-37.6	173.7	-75.3	178	0	0	0	112.9	F623 D624 L625 R631	F623-L627 HydrophobicContact CD1-CD1 3.91Å; F623-L627 HydrophobicContact CE1-CD1 3.41Å; F623-L627 VanDerWaalsContact CE1-CD1 3.41Å; F623-L627 HydrophobicContact CE1-CG 4.36Å; F623-L627 HydrophobicContact CZ-CD1 3.79Å; F623-L627 HydrophobicContact CZ-CG 4.47Å; F623-L627 WeakPolarHBondContact O-CG 3.18Å; F623-L627 PolarHBondContact O-N 2.81Å; D624-L627 PolarHBondContact O-N 2.85Å; L625-L627 PolarHBondContact O-N 3.04Å; L627-R631 WeakPolarHBondContact O-CB 3.41Å; L627-R631 VanDerWaalsContact O-CG 3.27Å; L627-R631 WeakPolarHBondContact O-CG 3.35Å; L627-R631 PolarHBondContact O-N 2.9Å; L627-R631 VanDerWaalsContact O-N 3.14Å; L627-R631 PolarHBondContact O-NE 3.21Å
628	K	85.6	Confident	87.5	Confident	94 Å²	94	66.6 Å²	66.6	41%	0.409	32%	0.32	S	S	.	.	H	α-helix	trans	-68	-44.5	174.5	-74.8	168.6	177	164.6	0	110.9	D624 L625 N626 R631 C632 I727	D624-K628 WeakPolarHBondContact O-CG 3.29Å; D624-K628 PolarHBondContact O-N 3.38Å; D624-K628 WeakPolarHBondContact OD1-CE 3.41Å; D624-K628 IonicContact OD1-NZ 3.79Å; D624-K628 VanDerWaalsContact OD2-CE 3.24Å; D624-K628 WeakPolarHBondContact OD2-CE 3.48Å; D624-K628 IonicContact OD2-NZ 3.29Å; D624-K628 PolarHBondContact OD2-NZ 3.33Å; L625-K628 PolarHBondContact O-N 2.86Å; N626-K628 PolarHBondContact O-N 2.98Å; K628-R631 PolarHBondContact O-N 3.31Å; K628-C632 PolarHBondContact O-N 3.01Å; K628-I727 HydrophobicContact CB-CD1 4.24Å
629	L	85.8	Confident	87.6	Confident	28 Å²	28	66.6 Å²	66.6	15%	0.147	32%	0.32	C	S	.	.	H	α-helix	trans	-56.9	-52.8	176.6	-163.6	98.3	0	0	0	111	L625 N626 R631 C632 L633 L724 I727	L625-L629 WeakPolarHBondContact O-CB 3.19Å; L625-L629 PolarHBondContact O-N 3.35Å; N626-L629 PolarHBondContact O-N 3.22Å; L629-R631 VanDerWaalsContact C-N 3.34Å; L629-R631 PolarHBondContact O-N 3.47Å; L629-C632 PolarHBondContact O-N 3.48Å; L629-L633 HydrophobicContact CD2-CD1 3.97Å; L629-L633 HydrophobicContact CG-CD1 4.05Å; L629-L633 WeakPolarHBondContact O-CB 3.38Å; L629-L633 WeakPolarHBondContact O-CG 3.43Å; L629-L633 PolarHBondContact O-N 3.13Å; L629-L724 HydrophobicContact CD1-CD1 3.51Å; L629-L724 HydrophobicContact CG-CD1 4.03Å; L629-I727 HydrophobicContact CD1-CG2 4.14Å
630	N	87.8	Confident	87.6	Confident	69 Å²	69	66.6 Å²	66.6	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-35	-179.7	-71.7	-29.4	0	0	0	113	N626 N634	N626-N630 WeakPolarHBondContact O-CB 3.36Å; N626-N630 PolarHBondContact O-N 3.13Å; N626-N630 PolarHBondContact O-ND2 3.17Å; N626-N630 PolarHBondContact OD1-ND2 3.42Å; N630-N634 WeakPolarHBondContact O-CB 3.35Å; N630-N634 PolarHBondContact O-N 3.19Å; N630-N634 PolarHBondContact O-ND2 3Å
631	R	88	Confident	87.7	Confident	149 Å²	149	70.2 Å²	70.2	56%	0.562	32%	0.323	S	S	*	.	H	α-helix	trans	-64.7	-45.5	174.3	-81.6	179.8	-83.7	168.5	-9.5	111.7	L627 K628 L629 R635	L627-R631 WeakPolarHBondContact O-CB 3.41Å; L627-R631 VanDerWaalsContact O-CG 3.27Å; L627-R631 WeakPolarHBondContact O-CG 3.35Å; L627-R631 PolarHBondContact O-N 2.9Å; L627-R631 VanDerWaalsContact O-N 3.14Å; L627-R631 PolarHBondContact O-NE 3.21Å; K628-R631 PolarHBondContact O-N 3.31Å; L629-R631 VanDerWaalsContact C-N 3.34Å; L629-R631 PolarHBondContact O-N 3.47Å; R631-R635 WeakPolarHBondContact O-CB 3.34Å; R631-R635 PolarHBondContact O-N 2.94Å; R631-R635 VanDerWaalsContact O-N 3.11Å
632	C	85.5	Confident	87.5	Confident	9 Å²	9	70.1 Å²	70.1	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-49.3	175.6	-72	0	0	0	0	111	K628 L629 N634 R635 I636	K628-C632 PolarHBondContact O-N 3.01Å; L629-C632 PolarHBondContact O-N 3.48Å; C632-N634 PolarHBondContact O-N 3.36Å; C632-R635 PolarHBondContact O-N 3.45Å; C632-I636 VanDerWaalsContact O-CG1 3.31Å; C632-I636 WeakPolarHBondContact O-CG1 3.32Å; C632-I636 PolarHBondContact O-N 2.95Å
633	L	88.1	Confident	87.3	Confident	58 Å²	58	71 Å²	71	30%	0.304	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-44.1	179.9	-71.6	172.6	0	0	0	112.7	L629 R635 I636 K637 L724	L629-L633 HydrophobicContact CD2-CD1 3.97Å; L629-L633 HydrophobicContact CG-CD1 4.05Å; L629-L633 WeakPolarHBondContact O-CB 3.38Å; L629-L633 WeakPolarHBondContact O-CG 3.43Å; L629-L633 PolarHBondContact O-N 3.13Å; L633-R635 VanDerWaalsContact C-N 3.31Å; L633-R635 PolarHBondContact O-N 3.23Å; L633-I636 PolarHBondContact O-N 2.87Å; L633-K637 WeakPolarHBondContact O-CG 3.29Å; L633-K637 PolarHBondContact O-N 3.07Å; L633-L724 HydrophobicContact CD2-CD2 3.88Å
634	N	91.4	Very high	87	Confident	86 Å²	86	72.4 Å²	72.4	46%	0.46	33%	0.328	S	S	.	.	H	α-helix	trans	-66.7	-33.7	178.5	-75.1	-19.5	0	0	0	112.3	N630 C632 R638	N630-N634 WeakPolarHBondContact O-CB 3.35Å; N630-N634 PolarHBondContact O-N 3.19Å; N630-N634 PolarHBondContact O-ND2 3Å; C632-N634 PolarHBondContact O-N 3.36Å; N634-R638 WeakPolarHBondContact O-CG 3.46Å; N634-R638 PolarHBondContact O-N 2.57Å
635	R	90.3	Very high	86.6	Confident	127 Å²	127	74.4 Å²	74.4	48%	0.479	34%	0.337	S	S	.	.	H	α-helix	trans	-72.9	-40.5	177.2	-164.6	160.4	176	97.3	3	111.6	R631 C632 L633 K637 R638 I639 E716 L720	R631-R635 WeakPolarHBondContact O-CB 3.34Å; R631-R635 PolarHBondContact O-N 2.94Å; R631-R635 VanDerWaalsContact O-N 3.11Å; C632-R635 PolarHBondContact O-N 3.45Å; L633-R635 VanDerWaalsContact C-N 3.31Å; L633-R635 PolarHBondContact O-N 3.23Å; R635-K637 PolarHBondContact O-N 3.21Å; R635-R638 PolarHBondContact O-N 2.97Å; R635-I639 HydrophobicContact CG-CD1 4.3Å; R635-I639 WeakPolarHBondContact O-CG1 3.17Å; R635-I639 PolarHBondContact O-N 3.14Å; R635-E716 IonicContact CZ-OE1 2.74Å; R635-E716 IonicContact NE-OE1 3.93Å; R635-E716 PolarHBondContact NE-OE1 3.24Å; R635-E716 IonicContact NH2-OE1 2.65Å; R635-E716 PolarHBondContact NH2-OE1 3.46Å; R635-E716 IonicContact NH2-OE2 3.69Å; R635-L720 HydrophobicContact CB-CD1 3.94Å; R635-L720 HydrophobicContact CG-CD1 3.73Å
636	I	89.5	Confident	85.9	Confident	15 Å²	15	74.2 Å²	74.2	8%	0.077	34%	0.338	C	S	.	.	H	α-helix	trans	-56.8	-50.4	170.9	-68.5	165.1	0	0	0	110.2	C632 L633 R638 I639 E640 R717 L720 I721	C632-I636 VanDerWaalsContact O-CG1 3.31Å; C632-I636 WeakPolarHBondContact O-CG1 3.32Å; C632-I636 PolarHBondContact O-N 2.95Å; L633-I636 PolarHBondContact O-N 2.87Å; I636-R638 VanDerWaalsContact C-N 3.31Å; I636-R638 PolarHBondContact O-N 3.49Å; I636-I639 PolarHBondContact O-N 3.48Å; I636-E640 HydrophobicContact CG2-CG 4.45Å; I636-E640 WeakPolarHBondContact O-CG 3.35Å; I636-E640 PolarHBondContact O-N 3.36Å; I636-R717 HydrophobicContact CG2-CG 4.36Å; I636-L720 HydrophobicContact CD1-CB 4.02Å; I636-L720 HydrophobicContact CG1-CB 3.74Å; I636-L720 HydrophobicContact CG1-CD1 4.2Å; I636-I721 HydrophobicContact CD1-CG1 3.97Å
637	K	91.4	Very high	84.8	Confident	125 Å²	125	76.1 Å²	76.1	54%	0.543	35%	0.353	S	S	.	.	H	α-helix	trans	-58.4	-38.8	177.6	-74	177.2	-178.7	179.6	0	113.3	L633 R635 N641	L633-K637 WeakPolarHBondContact O-CG 3.29Å; L633-K637 PolarHBondContact O-N 3.07Å; R635-K637 PolarHBondContact O-N 3.21Å; K637-N641 PolarHBondContact O-N 3.33Å
638	R	89.8	Confident	83.5	Confident	178 Å²	178	78.5 Å²	78.5	67%	0.672	36%	0.362	S	S	*	.	H	α-helix	trans	-66.6	-44.9	176.3	-76.8	178.2	-173.9	179	2.2	111.9	N634 R635 I636 E640 N641 I642	N634-R638 WeakPolarHBondContact O-CG 3.46Å; N634-R638 PolarHBondContact O-N 2.57Å; R635-R638 PolarHBondContact O-N 2.97Å; I636-R638 VanDerWaalsContact C-N 3.31Å; I636-R638 PolarHBondContact O-N 3.49Å; R638-E640 VanDerWaalsContact C-N 3.33Å; R638-N641 PolarHBondContact O-N 3.02Å; R638-I642 WeakPolarHBondContact O-CG1 3.47Å; R638-I642 PolarHBondContact O-N 3.5Å
639	I	89.1	Confident	81.9	Confident	6 Å²	6	76.2 Å²	76.2	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-61.8	-45	177.5	-67.1	167.8	0	0	0	109.9	R635 I636 N641 I642 L643 L713 E716 R717 L720	R635-I639 HydrophobicContact CG-CD1 4.3Å; R635-I639 WeakPolarHBondContact O-CG1 3.17Å; R635-I639 PolarHBondContact O-N 3.14Å; I636-I639 PolarHBondContact O-N 3.48Å; I639-N641 VanDerWaalsContact C-N 3.32Å; I639-N641 PolarHBondContact O-N 2.7Å; I639-I642 PolarHBondContact O-N 3.16Å; I639-L643 HydrophobicContact CG2-CD1 3.8Å; I639-L643 HydrophobicContact CG2-CG 4.26Å; I639-L643 WeakPolarHBondContact O-CB 3.36Å; I639-L643 VanDerWaalsContact O-CG 3.32Å; I639-L643 WeakPolarHBondContact O-CG 3.15Å; I639-L643 PolarHBondContact O-N 3.08Å; I639-L713 HydrophobicContact CG1-CD2 4.27Å; I639-L713 HydrophobicContact CG2-CB 4.03Å; I639-L713 HydrophobicContact CG2-CD2 4.44Å; I639-E716 HydrophobicContact CD1-CB 4.2Å; I639-E716 HydrophobicContact CD1-CG 4Å; I639-R717 HydrophobicContact CG2-CB 4.13Å; I639-L720 HydrophobicContact CD1-CD1 3.84Å
640	E	86	Confident	80	Confident	62 Å²	62	79.9 Å²	79.9	29%	0.29	38%	0.375	S	S	.	.	H	α-helix	trans	-58.2	-43	175.4	-75.2	178.3	-179.3	0	0	112.4	I636 R638 L643 R644	I636-E640 HydrophobicContact CG2-CG 4.45Å; I636-E640 WeakPolarHBondContact O-CG 3.35Å; I636-E640 PolarHBondContact O-N 3.36Å; R638-E640 VanDerWaalsContact C-N 3.33Å; E640-L643 PolarHBondContact O-N 3.38Å; E640-R644 WeakPolarHBondContact O-CB 3.48Å; E640-R644 WeakPolarHBondContact O-CG 3.49Å; E640-R644 PolarHBondContact O-N 3.5Å
641	N	87.1	Confident	77.9	Confident	91 Å²	91	81.9 Å²	81.9	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-65.5	-40	176.6	-80.8	-6.4	0	0	0	112.7	K637 R638 I639 R644 L645	K637-N641 PolarHBondContact O-N 3.33Å; R638-N641 PolarHBondContact O-N 3.02Å; I639-N641 VanDerWaalsContact C-N 3.32Å; I639-N641 PolarHBondContact O-N 2.7Å; N641-R644 PolarHBondContact O-N 2.62Å; N641-L645 WeakPolarHBondContact O-CB 3.37Å; N641-L645 VanDerWaalsContact O-CG 3.3Å; N641-L645 WeakPolarHBondContact O-CG 3.28Å; N641-L645 PolarHBondContact O-N 2.92Å
642	I	85.8	Confident	75.7	Confident	75 Å²	75	81.2 Å²	81.2	39%	0.385	39%	0.392	S	S	.	.	H	α-helix	trans	-64.6	-45.5	176.5	-66.7	163.9	0	0	0	110.4	R638 I639 R644 L645 S646 L705 L713	R638-I642 WeakPolarHBondContact O-CG1 3.47Å; R638-I642 PolarHBondContact O-N 3.5Å; I639-I642 PolarHBondContact O-N 3.16Å; I642-R644 PolarHBondContact O-N 2.65Å; I642-L645 PolarHBondContact O-N 3Å; I642-S646 WeakPolarHBondContact O-CB 3.41Å; I642-S646 PolarHBondContact O-N 3.16Å; I642-L705 HydrophobicContact CG2-CD1 4.16Å; I642-L713 HydrophobicContact CB-CD1 4.41Å; I642-L713 HydrophobicContact CG2-CD1 3.69Å
643	L	82.5	Confident	73.2	Confident	19 Å²	19	88.7 Å²	88.7	10%	0.099	43%	0.427	C	S	.	.	H	α-helix	trans	-59.8	-46.9	177.1	-70.7	171.7	0	0	0	110.5	I639 E640 S646 S647 K710 L713 E714	I639-L643 HydrophobicContact CG2-CD1 3.8Å; I639-L643 HydrophobicContact CG2-CG 4.26Å; I639-L643 WeakPolarHBondContact O-CB 3.36Å; I639-L643 VanDerWaalsContact O-CG 3.32Å; I639-L643 WeakPolarHBondContact O-CG 3.15Å; I639-L643 PolarHBondContact O-N 3.08Å; E640-L643 PolarHBondContact O-N 3.38Å; L643-S646 PolarHBondContact O-N 3.45Å; L643-S646 PolarHBondContact O-OG 2.9Å; L643-S647 PolarHBondContact O-N 3.06Å; L643-S647 PolarHBondContact O-OG 2.83Å; L643-S647 VanDerWaalsContact O-OG 3.04Å; L643-K710 HydrophobicContact CD2-CG 4.17Å; L643-L713 HydrophobicContact CD2-CB 4.24Å; L643-L713 HydrophobicContact CD2-CD1 4.4Å; L643-E714 HydrophobicContact CD1-CG 3.9Å; L643-E714 HydrophobicContact CD2-CG 4.24Å
644	R	80	Confident	70.8	Confident	158 Å²	158	92.4 Å²	92.4	60%	0.596	45%	0.445	S	S	*	.	H	α-helix	trans	-58.6	-47.5	175.7	-74.1	174.3	-171.6	-168.6	4.9	112.7	E640 N641 I642 S646 S647 Q648	E640-R644 WeakPolarHBondContact O-CB 3.48Å; E640-R644 WeakPolarHBondContact O-CG 3.49Å; E640-R644 PolarHBondContact O-N 3.5Å; N641-R644 PolarHBondContact O-N 2.62Å; I642-R644 PolarHBondContact O-N 2.65Å; R644-S646 PolarHBondContact O-N 3.44Å; R644-S647 PolarHBondContact O-N 3.2Å; R644-Q648 PolarHBondContact O-N 3.36Å; R644-Q648 VanDerWaalsContact O-N 3.15Å
645	L	77.3	Confident	68	Low	102 Å²	102	94.9 Å²	94.9	53%	0.534	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-37.8	-179.8	-74.3	171	0	0	0	112.6	N641 I642 S647 Q648 S649	N641-L645 WeakPolarHBondContact O-CB 3.37Å; N641-L645 VanDerWaalsContact O-CG 3.3Å; N641-L645 WeakPolarHBondContact O-CG 3.28Å; N641-L645 PolarHBondContact O-N 2.92Å; I642-L645 PolarHBondContact O-N 3Å; L645-S647 VanDerWaalsContact C-N 3.28Å; L645-S647 PolarHBondContact O-N 3.15Å; L645-Q648 PolarHBondContact O-N 3.3Å; L645-S649 PolarHBondContact O-N 3.45Å; L645-S649 PolarHBondContact O-OG 3.18Å
646	S	70.6	Confident	65.1	Low	13 Å²	13	98 Å²	98	9%	0.091	48%	0.475	C	S	.	.	H	α-helix	trans	-69.4	-26.6	178.1	78.1	0	0	0	0	113.1	I642 L643 R644 S649 K710	I642-S646 WeakPolarHBondContact O-CB 3.41Å; I642-S646 PolarHBondContact O-N 3.16Å; L643-S646 PolarHBondContact O-N 3.45Å; L643-S646 PolarHBondContact O-OG 2.9Å; R644-S646 PolarHBondContact O-N 3.44Å; S646-S649 PolarHBondContact O-OG 2.91Å; S646-K710 WeakPolarHBondContact OG-CE 3.36Å; S646-K710 PolarHBondContact OG-NZ 3.11Å
647	S	63.8	Low	62.2	Low	62 Å²	62	101 Å²	101	43%	0.434	50%	0.498	S	S	.	.	H	α-helix	trans	-71	-43.8	171	-52.2	0	0	0	0	110.3	L643 R644 L645 S649 M650	L643-S647 PolarHBondContact O-N 3.06Å; L643-S647 PolarHBondContact O-OG 2.83Å; L643-S647 VanDerWaalsContact O-OG 3.04Å; R644-S647 PolarHBondContact O-N 3.2Å; L645-S647 VanDerWaalsContact C-N 3.28Å; L645-S647 PolarHBondContact O-N 3.15Å; S647-S649 PolarHBondContact O-N 2.9Å; S647-M650 WeakPolarHBondContact O-CB 3.36Å; S647-M650 PolarHBondContact O-N 3.26Å
648	Q	58.6	Low	59.3	Low	122 Å²	122	102.3 Å²	102.3	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-66	-34.2	178.8	-76.4	-179.6	-28	0	0	114	R644 L645 M650 D651	R644-Q648 PolarHBondContact O-N 3.36Å; R644-Q648 VanDerWaalsContact O-N 3.15Å; L645-Q648 PolarHBondContact O-N 3.3Å; Q648-M650 PolarHBondContact O-N 3.48Å; Q648-D651 PolarHBondContact O-N 3.46Å
649	S	52.5	Low	56.2	Low	47 Å²	47	100.4 Å²	100.4	33%	0.329	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.2	176.7	52.5	0	0	0	0	113.7	L645 S646 S647 D651	L645-S649 PolarHBondContact O-N 3.45Å; L645-S649 PolarHBondContact O-OG 3.18Å; S646-S649 PolarHBondContact O-OG 2.91Å; S647-S649 PolarHBondContact O-N 2.9Å; S649-D651 VanDerWaalsContact C-N 3.26Å
650	M	44.7	Very low	53.3	Low	104 Å²	104	108 Å²	108	51%	0.512	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-27	174.5	-153.1	174.8	-64.7	0	0	111.3	S647 Q648 I652	S647-M650 WeakPolarHBondContact O-CB 3.36Å; S647-M650 PolarHBondContact O-N 3.26Å; Q648-M650 PolarHBondContact O-N 3.48Å; M650-I652 VanDerWaalsContact C-N 3.3Å; M650-I652 PolarHBondContact O-N 2.75Å
651	D	43.7	Very low	50.4	Low	112 Å²	112	109.2 Å²	109.2	60%	0.599	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-76.4	-16.2	-179.2	-59.5	-25.7	0	0	0	112.8	Q648 S649	Q648-D651 PolarHBondContact O-N 3.46Å; S649-D651 VanDerWaalsContact C-N 3.26Å
652	I	42.8	Very low	47.5	Very low	134 Å²	134	112.7 Å²	112.7	69%	0.687	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-83.2	-16.9	-176	-59.9	177.6	0	0	0	113.1	M650	M650-I652 VanDerWaalsContact C-N 3.3Å; M650-I652 PolarHBondContact O-N 2.75Å
653	E	32.3	Very low	44.6	Very low	167 Å²	167	117 Å²	117	78%	0.78	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-89.6	-1.2	175.4	-77.5	-169.4	161.4	0	0	114.6
654	I	37	Very low	41.8	Very low	135 Å²	135	121 Å²	121	69%	0.692	62%	0.622	S	S	*	*	S	Bend	trans	-90.5	-15.7	-178.6	-60.3	179.3	0	0	0	112.8
655	D	33.6	Very low	39.2	Very low	139 Å²	139	122.4 Å²	122.4	74%	0.743	63%	0.633	S	S	*	*			trans	-111.6	65.2	-177	-143.7	17.7	0	0	0	112.3
656	K	29	Very low	36.7	Very low	191 Å²	191	122.3 Å²	122.3	83%	0.83	64%	0.64	S	S	*	*			trans	-121.1	68.5	163.1	-77.3	-172.8	-178	170.4	0	109.3
657	S	29.1	Very low	34.5	Very low	79 Å²	79	129.8 Å²	129.8	55%	0.552	68%	0.676	S	S	*	*			trans	-155	126.2	162.8	45	0	0	0	0	108.9
658	D	29.7	Very low	32.7	Very low	153 Å²	153	135.3 Å²	135.3	82%	0.818	70%	0.695	S	S	*	*			trans	80.1	81.7	166.9	-47	-20.6	0	0	0	114.1
659	D	24.9	Very low	31.1	Very low	137 Å²	137	138 Å²	138	73%	0.733	71%	0.708	S	S	*	*				47.4	92	70.8	-147.8	13.5	0	0	0	112.8
660	H	27.9	Very low	29.7	Very low	165 Å²	165	142.7 Å²	142.7	76%	0.764	73%	0.734	S	S	*	*				177.6	97.7	129.2	-87	-51.7	0	0	0	111.4
661	S	25.4	Very low	29.1	Very low	88 Å²	88	142.9 Å²	142.9	62%	0.615	74%	0.743	S	S	*	*			trans	22.9	110	134.6	58.1	0	0	0	0	119.1
662	N	25.9	Very low	28.3	Very low	165 Å²	165	145.3 Å²	145.3	88%	0.882	76%	0.756	S	S	*	*				-153.9	91.5	125.3	-90.5	-26.9	0	0	0	109.6
663	E	25.6	Very low	27.7	Very low	164 Å²	164	143.6 Å²	143.6	77%	0.766	75%	0.754	S	S	*	*			trans	-12.8	143.1	131.4	-74.1	-170.6	159	0	0	114.5
664	I	24.6	Very low	27.6	Very low	105 Å²	105	142.3 Å²	142.3	54%	0.538	75%	0.752	S	S	.	*			cis	176.3	154.1	26.3	-113.7	168.8	0	0	0	107
665	K	24.4	Very low	27.2	Very low	187 Å²	187	144.1 Å²	144.1	81%	0.813	76%	0.757	S	S	*	*			trans	68.2	142.6	160.5	-75.9	156.6	-156.9	170.5	0	116.5
666	S	24.3	Very low	27	Very low	99 Å²	99	141.9 Å²	141.9	69%	0.692	76%	0.758	S	S	*	*			cis	174.6	134.2	2.4	43.9	0	0	0	0	105
667	M	25.4	Very low	26.8	Very low	171 Å²	171	137.7 Å²	137.7	84%	0.842	75%	0.753	S	S	*	*			trans	170.2	92.5	150.2	-98.4	160.5	169.5	0	0	106.4
668	E	24.7	Very low	26.6	Very low	178 Å²	178	140.2 Å²	140.2	83%	0.832	76%	0.76	S	S	*	*				90.1	95.8	95.2	-90.9	179.6	164.6	0	0	110.4
669	E	25.1	Very low	26.5	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	76%	0.756	S	S	*	*			trans	-66.8	136.8	165.4	-63.4	171.4	149.3	0	0	109.9
670	T	24.4	Very low	26.5	Very low	145 Å²	145	140.4 Å²	140.4	89%	0.89	76%	0.756	S	S	*	*			trans	-121	104.5	148.7	43.9	0	0	0	0	108.6
671	P	31.3	Very low	26.5	Very low	107 Å²	107	141.2 Å²	141.2	70%	0.695	76%	0.76	S	S	*	*			trans	-90.8	125.9	169.3	31.3	-23.7	0	0	0	109.3
672	D	27	Very low	26.6	Very low	163 Å²	163	145.6 Å²	145.6	87%	0.872	77%	0.771	S	S	*	*			trans	-98.2	145.7	168.7	-104.1	-10.3	0	0	0	111.1
673	P	31	Very low	26.7	Very low	99 Å²	99	147.6 Å²	147.6	64%	0.643	77%	0.771	S	S	*	*			trans	-113.6	-155.4	-143.5	26.9	-4.1	0	0	0	109.7
674	L	30.4	Very low	27	Very low	140 Å²	140	144.6 Å²	144.6	73%	0.733	77%	0.768	S	S	*	*			trans	104.6	123.2	172	-51.8	164.5	0	0	0	111.9
675	E	26.9	Very low	27.6	Very low	173 Å²	173	146.3 Å²	146.3	81%	0.808	78%	0.778	S	S	*	*			cis	178.6	137.1	0.8	-122	168.8	-170.5	0	0	104.5
676	A	30	Very low	28.1	Very low	92 Å²	92	144.6 Å²	144.6	76%	0.76	78%	0.778	S	S	*	*			trans	160.1	92.4	146	0	0	0	0	0	111.9
677	S	24.4	Very low	28.6	Very low	103 Å²	103	146 Å²	146	72%	0.72	78%	0.777	S	S	*	*			trans	5.3	123.9	134.6	53.1	0	0	0	0	119.6
678	N	26.1	Very low	29.3	Very low	132 Å²	132	142.8 Å²	142.8	71%	0.706	76%	0.76	S	S	*	*				161.5	134.3	96.7	-105.4	2.5	0	0	0	114.2
679	E	26.7	Very low	29.9	Very low	156 Å²	156	140 Å²	140	73%	0.729	75%	0.751	S	S	*	*			trans	67.3	114.8	136.9	-63.9	179.1	171.9	0	0	123.3
680	N	25	Very low	30.5	Very low	138 Å²	138	140 Å²	140	74%	0.738	75%	0.745	S	S	*	*				39	112.9	129.2	-66.8	-18.6	0	0	0	120.4
681	H	27.5	Very low	31.2	Very low	181 Å²	181	139.1 Å²	139.1	84%	0.838	73%	0.729	S	S	*	*				171.3	139.3	109.8	-95.6	-69.2	0	0	0	112.7
682	Q	27.3	Very low	31.7	Very low	181 Å²	181	139.7 Å²	139.7	85%	0.846	72%	0.72	S	S	*	*			trans	-56.3	134.4	171.3	-67.9	154.1	-40.3	0	0	113.1
683	K	28.1	Very low	32.2	Very low	207 Å²	207	140.5 Å²	140.5	90%	0.9	71%	0.711	S	S	*	*			trans	-177.8	115	133.4	-103.7	166.2	-175.9	177.2	0	112.7
684	S	33.3	Very low	32.7	Very low	101 Å²	101	142.9 Å²	142.9	71%	0.706	71%	0.711	S	S	*	*			trans	56.5	108.7	137.3	-168.4	0	0	0	0	119.1	L686	S684-L686 PolarHBondContact O-N 2.92Å
685	N	35.5	Very low	33.2	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	24.1	-178.5	-77.9	-10.9	0	0	0	118.5
686	L	36	Very low	33.8	Very low	152 Å²	152	140.3 Å²	140.3	80%	0.796	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-19	175.3	-121.9	87.4	0	0	0	114.3	S684	S684-L686 PolarHBondContact O-N 2.92Å
687	N	35.3	Very low	34	Very low	128 Å²	128	140.3 Å²	140.3	68%	0.684	68%	0.679	S	S	*	*	S	Bend	trans	-94.9	-16.8	-177.6	-92.8	-11.5	0	0	0	115	N689 Y690 F691	N687-N689 VanDerWaalsContact C-N 3.3Å; N687-N689 PolarHBondContact O-N 2.88Å; N687-Y690 PolarHBondContact O-N 3.13Å; N687-F691 PolarHBondContact O-N 3.46Å
688	E	38.8	Very low	34.7	Very low	103 Å²	103	142.6 Å²	142.6	48%	0.481	68%	0.678	S	S	.	*	H	α-helix	trans	-66.8	-34.5	-179.5	-152.8	-167.3	145.6	0	0	111.4	F691 K692	E688-F691 PolarHBondContact O-N 2.91Å; E688-K692 VanDerWaalsContact O-CB 3.26Å; E688-K692 WeakPolarHBondContact O-CB 3.44Å; E688-K692 PolarHBondContact O-N 3.22Å; E688-K692 WeakPolarHBondContact OE1-CE 3.3Å; E688-K692 IonicContact OE1-NZ 2.75Å; E688-K692 PolarHBondContact OE1-NZ 2.84Å
689	N	38.2	Very low	35.4	Very low	121 Å²	121	143.6 Å²	143.6	65%	0.647	68%	0.677	S	S	*	*	H	α-helix	trans	-71.1	-30.6	175.6	-87.2	-15.1	0	0	0	113	N687 R693	N687-N689 VanDerWaalsContact C-N 3.3Å; N687-N689 PolarHBondContact O-N 2.88Å; N689-R693 WeakPolarHBondContact O-CB 3.5Å; N689-R693 PolarHBondContact O-N 3.35Å
690	Y	37.3	Very low	36	Very low	177 Å²	177	141.7 Å²	141.7	69%	0.694	67%	0.67	S	S	*	*	H	α-helix	trans	-73.2	-38.6	174.6	-154.7	-92.8	0	0	0	111.2	N687 R693 K694	N687-Y690 PolarHBondContact O-N 3.13Å; Y690-R693 PolarHBondContact O-N 3.01Å; Y690-K694 PolarHBondContact O-N 3.22Å
691	F	40	Very low	36.6	Very low	127 Å²	127	143.6 Å²	143.6	56%	0.557	67%	0.672	S	S	*	*	H	α-helix	trans	-72.1	-42.8	176.8	-153.9	-98	0	0	0	112.1	N687 E688 R693 K694 F695	N687-F691 PolarHBondContact O-N 3.46Å; E688-F691 PolarHBondContact O-N 2.91Å; F691-R693 VanDerWaalsContact C-N 3.29Å; F691-R693 PolarHBondContact O-N 3.13Å; F691-K694 PolarHBondContact O-N 2.81Å; F691-K694 VanDerWaalsContact O-N 3.16Å; F691-F695 AromaticContact CD1-CD2 3.64Å; F691-F695 HydrophobicContact CD1-CD2 3.64Å; F691-F695 HydrophobicContact CD1-CE2 4.04Å; F691-F695 AromaticContact CE1-CD2 3.28Å; F691-F695 HydrophobicContact CE1-CD2 3.28Å; F691-F695 AromaticContact CE1-CE2 3.19Å; F691-F695 HydrophobicContact CE1-CE2 3.19Å; F691-F695 HydrophobicContact CE1-CZ 4.36Å; F691-F695 AromaticContact CZ-CD2 3.97Å; F691-F695 HydrophobicContact CZ-CD2 3.97Å; F691-F695 AromaticContact CZ-CE2 3.66Å; F691-F695 HydrophobicContact CZ-CE2 3.66Å; F691-F695 WeakPolarHBondContact O-CB 3.13Å; F691-F695 PolarHBondContact O-N 2.8Å
692	K	41.4	Very low	37.5	Very low	120 Å²	120	142.8 Å²	142.8	52%	0.522	67%	0.666	S	S	.	*	H	α-helix	trans	-57.1	-42.4	168.4	-90.9	172.3	170.6	150	0	110.6	E688 K694 F695 F696	E688-K692 VanDerWaalsContact O-CB 3.26Å; E688-K692 WeakPolarHBondContact O-CB 3.44Å; E688-K692 PolarHBondContact O-N 3.22Å; E688-K692 WeakPolarHBondContact OE1-CE 3.3Å; E688-K692 IonicContact OE1-NZ 2.75Å; E688-K692 PolarHBondContact OE1-NZ 2.84Å; K692-K694 PolarHBondContact O-N 3.04Å; K692-F695 PolarHBondContact O-N 2.91Å; K692-F696 WeakPolarHBondContact O-CA 3.2Å; K692-F696 WeakPolarHBondContact O-CB 3.41Å; K692-F696 PolarHBondContact O-N 2.93Å
693	R	37.7	Very low	38.5	Very low	180 Å²	180	140.7 Å²	140.7	68%	0.679	65%	0.654	S	S	*	*	H	α-helix	trans	-69.4	-31.2	178	-161.6	168.6	-179.1	-178.2	-1	112.8	N689 Y690 F691 N697	N689-R693 WeakPolarHBondContact O-CB 3.5Å; N689-R693 PolarHBondContact O-N 3.35Å; Y690-R693 PolarHBondContact O-N 3.01Å; F691-R693 VanDerWaalsContact C-N 3.29Å; F691-R693 PolarHBondContact O-N 3.13Å; R693-N697 WeakPolarHBondContact O-CB 3.46Å; R693-N697 PolarHBondContact O-N 2.92Å; R693-N697 PolarHBondContact O-ND2 3.39Å
694	K	40	Very low	40	Very low	148 Å²	148	136 Å²	136	64%	0.643	64%	0.639	S	S	*	*	H	α-helix	trans	-72.9	-40.9	171.7	-166.5	176.5	-178.8	-178.7	0	112.1	Y690 F691 K692 H698	Y690-K694 PolarHBondContact O-N 3.22Å; F691-K694 PolarHBondContact O-N 2.81Å; F691-K694 VanDerWaalsContact O-N 3.16Å; K692-K694 PolarHBondContact O-N 3.04Å; K694-H698 WeakPolarHBondContact O-CB 3.44Å; K694-H698 PolarHBondContact O-N 3.41Å
695	F	42.6	Very low	41.3	Very low	126 Å²	126	133.4 Å²	133.4	55%	0.553	62%	0.616	S	S	*	*	H	α-helix	trans	-67.1	-43.2	174.5	-110.8	-95.3	0	0	0	111.6	F691 K692 H698 F699	F691-F695 AromaticContact CD1-CD2 3.64Å; F691-F695 HydrophobicContact CD1-CD2 3.64Å; F691-F695 HydrophobicContact CD1-CE2 4.04Å; F691-F695 AromaticContact CE1-CD2 3.28Å; F691-F695 HydrophobicContact CE1-CD2 3.28Å; F691-F695 AromaticContact CE1-CE2 3.19Å; F691-F695 HydrophobicContact CE1-CE2 3.19Å; F691-F695 HydrophobicContact CE1-CZ 4.36Å; F691-F695 AromaticContact CZ-CD2 3.97Å; F691-F695 HydrophobicContact CZ-CD2 3.97Å; F691-F695 AromaticContact CZ-CE2 3.66Å; F691-F695 HydrophobicContact CZ-CE2 3.66Å; F691-F695 WeakPolarHBondContact O-CB 3.13Å; F691-F695 PolarHBondContact O-N 2.8Å; K692-F695 PolarHBondContact O-N 2.91Å; F695-H698 PolarHBondContact O-N 2.97Å; F695-F699 WeakPolarHBondContact O-CB 3.36Å; F695-F699 PolarHBondContact O-N 3.47Å
696	F	38.8	Very low	43.1	Very low	134 Å²	134	130.1 Å²	130.1	59%	0.588	60%	0.601	S	S	*	*	H	α-helix	trans	-68	-39.3	177.1	-159.2	-94.8	0	0	0	110.9	K692 H698 F699 I700	K692-F696 WeakPolarHBondContact O-CA 3.2Å; K692-F696 WeakPolarHBondContact O-CB 3.41Å; K692-F696 PolarHBondContact O-N 2.93Å; F696-H698 VanDerWaalsContact C-N 3.33Å; F696-H698 PolarHBondContact O-N 3.49Å; F696-F699 PolarHBondContact O-N 2.84Å; F696-I700 HydrophobicContact CD1-CG1 3.87Å; F696-I700 HydrophobicContact CE1-CD1 4.32Å; F696-I700 HydrophobicContact CE1-CG1 3.65Å; F696-I700 HydrophobicContact CG-CG1 4.45Å; F696-I700 HydrophobicContact CZ-CD1 4.33Å; F696-I700 HydrophobicContact CZ-CG1 4.04Å; F696-I700 WeakPolarHBondContact O-CB 3.29Å; F696-I700 WeakPolarHBondContact O-CG1 3.43Å; F696-I700 PolarHBondContact O-N 3.19Å
697	N	34.6	Very low	45	Very low	92 Å²	92	129.8 Å²	129.8	49%	0.492	60%	0.6	S	S	.	*	H	α-helix	trans	-71.2	-27.3	172.3	-75.9	-12.2	0	0	0	112.7	R693 K701	R693-N697 WeakPolarHBondContact O-CB 3.46Å; R693-N697 PolarHBondContact O-N 2.92Å; R693-N697 PolarHBondContact O-ND2 3.39Å; N697-K701 VanDerWaalsContact O-CB 3.22Å; N697-K701 WeakPolarHBondContact O-CB 3.47Å; N697-K701 PolarHBondContact O-N 3.07Å
698	H	39.3	Very low	47.3	Very low	151 Å²	151	129.7 Å²	129.7	70%	0.699	60%	0.599	S	S	*	*	H	α-helix	trans	-72.8	-35.6	170.9	-169.2	64.9	0	0	0	111.6	K694 F695 F696	K694-H698 WeakPolarHBondContact O-CB 3.44Å; K694-H698 PolarHBondContact O-N 3.41Å; F695-H698 PolarHBondContact O-N 2.97Å; F696-H698 VanDerWaalsContact C-N 3.33Å; F696-H698 PolarHBondContact O-N 3.49Å
699	F	41.1	Very low	49.3	Very low	153 Å²	153	127.3 Å²	127.3	67%	0.671	59%	0.588	S	S	*	*	H	α-helix	trans	-80.8	-35	-179.4	-137.8	-96.1	0	0	0	113.4	F695 F696 K702	F695-F699 WeakPolarHBondContact O-CB 3.36Å; F695-F699 PolarHBondContact O-N 3.47Å; F696-F699 PolarHBondContact O-N 2.84Å; F699-K702 WeakPolarHBondContact O-CB 3.47Å; F699-K702 PolarHBondContact O-N 3.5Å
700	I	39.3	Very low	51.4	Low	115 Å²	115	123.9 Å²	123.9	59%	0.59	57%	0.567	S	S	*	*	H	α-helix	trans	-86	-21.7	176.9	-63.7	-76.5	0	0	0	111.8	F696 K702	F696-I700 HydrophobicContact CD1-CG1 3.87Å; F696-I700 HydrophobicContact CE1-CD1 4.32Å; F696-I700 HydrophobicContact CE1-CG1 3.65Å; F696-I700 HydrophobicContact CG-CG1 4.45Å; F696-I700 HydrophobicContact CZ-CD1 4.33Å; F696-I700 HydrophobicContact CZ-CG1 4.04Å; F696-I700 WeakPolarHBondContact O-CB 3.29Å; F696-I700 WeakPolarHBondContact O-CG1 3.43Å; F696-I700 PolarHBondContact O-N 3.19Å; I700-K702 PolarHBondContact O-N 3.3Å
701	K	36.2	Very low	53.6	Low	178 Å²	178	120.3 Å²	120.3	77%	0.774	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	36	159.3	-81.3	-174.6	166.6	179	0	112.5	N697 K703	N697-K701 VanDerWaalsContact O-CB 3.22Å; N697-K701 WeakPolarHBondContact O-CB 3.47Å; N697-K701 PolarHBondContact O-N 3.07Å; K701-K703 PolarHBondContact O-N 2.68Å
702	K	47.2	Very low	55.9	Low	165 Å²	165	120.7 Å²	120.7	72%	0.717	56%	0.563	S	S	*	*			trans	-68.3	70.8	147.9	-156.4	177.1	-171.2	-176.9	0	106.8	F699 I700 L704	F699-K702 WeakPolarHBondContact O-CB 3.47Å; F699-K702 PolarHBondContact O-N 3.5Å; I700-K702 PolarHBondContact O-N 3.3Å; K702-L704 PolarHBondContact O-N 3.29Å; K702-L704 VanDerWaalsContact O-N 3.09Å
703	K	47.1	Very low	58.1	Low	137 Å²	137	116.4 Å²	116.4	60%	0.596	55%	0.546	S	S	*	.			trans	-48.1	114.9	-173.7	-173	-173.1	179.4	-157.9	0	108.1	K701 L705 E709	K701-K703 PolarHBondContact O-N 2.68Å; K703-L705 PolarHBondContact O-N 2.86Å; K703-E709 IonicContact NZ-OE1 2.71Å; K703-E709 PolarHBondContact NZ-OE1 3.36Å
704	L	60.1	Low	60.4	Low	109 Å²	109	111.9 Å²	111.9	57%	0.571	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-52.4	123.2	168.6	-146.1	96.8	0	0	0	106.5	K702 T706	K702-L704 PolarHBondContact O-N 3.29Å; K702-L704 VanDerWaalsContact O-N 3.09Å; L704-T706 PolarHBondContact O-N 3.17Å; L704-T706 VanDerWaalsContact O-N 3.15Å
705	L	60.8	Low	62.7	Low	45 Å²	45	109.5 Å²	109.5	24%	0.236	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-60.3	121.7	-177.9	-132	96.3	0	0	0	108.1	I642 K703 E709 K710 L713	I642-L705 HydrophobicContact CG2-CD1 4.16Å; K703-L705 PolarHBondContact O-N 2.86Å; L705-E709 WeakPolarHBondContact CA-OE2 3.16Å; L705-E709 HydrophobicContact CD2-CB 3.61Å; L705-E709 HydrophobicContact CG-CB 3.62Å; L705-K710 HydrophobicContact CB-CG 4.49Å; L705-K710 HydrophobicContact CD2-CB 4.38Å; L705-K710 HydrophobicContact CD2-CG 3.89Å; L705-L713 HydrophobicContact CD2-CD1 3.54Å; L705-L713 HydrophobicContact CD2-CG 4.43Å
706	T	73.7	Confident	65	Low	72 Å²	72	106.1 Å²	106.1	44%	0.442	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-63.1	153	174.2	43.1	0	0	0	0	110.2	L704 N708 E709 K710	L704-T706 PolarHBondContact O-N 3.17Å; L704-T706 VanDerWaalsContact O-N 3.15Å; T706-N708 PolarHBondContact O-N 2.93Å; T706-N708 VanDerWaalsContact O-N 3.11Å; T706-E709 PolarHBondContact N-OE2 2.86Å; T706-E709 WeakPolarHBondContact O-CB 3.35Å; T706-E709 PolarHBondContact O-N 2.98Å; T706-E709 VanDerWaalsContact OG1-CG 3.29Å; T706-E709 WeakPolarHBondContact OG1-CG 3.47Å; T706-E709 PolarHBondContact OG1-OE2 3Å; T706-K710 PolarHBondContact O-N 3.36Å; T706-K710 VanDerWaalsContact O-N 3.09Å
707	L	76.1	Confident	67.4	Low	145 Å²	145	102.8 Å²	102.8	76%	0.759	49%	0.494	S	S	*	.	H	α-helix	trans	-50.8	-39.5	-179.9	-166.6	88.3	0	0	0	112	K710 L711	L707-K710 WeakPolarHBondContact O-CB 3.33Å; L707-K710 PolarHBondContact O-N 3.41Å; L707-L711 PolarHBondContact O-N 2.7Å
708	N	82.4	Confident	70	Confident	126 Å²	126	102.2 Å²	102.2	67%	0.674	49%	0.494	S	S	*	.	H	α-helix	trans	-63.6	-41.3	177.2	-68	-7.8	0	0	0	112.6	T706 K710 L711 E712	T706-N708 PolarHBondContact O-N 2.93Å; T706-N708 VanDerWaalsContact O-N 3.11Å; N708-K710 VanDerWaalsContact C-N 3.33Å; N708-K710 PolarHBondContact O-N 3.42Å; N708-L711 PolarHBondContact O-N 3.34Å; N708-E712 WeakPolarHBondContact O-CB 3.35Å; N708-E712 PolarHBondContact O-N 3.19Å
709	E	82.3	Confident	72.4	Confident	53 Å²	53	101.4 Å²	101.4	25%	0.248	49%	0.489	C	S	.	.	H	α-helix	trans	-66.5	-35	176.2	-70.2	165.2	158.5	0	0	111.2	K703 L705 T706 E712 L713	K703-E709 IonicContact NZ-OE1 2.71Å; K703-E709 PolarHBondContact NZ-OE1 3.36Å; L705-E709 WeakPolarHBondContact CA-OE2 3.16Å; L705-E709 HydrophobicContact CD2-CB 3.61Å; L705-E709 HydrophobicContact CG-CB 3.62Å; T706-E709 PolarHBondContact N-OE2 2.86Å; T706-E709 WeakPolarHBondContact O-CB 3.35Å; T706-E709 PolarHBondContact O-N 2.98Å; T706-E709 VanDerWaalsContact OG1-CG 3.29Å; T706-E709 WeakPolarHBondContact OG1-CG 3.47Å; T706-E709 PolarHBondContact OG1-OE2 3Å; E709-E712 PolarHBondContact O-N 2.72Å; E709-L713 WeakPolarHBondContact O-CG 3.35Å; E709-L713 PolarHBondContact O-N 3.38Å
710	K	80.7	Confident	74.6	Confident	49 Å²	49	95 Å²	95	21%	0.213	46%	0.462	C	S	.	.	H	α-helix	trans	-64.2	-48.3	175.3	-95.4	-174.2	174.5	-179.6	0	111	L643 S646 L705 T706 L707 N708 E712 L713 E714	L643-K710 HydrophobicContact CD2-CG 4.17Å; S646-K710 WeakPolarHBondContact OG-CE 3.36Å; S646-K710 PolarHBondContact OG-NZ 3.11Å; L705-K710 HydrophobicContact CB-CG 4.49Å; L705-K710 HydrophobicContact CD2-CB 4.38Å; L705-K710 HydrophobicContact CD2-CG 3.89Å; T706-K710 PolarHBondContact O-N 3.36Å; T706-K710 VanDerWaalsContact O-N 3.09Å; L707-K710 WeakPolarHBondContact O-CB 3.33Å; L707-K710 PolarHBondContact O-N 3.41Å; N708-K710 VanDerWaalsContact C-N 3.33Å; N708-K710 PolarHBondContact O-N 3.42Å; K710-E712 VanDerWaalsContact C-N 3.3Å; K710-E712 PolarHBondContact O-N 3.24Å; K710-L713 PolarHBondContact O-N 3.32Å; K710-E714 PolarHBondContact O-N 2.95Å
711	L	84.6	Confident	76.9	Confident	101 Å²	101	92.9 Å²	92.9	53%	0.529	45%	0.45	S	S	.	.	H	α-helix	trans	-60.5	-41.8	178.4	-175.3	66.7	0	0	0	111	L707 N708 L713 E714 M715	L707-L711 PolarHBondContact O-N 2.7Å; N708-L711 PolarHBondContact O-N 3.34Å; L711-L713 PolarHBondContact O-N 3.14Å; L711-E714 PolarHBondContact O-N 2.98Å; L711-M715 HydrophobicContact CG-SD 4.36Å; L711-M715 WeakPolarHBondContact O-CB 3.39Å; L711-M715 VanDerWaalsContact O-CG 3.28Å; L711-M715 WeakPolarHBondContact O-CG 3.43Å; L711-M715 PolarHBondContact O-N 2.88Å
712	E	88.1	Confident	79.4	Confident	136 Å²	136	90.5 Å²	90.5	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-62.6	-42	177.4	-168.6	175.8	-172.3	0	0	112.3	N708 E709 K710 M715 E716	N708-E712 WeakPolarHBondContact O-CB 3.35Å; N708-E712 PolarHBondContact O-N 3.19Å; E709-E712 PolarHBondContact O-N 2.72Å; K710-E712 VanDerWaalsContact C-N 3.3Å; K710-E712 PolarHBondContact O-N 3.24Å; E712-M715 PolarHBondContact O-N 3.02Å; E712-E716 WeakPolarHBondContact O-CB 3.45Å; E712-E716 PolarHBondContact O-N 3.11Å
713	L	87.4	Confident	81.2	Confident	29 Å²	29	88.3 Å²	88.3	15%	0.152	43%	0.432	C	S	.	.	H	α-helix	trans	-65	-41.5	174.8	-75.8	179.7	0	0	0	112.9	I639 I642 L643 L705 E709 K710 L711 M715 E716 R717	I639-L713 HydrophobicContact CG1-CD2 4.27Å; I639-L713 HydrophobicContact CG2-CB 4.03Å; I639-L713 HydrophobicContact CG2-CD2 4.44Å; I642-L713 HydrophobicContact CB-CD1 4.41Å; I642-L713 HydrophobicContact CG2-CD1 3.69Å; L643-L713 HydrophobicContact CD2-CB 4.24Å; L643-L713 HydrophobicContact CD2-CD1 4.4Å; L705-L713 HydrophobicContact CD2-CD1 3.54Å; L705-L713 HydrophobicContact CD2-CG 4.43Å; E709-L713 WeakPolarHBondContact O-CG 3.35Å; E709-L713 PolarHBondContact O-N 3.38Å; K710-L713 PolarHBondContact O-N 3.32Å; L711-L713 PolarHBondContact O-N 3.14Å; L713-M715 VanDerWaalsContact C-N 3.35Å; L713-E716 PolarHBondContact O-N 2.78Å; L713-R717 PolarHBondContact O-N 3.44Å
714	E	86.1	Confident	83	Confident	85 Å²	85	83 Å²	83	40%	0.397	41%	0.411	S	S	.	.	H	α-helix	trans	-65.1	-40.2	175.5	-73.4	-151.6	128.1	0	0	111.9	L643 K710 L711 E716 R717 T718	L643-E714 HydrophobicContact CD1-CG 3.9Å; L643-E714 HydrophobicContact CD2-CG 4.24Å; K710-E714 PolarHBondContact O-N 2.95Å; L711-E714 PolarHBondContact O-N 2.98Å; E714-E716 VanDerWaalsContact C-N 3.32Å; E714-R717 WeakPolarHBondContact O-CB 3.26Å; E714-R717 PolarHBondContact O-N 3.22Å; E714-R717 IonicContact OE1-CZ 3.89Å; E714-R717 IonicContact OE1-NH2 2.95Å; E714-R717 PolarHBondContact OE1-NH2 2.92Å; E714-T718 PolarHBondContact O-N 3.34Å; E714-T718 PolarHBondContact O-OG1 3.44Å
715	M	89.4	Confident	84.2	Confident	98 Å²	98	81.8 Å²	81.8	48%	0.483	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-35.9	172.5	-72.6	-179.1	70.7	0	0	112.4	L711 E712 L713 T718 K719	L711-M715 HydrophobicContact CG-SD 4.36Å; L711-M715 WeakPolarHBondContact O-CB 3.39Å; L711-M715 VanDerWaalsContact O-CG 3.28Å; L711-M715 WeakPolarHBondContact O-CG 3.43Å; L711-M715 PolarHBondContact O-N 2.88Å; E712-M715 PolarHBondContact O-N 3.02Å; L713-M715 VanDerWaalsContact C-N 3.35Å; M715-T718 WeakPolarHBondContact CA-OG1 3.46Å; M715-T718 PolarHBondContact O-OG1 2.9Å; M715-K719 VanDerWaalsContact O-CG 3.28Å; M715-K719 WeakPolarHBondContact O-CG 3.25Å; M715-K719 PolarHBondContact O-N 3.35Å
716	E	89.9	Confident	85.3	Confident	56 Å²	56	82.9 Å²	82.9	26%	0.262	41%	0.413	S	S	.	.	H	α-helix	trans	-67.6	-41.1	173.6	-170	-177.8	177	0	0	111.4	R635 I639 E712 L713 E714 K719 L720	R635-E716 IonicContact CZ-OE1 2.74Å; R635-E716 IonicContact NE-OE1 3.93Å; R635-E716 PolarHBondContact NE-OE1 3.24Å; R635-E716 IonicContact NH2-OE1 2.65Å; R635-E716 PolarHBondContact NH2-OE1 3.46Å; R635-E716 IonicContact NH2-OE2 3.69Å; I639-E716 HydrophobicContact CD1-CB 4.2Å; I639-E716 HydrophobicContact CD1-CG 4Å; E712-E716 WeakPolarHBondContact O-CB 3.45Å; E712-E716 PolarHBondContact O-N 3.11Å; L713-E716 PolarHBondContact O-N 2.78Å; E714-E716 VanDerWaalsContact C-N 3.32Å; E716-K719 PolarHBondContact O-N 3.25Å; E716-L720 HydrophobicContact CG-CD1 4.26Å; E716-L720 WeakPolarHBondContact O-CG 3.02Å; E716-L720 PolarHBondContact O-N 2.96Å
717	R	89.8	Confident	85.8	Confident	63 Å²	63	80 Å²	80	24%	0.238	40%	0.395	C	S	.	.	H	α-helix	trans	-60.2	-48.4	176.4	-177	-175.3	64.4	-168.3	-11.5	111.3	I636 I639 L713 E714 K719 L720 I721	I636-R717 HydrophobicContact CG2-CG 4.36Å; I639-R717 HydrophobicContact CG2-CB 4.13Å; L713-R717 PolarHBondContact O-N 3.44Å; E714-R717 WeakPolarHBondContact O-CB 3.26Å; E714-R717 PolarHBondContact O-N 3.22Å; E714-R717 IonicContact OE1-CZ 3.89Å; E714-R717 IonicContact OE1-NH2 2.95Å; E714-R717 PolarHBondContact OE1-NH2 2.92Å; R717-K719 VanDerWaalsContact C-N 3.34Å; R717-K719 PolarHBondContact O-N 2.94Å; R717-L720 PolarHBondContact O-N 2.93Å; R717-L720 VanDerWaalsContact O-N 3.14Å; R717-I721 HydrophobicContact CG-CD1 3.94Å; R717-I721 WeakPolarHBondContact O-CG1 3.28Å; R717-I721 PolarHBondContact O-N 2.89Å
718	T	87.9	Confident	86	Confident	81 Å²	81	76.7 Å²	76.7	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-62.2	-41.9	179.5	50.9	0	0	0	0	111.6	E714 M715 L720 I721 E722	E714-T718 PolarHBondContact O-N 3.34Å; E714-T718 PolarHBondContact O-OG1 3.44Å; M715-T718 WeakPolarHBondContact CA-OG1 3.46Å; M715-T718 PolarHBondContact O-OG1 2.9Å; T718-L720 VanDerWaalsContact C-N 3.31Å; T718-L720 PolarHBondContact O-N 2.97Å; T718-I721 PolarHBondContact O-N 3.22Å; T718-E722 PolarHBondContact O-N 3.39Å
719	K	90.4	Very high	86	Confident	133 Å²	133	77.8 Å²	77.8	58%	0.578	38%	0.379	S	S	*	.	H	α-helix	trans	-59.6	-38.1	172.5	-73.8	173.9	-176.9	177.2	0	113.1	M715 E716 R717 K723	M715-K719 VanDerWaalsContact O-CG 3.28Å; M715-K719 WeakPolarHBondContact O-CG 3.25Å; M715-K719 PolarHBondContact O-N 3.35Å; E716-K719 PolarHBondContact O-N 3.25Å; R717-K719 VanDerWaalsContact C-N 3.34Å; R717-K719 PolarHBondContact O-N 2.94Å; K719-K723 WeakPolarHBondContact O-CB 3.18Å; K719-K723 PolarHBondContact O-N 2.94Å
720	L	88.2	Confident	86	Confident	20 Å²	20	80.6 Å²	80.6	11%	0.105	40%	0.395	C	S	.	.	H	α-helix	trans	-71.9	-35.1	177.5	-75.9	168.6	0	0	0	112.7	R635 I636 I639 E716 R717 T718 K723 L724	R635-L720 HydrophobicContact CB-CD1 3.94Å; R635-L720 HydrophobicContact CG-CD1 3.73Å; I636-L720 HydrophobicContact CD1-CB 4.02Å; I636-L720 HydrophobicContact CG1-CB 3.74Å; I636-L720 HydrophobicContact CG1-CD1 4.2Å; I639-L720 HydrophobicContact CD1-CD1 3.84Å; E716-L720 HydrophobicContact CG-CD1 4.26Å; E716-L720 WeakPolarHBondContact O-CG 3.02Å; E716-L720 PolarHBondContact O-N 2.96Å; R717-L720 PolarHBondContact O-N 2.93Å; R717-L720 VanDerWaalsContact O-N 3.14Å; T718-L720 VanDerWaalsContact C-N 3.31Å; T718-L720 PolarHBondContact O-N 2.97Å; L720-K723 PolarHBondContact O-N 3.32Å; L720-L724 PolarHBondContact O-N 3.08Å
721	I	87.3	Confident	86.2	Confident	69 Å²	69	80 Å²	80	35%	0.354	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-46	173.9	-68	167.3	0	0	0	109.8	I636 R717 T718 K723 L724 D725	I636-I721 HydrophobicContact CD1-CG1 3.97Å; R717-I721 HydrophobicContact CG-CD1 3.94Å; R717-I721 WeakPolarHBondContact O-CG1 3.28Å; R717-I721 PolarHBondContact O-N 2.89Å; T718-I721 PolarHBondContact O-N 3.22Å; I721-K723 VanDerWaalsContact C-N 3.28Å; I721-K723 PolarHBondContact O-N 3.2Å; I721-L724 WeakPolarHBondContact O-CA 3.47Å; I721-L724 VanDerWaalsContact O-CB 3.28Å; I721-L724 WeakPolarHBondContact O-CB 3.47Å; I721-L724 PolarHBondContact O-N 3.16Å; I721-D725 PolarHBondContact O-N 3.12Å
722	E	87.5	Confident	86.2	Confident	129 Å²	129	79.8 Å²	79.8	60%	0.603	40%	0.397	S	S	*	.	H	α-helix	trans	-58.3	-42.6	174.3	-173	-178.4	-174.2	0	0	111	T718 L724 D725 T726	T718-E722 PolarHBondContact O-N 3.39Å; E722-L724 VanDerWaalsContact C-N 3.31Å; E722-L724 PolarHBondContact O-N 2.94Å; E722-D725 PolarHBondContact O-N 3.19Å; E722-T726 WeakPolarHBondContact O-CG2 3.16Å; E722-T726 PolarHBondContact O-N 3.09Å
723	K	86.4	Confident	86.2	Confident	118 Å²	118	73.5 Å²	73.5	51%	0.513	37%	0.368	S	S	.	.	H	α-helix	trans	-62.1	-36.5	173.3	-170.6	174.1	-176.8	174.5	0	112.5	K719 L720 I721 T726 I727	K719-K723 WeakPolarHBondContact O-CB 3.18Å; K719-K723 PolarHBondContact O-N 2.94Å; L720-K723 PolarHBondContact O-N 3.32Å; I721-K723 VanDerWaalsContact C-N 3.28Å; I721-K723 PolarHBondContact O-N 3.2Å; K723-T726 WeakPolarHBondContact CA-OG1 3.38Å; K723-T726 PolarHBondContact O-N 2.9Å; K723-T726 PolarHBondContact O-OG1 3.24Å; K723-I727 HydrophobicContact CG-CD1 4.41Å; K723-I727 VanDerWaalsContact O-CG1 3.3Å; K723-I727 WeakPolarHBondContact O-CG1 3.32Å; K723-I727 PolarHBondContact O-N 3Å; K723-I727 VanDerWaalsContact O-N 3.08Å
724	L	85	Confident	86.4	Confident	27 Å²	27	74.4 Å²	74.4	14%	0.141	37%	0.373	C	S	.	.	H	α-helix	trans	-65.3	-41.6	175.6	-174.1	66.6	0	0	0	111.2	L629 L633 L720 I721 E722 I727 N728	L629-L724 HydrophobicContact CD1-CD1 3.51Å; L629-L724 HydrophobicContact CG-CD1 4.03Å; L633-L724 HydrophobicContact CD2-CD2 3.88Å; L720-L724 PolarHBondContact O-N 3.08Å; I721-L724 WeakPolarHBondContact O-CA 3.47Å; I721-L724 VanDerWaalsContact O-CB 3.28Å; I721-L724 WeakPolarHBondContact O-CB 3.47Å; I721-L724 PolarHBondContact O-N 3.16Å; E722-L724 VanDerWaalsContact C-N 3.31Å; E722-L724 PolarHBondContact O-N 2.94Å; L724-I727 WeakPolarHBondContact O-CB 3.47Å; L724-I727 PolarHBondContact O-N 3.01Å; L724-I727 VanDerWaalsContact O-N 3.16Å; L724-N728 PolarHBondContact O-N 3.45Å
725	D	84.3	Confident	86.8	Confident	83 Å²	83	70.4 Å²	70.4	44%	0.444	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-41.8	175.5	-72.4	-19.6	0	0	0	111.6	I721 E722 I727 N728 Q729	I721-D725 PolarHBondContact O-N 3.12Å; E722-D725 PolarHBondContact O-N 3.19Å; D725-I727 VanDerWaalsContact C-N 3.29Å; D725-I727 PolarHBondContact O-N 3.16Å; D725-N728 PolarHBondContact O-N 3.4Å; D725-Q729 VanDerWaalsContact O-CG 3.27Å; D725-Q729 WeakPolarHBondContact O-CG 3.19Å; D725-Q729 PolarHBondContact O-N 2.93Å
726	T	84.5	Confident	87	Confident	68 Å²	68	65.7 Å²	65.7	42%	0.417	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-36.7	173.6	62.8	0	0	0	0	112.4	E722 K723 Q729 L730	E722-T726 WeakPolarHBondContact O-CG2 3.16Å; E722-T726 PolarHBondContact O-N 3.09Å; K723-T726 WeakPolarHBondContact CA-OG1 3.38Å; K723-T726 PolarHBondContact O-N 2.9Å; K723-T726 PolarHBondContact O-OG1 3.24Å; T726-Q729 PolarHBondContact O-N 2.88Å; T726-L730 WeakPolarHBondContact O-CG 3.27Å; T726-L730 PolarHBondContact O-N 3.42Å
727	I	82.5	Confident	87.2	Confident	11 Å²	11	63 Å²	63	6%	0.056	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-42.6	176.1	-68.8	165.5	0	0	0	110.6	L625 K628 L629 K723 L724 D725 Q729 L730	L625-I727 HydrophobicContact CD1-CG2 4.35Å; L625-I727 HydrophobicContact CD2-CG2 3.73Å; L625-I727 HydrophobicContact CG-CG2 3.91Å; K628-I727 HydrophobicContact CB-CD1 4.24Å; L629-I727 HydrophobicContact CD1-CG2 4.14Å; K723-I727 HydrophobicContact CG-CD1 4.41Å; K723-I727 VanDerWaalsContact O-CG1 3.3Å; K723-I727 WeakPolarHBondContact O-CG1 3.32Å; K723-I727 PolarHBondContact O-N 3Å; K723-I727 VanDerWaalsContact O-N 3.08Å; L724-I727 WeakPolarHBondContact O-CB 3.47Å; L724-I727 PolarHBondContact O-N 3.01Å; L724-I727 VanDerWaalsContact O-N 3.16Å; D725-I727 VanDerWaalsContact C-N 3.29Å; D725-I727 PolarHBondContact O-N 3.16Å; I727-Q729 VanDerWaalsContact C-N 3.29Å; I727-Q729 PolarHBondContact O-N 3.44Å; I727-L730 WeakPolarHBondContact O-CB 3.28Å; I727-L730 PolarHBondContact O-N 2.86Å; I727-L730 VanDerWaalsContact O-N 3.15Å
728	N	81.3	Confident	87.5	Confident	75 Å²	75	60.1 Å²	60.1	40%	0.401	31%	0.307	S	S	.	.	H	α-helix	trans	-64.6	-35.2	177	-73.1	-25.1	0	0	0	111.8	L724 D725 L730 I731	L724-N728 PolarHBondContact O-N 3.45Å; D725-N728 PolarHBondContact O-N 3.4Å; N728-L730 PolarHBondContact O-N 3.44Å; N728-I731 PolarHBondContact O-N 3.24Å; N728-I731 VanDerWaalsContact O-N 3.11Å
729	Q	82.8	Confident	87.8	Confident	149 Å²	149	56.2 Å²	56.2	70%	0.696	28%	0.284	S	S	*	.	H	α-helix	trans	-66.7	-22.4	174.5	-72.7	172.3	5.3	0	0	113.5	D725 T726 I727 I731	D725-Q729 VanDerWaalsContact O-CG 3.27Å; D725-Q729 WeakPolarHBondContact O-CG 3.19Å; D725-Q729 PolarHBondContact O-N 2.93Å; T726-Q729 PolarHBondContact O-N 2.88Å; I727-Q729 VanDerWaalsContact C-N 3.29Å; I727-Q729 PolarHBondContact O-N 3.44Å; Q729-I731 PolarHBondContact O-N 3.3Å
730	L	81.5	Confident	88	Confident	112 Å²	112	49.9 Å²	49.9	59%	0.586	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.1	172.6	-65.7	170	0	0	0	112.4	T726 I727 N728 T732	T726-L730 WeakPolarHBondContact O-CG 3.27Å; T726-L730 PolarHBondContact O-N 3.42Å; I727-L730 WeakPolarHBondContact O-CB 3.28Å; I727-L730 PolarHBondContact O-N 2.86Å; I727-L730 VanDerWaalsContact O-N 3.15Å; N728-L730 PolarHBondContact O-N 3.44Å; L730-T732 PolarHBondContact O-N 2.84Å
731	I	84.4	Confident	88.2	Confident	37 Å²	37	50.8 Å²	50.8	19%	0.19	26%	0.264	C	S	.	.			trans	-85.5	89.5	178.1	-54.2	173.2	0	0	0	108.4	I620 L625 N728 Q729 F733 L764 I766	I620-I731 HydrophobicContact CD1-CG1 4.47Å; L625-I731 HydrophobicContact CD1-CG1 4.44Å; L625-I731 HydrophobicContact CD2-CD1 3.93Å; L625-I731 HydrophobicContact CD2-CG1 4.29Å; N728-I731 PolarHBondContact O-N 3.24Å; N728-I731 VanDerWaalsContact O-N 3.11Å; Q729-I731 PolarHBondContact O-N 3.3Å; I731-F733 WeakPolarHBondContact CG2-O 3.41Å; I731-L764 HydrophobicContact CD1-CB 4.37Å; I731-I766 HydrophobicContact CG2-CD1 4.03Å; I731-I766 HydrophobicContact CG2-CG1 4.08Å
732	T	84.7	Confident	88.4	Confident	97 Å²	97	49.5 Å²	49.5	60%	0.595	26%	0.261	S	S	*	.			trans	-80.9	-21	-175.1	55.4	0	0	0	0	114.1	L730	L730-T732 PolarHBondContact O-N 2.84Å
733	F	89.3	Confident	88.6	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.018	23%	0.232	C	C	.	.			trans	-121.3	151	-176.1	61.7	-91.9	0	0	0	112.4	K594 T618 I620 I731 I736 I766	K594-F733 HydrophobicContact CB-CD2 4.46Å; K594-F733 HydrophobicContact CB-CG 4.43Å; K594-F733 HydrophobicContact CD-CD1 4.28Å; K594-F733 HydrophobicContact CD-CE1 4.29Å; T618-F733 HydrophobicContact CG2-CZ 4.23Å; I620-F733 HydrophobicContact CD1-CD1 4.39Å; I620-F733 HydrophobicContact CD1-CE1 3.52Å; I620-F733 HydrophobicContact CD1-CZ 3.81Å; I620-F733 HydrophobicContact CG1-CE1 4.11Å; I620-F733 HydrophobicContact CG1-CZ 4.41Å; I731-F733 WeakPolarHBondContact CG2-O 3.41Å; F733-I736 HydrophobicContact CD2-CG1 3.96Å; F733-I736 HydrophobicContact CE2-CD1 3.62Å; F733-I736 HydrophobicContact CE2-CG1 3.46Å; F733-I736 VanDerWaalsContact CE2-CG1 3.46Å; F733-I736 HydrophobicContact CZ-CD1 4.23Å; F733-I736 HydrophobicContact CZ-CG1 4.37Å; F733-I766 HydrophobicContact CD2-CG2 4.17Å; F733-I766 HydrophobicContact CE2-CD1 3.78Å; F733-I766 HydrophobicContact CE2-CG1 4.32Å; F733-I766 HydrophobicContact CE2-CG2 3.89Å; F733-I766 HydrophobicContact CZ-CD1 4.2Å
734	N	90.6	Very high	88.7	Confident	48 Å²	48	41.5 Å²	41.5	26%	0.257	23%	0.23	S	C	.	.	S	Bend	trans	-106.3	-22.6	-178.4	-67	95.7	0	0	0	112.7	K592 I766 I767	K592-N734 WeakPolarHBondContact CD-OD1 3.39Å; K592-N734 PolarHBondContact O-N 3.46Å; N734-I766 WeakPolarHBondContact O-CA 3.31Å; N734-I767 PolarHBondContact O-N 2.77Å
735	F	94.1	Very high	88.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.1	-176.1	-67.4	-89.8	0	0	0	111.6	K592 I593 K594 I767 L769 A804 Q807 L808 M811	K592-F735 PolarHBondContact O-N 3.19Å; K592-F735 VanDerWaalsContact O-N 3.13Å; I593-F735 HydrophobicContact CB-CB 4.49Å; I593-F735 HydrophobicContact CG1-CB 4.22Å; I593-F735 HydrophobicContact CG1-CD2 4.39Å; I593-F735 HydrophobicContact CG2-CB 4.27Å; K594-F735 PolarHBondContact N-O 2.86Å; F735-I767 WeakPolarHBondContact CA-O 3.22Å; F735-I767 HydrophobicContact CD1-CB 3.68Å; F735-I767 HydrophobicContact CD1-CD1 4.46Å; F735-I767 HydrophobicContact CD1-CG2 3.9Å; F735-I767 HydrophobicContact CE1-CB 3.67Å; F735-I767 HydrophobicContact CE1-CD1 3.6Å; F735-I767 HydrophobicContact CE1-CG1 4.18Å; F735-I767 HydrophobicContact CE1-CG2 3.8Å; F735-I767 HydrophobicContact CZ-CD1 3.83Å; F735-L769 HydrophobicContact CD1-CD1 4.19Å; F735-L769 HydrophobicContact CD1-CG 4.49Å; F735-A804 HydrophobicContact CB-CB 4.17Å; F735-A804 HydrophobicContact CD1-CB 3.77Å; F735-A804 HydrophobicContact CD2-CB 4.06Å; F735-A804 HydrophobicContact CE1-CB 4.16Å; F735-A804 HydrophobicContact CE2-CB 4.44Å; F735-A804 HydrophobicContact CG-CB 3.72Å; F735-A804 HydrophobicContact CZ-CB 4.49Å; F735-Q807 HydrophobicContact CE1-CB 4.28Å; F735-Q807 HydrophobicContact CE2-CB 4.45Å; F735-Q807 HydrophobicContact CZ-CB 3.6Å; F735-Q807 HydrophobicContact CZ-CG 4.47Å; F735-L808 HydrophobicContact CE2-CB 4.37Å; F735-M811 HydrophobicContact CZ-CE 4.29Å
736	I	94.1	Very high	89.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128	164.9	-64.4	170.6	0	0	0	108.1	K594 I596 T618 F733 F738 Y761 I766 I767 V768 L769	K594-I736 CarbonylContact O-C 3.53Å; K594-I736 WeakPolarHBondContact O-CA 3.44Å; I596-I736 HydrophobicContact CD1-CG2 4.34Å; T618-I736 HydrophobicContact CG2-CD1 3.87Å; T618-I736 HydrophobicContact CG2-CG1 4.43Å; F733-I736 HydrophobicContact CD2-CG1 3.96Å; F733-I736 HydrophobicContact CE2-CD1 3.62Å; F733-I736 HydrophobicContact CE2-CG1 3.46Å; F733-I736 VanDerWaalsContact CE2-CG1 3.46Å; F733-I736 HydrophobicContact CZ-CD1 4.23Å; F733-I736 HydrophobicContact CZ-CG1 4.37Å; I736-F738 HydrophobicContact CG2-CD2 4.22Å; I736-F738 HydrophobicContact CG2-CE1 4.37Å; I736-F738 HydrophobicContact CG2-CE2 3.85Å; I736-F738 HydrophobicContact CG2-CZ 3.92Å; I736-Y761 HydrophobicContact CD1-CD1 3.48Å; I736-Y761 VanDerWaalsContact CD1-CD1 3.48Å; I736-Y761 HydrophobicContact CD1-CD2 3.65Å; I736-Y761 HydrophobicContact CD1-CE1 3.56Å; I736-Y761 HydrophobicContact CD1-CE2 3.71Å; I736-Y761 HydrophobicContact CD1-CG 3.53Å; I736-I766 HydrophobicContact CD1-CG2 3.87Å; I736-I766 HydrophobicContact CG1-CG2 3.8Å; I736-I767 PolarHBondContact N-O 3.48Å; I736-V768 HydrophobicContact CB-CG2 4.48Å; I736-V768 CarbonylContact O-C 3.49Å; I736-V768 WeakPolarHBondContact O-CA 3.36Å; I736-L769 PolarHBondContact O-N 3.24Å
737	I	95.4	Very high	89.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.6	175	-55.4	178.5	0	0	0	108.3	I593 K594 I595 I596 L769 A771 A800 V801	I593-I737 HydrophobicContact CG2-CD1 3.64Å; I593-I737 HydrophobicContact CG2-CG1 4.13Å; K594-I737 PolarHBondContact O-N 2.57Å; I595-I737 CarbonylContact C-O 3.52Å; I595-I737 WeakPolarHBondContact CA-O 3.38Å; I595-I737 HydrophobicContact CB-CB 4.45Å; I595-I737 HydrophobicContact CG1-CB 4.23Å; I595-I737 HydrophobicContact CG1-CD1 4.34Å; I595-I737 HydrophobicContact CG2-CB 4.11Å; I595-I737 HydrophobicContact CG2-CG2 4.21Å; I596-I737 PolarHBondContact N-O 3.04Å; I737-L769 CarbonylContact C-O 3.6Å; I737-L769 WeakPolarHBondContact CA-O 3.38Å; I737-L769 HydrophobicContact CD1-CD1 4.42Å; I737-L769 HydrophobicContact CG1-CB 4.21Å; I737-L769 HydrophobicContact CG1-CD1 4.2Å; I737-A771 HydrophobicContact CG2-CB 4.01Å; I737-A800 HydrophobicContact CD1-CB 3.94Å; I737-A800 HydrophobicContact CG1-CB 4.46Å; I737-A800 HydrophobicContact CG2-CB 3.86Å; I737-V801 HydrophobicContact CD1-CB 4.29Å; I737-V801 HydrophobicContact CD1-CG2 3.49Å; I737-V801 VanDerWaalsContact CD1-CG2 3.49Å
738	F	95.1	Very high	89.9	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.9	171.3	-71.5	-70.2	0	0	0	110.5	I596 F610 V614 I736 C740 W743 V757 V768 L769 L770 A771	I596-F738 HydrophobicContact CB-CD1 4.15Å; I596-F738 HydrophobicContact CB-CE1 4.24Å; I596-F738 HydrophobicContact CD1-CE1 4.3Å; I596-F738 HydrophobicContact CG2-CD1 4.38Å; I596-F738 HydrophobicContact CG2-CE1 4.32Å; F610-F738 HydrophobicContact CZ-CE1 4.25Å; V614-F738 HydrophobicContact CB-CE1 4.49Å; V614-F738 HydrophobicContact CG1-CE1 3.83Å; V614-F738 HydrophobicContact CG1-CZ 3.7Å; V614-F738 HydrophobicContact CG2-CE1 3.74Å; V614-F738 HydrophobicContact CG2-CZ 4.31Å; I736-F738 HydrophobicContact CG2-CD2 4.22Å; I736-F738 HydrophobicContact CG2-CE1 4.37Å; I736-F738 HydrophobicContact CG2-CE2 3.85Å; I736-F738 HydrophobicContact CG2-CZ 3.92Å; F738-C740 PolarHBondContact O-N 2.95Å; F738-C740 PolarHBondContact O-SG 2.91Å; F738-C740 VanDerWaalsContact O-SG 3.38Å; F738-W743 HydrophobicContact CB-CH2 4.36Å; F738-W743 HydrophobicContact CB-CZ2 4.47Å; F738-V757 HydrophobicContact CE2-CG1 4.47Å; F738-V757 HydrophobicContact CZ-CG1 4.07Å; F738-V768 HydrophobicContact CD2-CG1 3.55Å; F738-V768 HydrophobicContact CE2-CG1 3.54Å; F738-L769 PolarHBondContact N-O 3.18Å; F738-L770 HydrophobicContact CB-CD2 3.85Å; F738-L770 HydrophobicContact CD2-CD2 3.89Å; F738-L770 HydrophobicContact CG-CD2 4.31Å; F738-A771 PolarHBondContact O-N 3.47Å
739	D	94.7	Very high	90.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	106.1	166	-179.5	1.3	0	0	0	109.7	I569 I596 R597 S741 I797	I569-D739 HydrophobicContact CD1-CB 4.17Å; I596-D739 PolarHBondContact O-N 2.85Å; R597-D739 HydrophobicContact CB-CB 4.11Å; R597-D739 HydrophobicContact CG-CB 4.42Å; R597-D739 IonicContact CZ-OD2 2.82Å; R597-D739 IonicContact NE-OD2 3.01Å; R597-D739 PolarHBondContact NE-OD2 3.29Å; R597-D739 IonicContact NH2-OD2 3.44Å; R597-D739 PolarHBondContact NH2-OD2 3.39Å; D739-S741 VanDerWaalsContact CG-OG 3.31Å; D739-S741 WeakPolarHBondContact OD1-CB 3.33Å; D739-S741 PolarHBondContact OD1-N 2.85Å; D739-S741 PolarHBondContact OD1-OG 2.85Å; D739-S741 PolarHBondContact OD2-OG 3.35Å; D739-I797 HydrophobicContact CB-CD1 4.02Å; D739-I797 HydrophobicContact CB-CG1 4.36Å; D739-I797 VanDerWaalsContact OD2-CD1 3.29Å; D739-I797 WeakPolarHBondContact OD2-CD1 3.22Å
740	C	94.7	Very high	90.9	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.			trans	-93	5.8	-176.7	-53.6	0	0	0	0	112.8	F738 C742 W743 A771 M773	F738-C740 PolarHBondContact O-N 2.95Å; F738-C740 PolarHBondContact O-SG 2.91Å; F738-C740 VanDerWaalsContact O-SG 3.38Å; C740-C742 VanDerWaalsContact C-N 3.26Å; C740-C742 PolarHBondContact O-N 3.12Å; C740-W743 HydrophobicContact CB-CD2 3.93Å; C740-W743 HydrophobicContact CB-CE3 3.83Å; C740-W743 HydrophobicContact CB-CG 4.39Å; C740-W743 HydrophobicContact CB-CZ3 4.2Å; C740-W743 WeakPolarHBondContact O-CB 3.45Å; C740-W743 PolarHBondContact O-N 2.73Å; C740-W743 VanDerWaalsContact SG-CZ3 3.53Å; C740-A771 VanDerWaalsContact CB-O 3.29Å; C740-A771 WeakPolarHBondContact CB-O 3.44Å; C740-A771 PolarHBondContact N-O 3.3Å; C740-M773 HydrophobicContact CB-CB 3.81Å; C740-M773 HydrophobicContact CB-CE 4.1Å; C740-M773 HydrophobicContact CB-CG 4.17Å; C740-M773 VanDerWaalsContact SG-CE 3.6Å
741	S	92.1	Very high	91.4	Very high	38 Å²	38	33 Å²	33	27%	0.266	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-37.5	-174.7	56.2	0	0	0	0	113.4	D739 W743	D739-S741 VanDerWaalsContact CG-OG 3.31Å; D739-S741 WeakPolarHBondContact OD1-CB 3.33Å; D739-S741 PolarHBondContact OD1-N 2.85Å; D739-S741 PolarHBondContact OD1-OG 2.85Å; D739-S741 PolarHBondContact OD2-OG 3.35Å; S741-W743 VanDerWaalsContact C-N 3.33Å; S741-W743 PolarHBondContact O-N 3.39Å
742	C	91.6	Very high	91.8	Very high	42 Å²	42	33.7 Å²	33.7	28%	0.284	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.6	179.9	-64.8	0	0	0	0	114.1	C740 T744	C740-C742 VanDerWaalsContact C-N 3.26Å; C740-C742 PolarHBondContact O-N 3.12Å; C742-T744 WeakPolarHBondContact O-CG2 3.4Å; C742-T744 PolarHBondContact O-N 2.81Å; C742-T744 VanDerWaalsContact O-N 3.16Å
743	W	91.5	Very high	92.2	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.165	C	C	.	.			trans	-74.4	114.6	-175.8	-59.5	-1.5	0	0	0	109.1	Y598 I602 F610 F738 C740 S741 M746 L754 M773 K774 L777	Y598-W743 AromaticContact CD1-NE1 3.88Å; Y598-W743 PolarHBondContact O-NE1 3.2Å; I602-W743 HydrophobicContact CD1-CD2 3.73Å; I602-W743 VanDerWaalsContact CD1-CE2 3.48Å; I602-W743 HydrophobicContact CD1-CE3 3.95Å; I602-W743 HydrophobicContact CD1-CG 4.41Å; I602-W743 HydrophobicContact CD1-CH2 3.76Å; I602-W743 HydrophobicContact CD1-CZ2 3.51Å; I602-W743 HydrophobicContact CD1-CZ3 3.96Å; F610-W743 AromaticContact CE2-CZ2 3.97Å; F610-W743 HydrophobicContact CE2-CZ2 3.97Å; F610-W743 HydrophobicContact CZ-CH2 4.31Å; F610-W743 HydrophobicContact CZ-CZ2 4.16Å; F738-W743 HydrophobicContact CB-CH2 4.36Å; F738-W743 HydrophobicContact CB-CZ2 4.47Å; C740-W743 HydrophobicContact CB-CD2 3.93Å; C740-W743 HydrophobicContact CB-CE3 3.83Å; C740-W743 HydrophobicContact CB-CG 4.39Å; C740-W743 HydrophobicContact CB-CZ3 4.2Å; C740-W743 WeakPolarHBondContact O-CB 3.45Å; C740-W743 PolarHBondContact O-N 2.73Å; C740-W743 VanDerWaalsContact SG-CZ3 3.53Å; S741-W743 VanDerWaalsContact C-N 3.33Å; S741-W743 PolarHBondContact O-N 3.39Å; W743-M746 HydrophobicContact CE3-CE 3.77Å; W743-M746 HydrophobicContact CZ3-CE 3.9Å; W743-L754 HydrophobicContact CH2-CD1 3.8Å; W743-L754 HydrophobicContact CH2-CD2 4.21Å; W743-L754 HydrophobicContact CZ3-CD1 4.19Å; W743-L754 HydrophobicContact CZ3-CD2 3.73Å; W743-M773 HydrophobicContact CE3-CE 3.97Å; W743-M773 HydrophobicContact CZ3-CE 3.7Å; W743-K774 PolarHBondContact O-NZ 2.71Å; W743-L777 HydrophobicContact CB-CD1 3.99Å
744	T	87.6	Confident	92.4	Very high	78 Å²	78	29.8 Å²	29.8	48%	0.479	16%	0.164	S	C	.	.			trans	-109.9	-14.8	-178.1	78.9	0	0	0	0	113.8	N601 C742 Y776	N601-T744 PolarHBondContact ND2-OG1 2.9Å; N601-T744 WeakPolarHBondContact OD1-CA 3.15Å; N601-T744 WeakPolarHBondContact OD1-CB 3.26Å; N601-T744 PolarHBondContact OD1-N 2.75Å; N601-T744 VanDerWaalsContact OD1-N 3.07Å; N601-T744 PolarHBondContact OD1-OG1 3.35Å; C742-T744 WeakPolarHBondContact O-CG2 3.4Å; C742-T744 PolarHBondContact O-N 2.81Å; C742-T744 VanDerWaalsContact O-N 3.16Å; T744-Y776 PolarHBondContact O-OH 3.21Å
745	F	88.2	Confident	92.4	Very high	105 Å²	105	30.6 Å²	30.6	46%	0.461	17%	0.165	S	C	.	.			trans	-158.4	142.3	179.5	174.3	-103.5	0	0	0	109.8	N601 I602 F603 D747	N601-F745 HydrophobicContact CB-CB 4.33Å; N601-F745 PolarHBondContact OD1-N 2.65Å; N601-F745 VanDerWaalsContact OD1-N 3.14Å; I602-F745 PolarHBondContact N-O 2.8Å; F603-F745 HydrophobicContact CB-CD1 4.12Å; F603-F745 HydrophobicContact CB-CE1 3.8Å; F603-F745 HydrophobicContact CG-CD1 4.44Å; F603-F745 HydrophobicContact CG-CE1 4.28Å; F745-D747 HydrophobicContact CE1-CB 4.12Å; F745-D747 HydrophobicContact CZ-CB 4.04Å
746	M	90	Very high	92.3	Very high	21 Å²	21	35.1 Å²	35.1	10%	0.103	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-142.9	133	172.9	-172.6	175.4	-78	0	0	110	I602 W743 A751 L754 L777 L781	I602-M746 HydrophobicContact CB-CE 3.81Å; I602-M746 HydrophobicContact CB-CG 4.48Å; I602-M746 HydrophobicContact CD1-CE 3.66Å; I602-M746 HydrophobicContact CG1-CE 4.17Å; I602-M746 HydrophobicContact CG2-CE 4.29Å; I602-M746 WeakPolarHBondContact O-CA 3.28Å; I602-M746 WeakPolarHBondContact O-CG 3.43Å; W743-M746 HydrophobicContact CE3-CE 3.77Å; W743-M746 HydrophobicContact CZ3-CE 3.9Å; M746-A751 HydrophobicContact CG-CB 4.18Å; M746-A751 HydrophobicContact SD-CB 3.93Å; M746-L754 HydrophobicContact CE-CB 4.5Å; M746-L754 HydrophobicContact CE-CD2 3.82Å; M746-L754 HydrophobicContact SD-CD2 4.24Å; M746-L777 HydrophobicContact CB-CD2 3.93Å; M746-L781 HydrophobicContact SD-CD1 4.1Å; M746-L781 HydrophobicContact SD-CD2 3.77Å; M746-L781 HydrophobicContact SD-CG 4.37Å
747	D	92.2	Very high	92.2	Very high	35 Å²	35	35.1 Å²	35.1	19%	0.187	19%	0.186	C	C	.	.			trans	-99.5	-177.8	172.4	74	4.1	0	0	0	111.2	I602 F603 Y604 F745 V749 G750 A751	I602-D747 PolarHBondContact O-N 3.37Å; F603-D747 WeakPolarHBondContact CA-OD1 3.43Å; F603-D747 HydrophobicContact CB-CB 4.16Å; F603-D747 WeakPolarHBondContact CB-OD2 3.46Å; Y604-D747 PolarHBondContact N-OD1 3.39Å; Y604-D747 PolarHBondContact N-OD2 2.9Å; F745-D747 HydrophobicContact CE1-CB 4.12Å; F745-D747 HydrophobicContact CZ-CB 4.04Å; D747-V749 VanDerWaalsContact C-N 3.31Å; D747-V749 PolarHBondContact O-N 3.47Å; D747-V749 PolarHBondContact OD1-N 3.4Å; D747-V749 VanDerWaalsContact OD1-N 3.11Å; D747-G750 PolarHBondContact O-N 3.17Å; D747-G750 PolarHBondContact OD1-N 2.84Å; D747-A751 WeakPolarHBondContact O-CB 3.47Å; D747-A751 PolarHBondContact O-N 3.31Å
748	I	92	Very high	92	Very high	117 Å²	117	35.2 Å²	35.2	60%	0.6	19%	0.187	S	C	*	.	H	α-helix	trans	-62.2	-39.1	-178.6	-167.8	164.7	0	0	0	112.4	A751 D752	I748-A751 PolarHBondContact O-N 2.92Å; I748-D752 WeakPolarHBondContact O-CB 3.48Å; I748-D752 PolarHBondContact O-N 3.39Å
749	V	92.8	Very high	91.8	Very high	61 Å²	61	37.6 Å²	37.6	37%	0.37	20%	0.199	S	C	.	.	H	α-helix	trans	-68.3	-43.5	179.9	-179	0	0	0	0	110	A607 D747 A751 D752 E753	A607-V749 HydrophobicContact CB-CG1 4.28Å; D747-V749 VanDerWaalsContact C-N 3.31Å; D747-V749 PolarHBondContact O-N 3.47Å; D747-V749 PolarHBondContact OD1-N 3.4Å; D747-V749 VanDerWaalsContact OD1-N 3.11Å; V749-A751 VanDerWaalsContact C-N 3.33Å; V749-A751 PolarHBondContact O-N 2.98Å; V749-D752 PolarHBondContact O-N 2.86Å; V749-E753 WeakPolarHBondContact O-CB 3.27Å; V749-E753 WeakPolarHBondContact O-CG 3.36Å; V749-E753 PolarHBondContact O-N 2.9Å
750	G	92.1	Very high	91.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-37.6	175.6	0	0	0	0	0	113.1	D747 L754	D747-G750 PolarHBondContact O-N 3.17Å; D747-G750 PolarHBondContact OD1-N 2.84Å; G750-L754 WeakPolarHBondContact O-CB 3.47Å; G750-L754 PolarHBondContact O-N 2.95Å
751	A	92.2	Very high	91.5	Very high	7 Å²	7	38.5 Å²	38.5	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-67.6	-39.7	174	0	0	0	0	0	112.3	M746 D747 I748 V749 L754 K755 L781 K786	M746-A751 HydrophobicContact CG-CB 4.18Å; M746-A751 HydrophobicContact SD-CB 3.93Å; D747-A751 WeakPolarHBondContact O-CB 3.47Å; D747-A751 PolarHBondContact O-N 3.31Å; I748-A751 PolarHBondContact O-N 2.92Å; V749-A751 VanDerWaalsContact C-N 3.33Å; V749-A751 PolarHBondContact O-N 2.98Å; A751-L754 PolarHBondContact O-N 3.41Å; A751-K755 WeakPolarHBondContact O-CB 3.19Å; A751-K755 PolarHBondContact O-N 3.44Å; A751-L781 HydrophobicContact CB-CD2 3.54Å; A751-K786 HydrophobicContact CB-CB 4.28Å; A751-K786 HydrophobicContact CB-CD 4.37Å; A751-K786 HydrophobicContact CB-CG 3.98Å
752	D	92.9	Very high	91.4	Very high	52 Å²	52	39.4 Å²	39.4	28%	0.278	21%	0.206	S	C	.	.	H	α-helix	trans	-66.5	-41.3	175.1	-83.2	-41.4	0	0	0	112.4	I748 V749 K755 Q756 K786	I748-D752 WeakPolarHBondContact O-CB 3.48Å; I748-D752 PolarHBondContact O-N 3.39Å; V749-D752 PolarHBondContact O-N 2.86Å; D752-K755 PolarHBondContact O-N 3.27Å; D752-Q756 WeakPolarHBondContact O-CB 3.28Å; D752-Q756 VanDerWaalsContact O-CG 3.28Å; D752-Q756 WeakPolarHBondContact O-CG 3.41Å; D752-Q756 PolarHBondContact O-N 2.98Å; D752-K786 IonicContact OD1-NZ 3.67Å; D752-K786 PolarHBondContact OD1-NZ 3.31Å; D752-K786 IonicContact OD2-NZ 3.19Å; D752-K786 PolarHBondContact OD2-NZ 3.19Å
753	E	91.9	Very high	91.2	Very high	20 Å²	20	44.1 Å²	44.1	9%	0.093	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-41.3	174.9	-77.2	-68.6	172.1	0	0	111.7	A607 R611 V749 K755 Q756 V757	A607-E753 HydrophobicContact CB-CB 3.96Å; A607-E753 HydrophobicContact CB-CG 3.64Å; R611-E753 WeakPolarHBondContact CD-OE2 2.92Å; R611-E753 IonicContact CZ-OE1 2.61Å; R611-E753 IonicContact CZ-OE2 3.43Å; R611-E753 IonicContact NE-OE2 2.63Å; R611-E753 IonicContact NH1-OE1 3.34Å; R611-E753 PolarHBondContact NH1-OE1 3.39Å; R611-E753 IonicContact NH1-OE2 3.04Å; R611-E753 PolarHBondContact NH1-OE2 2.8Å; V749-E753 WeakPolarHBondContact O-CB 3.27Å; V749-E753 WeakPolarHBondContact O-CG 3.36Å; V749-E753 PolarHBondContact O-N 2.9Å; E753-K755 VanDerWaalsContact C-N 3.34Å; E753-K755 PolarHBondContact O-N 3.27Å; E753-Q756 PolarHBondContact O-N 2.97Å; E753-V757 WeakPolarHBondContact O-CB 3.42Å; E753-V757 VanDerWaalsContact O-CG2 3.27Å; E753-V757 WeakPolarHBondContact O-CG2 3.48Å; E753-V757 PolarHBondContact O-N 3.45Å
754	L	93.4	Very high	90.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-47.2	172.7	176.7	62.9	0	0	0	111.3	F610 W743 M746 G750 A751 Q756 V757 I758 L781	F610-L754 HydrophobicContact CE1-CD1 4.14Å; F610-L754 HydrophobicContact CZ-CD1 4.07Å; W743-L754 HydrophobicContact CH2-CD1 3.8Å; W743-L754 HydrophobicContact CH2-CD2 4.21Å; W743-L754 HydrophobicContact CZ3-CD1 4.19Å; W743-L754 HydrophobicContact CZ3-CD2 3.73Å; M746-L754 HydrophobicContact CE-CB 4.5Å; M746-L754 HydrophobicContact CE-CD2 3.82Å; M746-L754 HydrophobicContact SD-CD2 4.24Å; G750-L754 WeakPolarHBondContact O-CB 3.47Å; G750-L754 PolarHBondContact O-N 2.95Å; A751-L754 PolarHBondContact O-N 3.41Å; L754-Q756 PolarHBondContact O-N 3.22Å; L754-V757 PolarHBondContact O-N 3.43Å; L754-I758 HydrophobicContact CD1-CD1 3.9Å; L754-I758 HydrophobicContact CD1-CG1 4.24Å; L754-I758 HydrophobicContact CG-CD1 3.82Å; L754-I758 VanDerWaalsContact O-CG1 3.29Å; L754-I758 WeakPolarHBondContact O-CG1 3.5Å; L754-I758 PolarHBondContact O-N 3.24Å; L754-L781 HydrophobicContact CD2-CD1 4.07Å
755	K	92.4	Very high	90.9	Very high	65 Å²	65	44 Å²	44	28%	0.283	23%	0.231	S	C	.	.	H	α-helix	trans	-58.6	-49.1	177.1	-173.5	-179.3	-176	164.6	0	111.4	A751 D752 E753 V757 I758 D759 N785 K786	A751-K755 WeakPolarHBondContact O-CB 3.19Å; A751-K755 PolarHBondContact O-N 3.44Å; D752-K755 PolarHBondContact O-N 3.27Å; E753-K755 VanDerWaalsContact C-N 3.34Å; E753-K755 PolarHBondContact O-N 3.27Å; K755-V757 VanDerWaalsContact C-N 3.29Å; K755-V757 PolarHBondContact O-N 3.04Å; K755-I758 PolarHBondContact O-N 2.88Å; K755-D759 WeakPolarHBondContact O-CB 2.98Å; K755-D759 VanDerWaalsContact O-CG 3.26Å; K755-D759 PolarHBondContact O-N 3.3Å; K755-N785 PolarHBondContact NZ-O 3.5Å; K755-K786 VanDerWaalsContact CB-O 3.29Å; K755-K786 WeakPolarHBondContact CB-O 3.32Å; K755-K786 WeakPolarHBondContact CG-O 3.15Å
756	Q	90.8	Very high	91	Very high	95 Å²	95	39.1 Å²	39.1	44%	0.444	21%	0.21	S	C	.	.	H	α-helix	trans	-60.4	-39.1	179.6	-74	177.7	35.5	0	0	112.2	D752 E753 L754 S760	D752-Q756 WeakPolarHBondContact O-CB 3.28Å; D752-Q756 VanDerWaalsContact O-CG 3.28Å; D752-Q756 WeakPolarHBondContact O-CG 3.41Å; D752-Q756 PolarHBondContact O-N 2.98Å; E753-Q756 PolarHBondContact O-N 2.97Å; L754-Q756 PolarHBondContact O-N 3.22Å; Q756-S760 WeakPolarHBondContact O-CB 3.36Å; Q756-S760 PolarHBondContact O-N 2.94Å; Q756-S760 PolarHBondContact O-OG 3.46Å
757	V	92	Very high	91.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-48.8	174.7	169	0	0	0	0	110.7	F610 R611 V614 Y615 F738 E753 L754 K755 S760 Y761	F610-V757 HydrophobicContact CE1-CG2 4.32Å; R611-V757 HydrophobicContact CB-CG2 3.97Å; R611-V757 HydrophobicContact CG-CG2 3.8Å; V614-V757 HydrophobicContact CG1-CG1 4.07Å; Y615-V757 HydrophobicContact CE1-CG1 4.37Å; Y615-V757 HydrophobicContact CE1-CG2 4.19Å; F738-V757 HydrophobicContact CE2-CG1 4.47Å; F738-V757 HydrophobicContact CZ-CG1 4.07Å; E753-V757 WeakPolarHBondContact O-CB 3.42Å; E753-V757 VanDerWaalsContact O-CG2 3.27Å; E753-V757 WeakPolarHBondContact O-CG2 3.48Å; E753-V757 PolarHBondContact O-N 3.45Å; L754-V757 PolarHBondContact O-N 3.43Å; K755-V757 VanDerWaalsContact C-N 3.29Å; K755-V757 PolarHBondContact O-N 3.04Å; V757-S760 PolarHBondContact O-N 3.38Å; V757-Y761 HydrophobicContact CG1-CD2 3.93Å; V757-Y761 HydrophobicContact CG1-CE2 3.76Å; V757-Y761 WeakPolarHBondContact O-CD2 3.43Å; V757-Y761 PolarHBondContact O-N 2.92Å
758	I	92.4	Very high	91.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-56.1	178.2	-67.6	166.9	0	0	0	110.3	L754 K755 S760 Y761 E762 V768 T791	L754-I758 HydrophobicContact CD1-CD1 3.9Å; L754-I758 HydrophobicContact CD1-CG1 4.24Å; L754-I758 HydrophobicContact CG-CD1 3.82Å; L754-I758 VanDerWaalsContact O-CG1 3.29Å; L754-I758 WeakPolarHBondContact O-CG1 3.5Å; L754-I758 PolarHBondContact O-N 3.24Å; K755-I758 PolarHBondContact O-N 2.88Å; I758-S760 PolarHBondContact O-N 3.14Å; I758-S760 VanDerWaalsContact O-N 3.16Å; I758-Y761 PolarHBondContact O-N 3.18Å; I758-E762 HydrophobicContact CG2-CG 4.16Å; I758-E762 WeakPolarHBondContact CG2-OE1 3.34Å; I758-E762 WeakPolarHBondContact O-CG 3.29Å; I758-E762 PolarHBondContact O-N 2.96Å; I758-V768 HydrophobicContact CG1-CG1 4.03Å; I758-V768 HydrophobicContact CG2-CB 4.24Å; I758-V768 HydrophobicContact CG2-CG2 4.45Å; I758-T791 HydrophobicContact CD1-CG2 4.41Å
759	D	91	Very high	91.3	Very high	51 Å²	51	33.3 Å²	33.3	27%	0.273	18%	0.18	S	C	.	.	H	α-helix	trans	-57.4	-35.1	-178.5	-69.3	-5.4	0	0	0	111.7	K755 K763	K755-D759 WeakPolarHBondContact O-CB 2.98Å; K755-D759 VanDerWaalsContact O-CG 3.26Å; K755-D759 PolarHBondContact O-N 3.3Å; D759-K763 WeakPolarHBondContact O-CB 3.49Å; D759-K763 WeakPolarHBondContact O-CD 3.45Å; D759-K763 WeakPolarHBondContact O-CG 3.44Å; D759-K763 PolarHBondContact O-N 3.24Å; D759-K763 VanDerWaalsContact O-N 3.08Å
760	S	90.5	Very high	91.4	Very high	19 Å²	19	30.4 Å²	30.4	13%	0.133	16%	0.163	C	C	.	.	H	α-helix	trans	-69.6	-38.8	179.4	-63.3	0	0	0	0	112.4	Q756 V757 I758	Q756-S760 WeakPolarHBondContact O-CB 3.36Å; Q756-S760 PolarHBondContact O-N 2.94Å; Q756-S760 PolarHBondContact O-OG 3.46Å; V757-S760 PolarHBondContact O-N 3.38Å; I758-S760 PolarHBondContact O-N 3.14Å; I758-S760 VanDerWaalsContact O-N 3.16Å
761	Y	91	Very high	91.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-73.4	-41.4	174.6	-77	-61.6	0	0	0	112.1	V614 Y615 T618 P622 I736 V757 I758 K763 L764 I766	V614-Y761 HydrophobicContact CG1-CE2 3.93Å; Y615-Y761 HydrophobicContact CD1-CE2 4.24Å; Y615-Y761 WeakPolarHBondContact CD1-OH 3.48Å; Y615-Y761 HydrophobicContact CE1-CE2 4.08Å; T618-Y761 WeakPolarHBondContact CB-OH 3.28Å; T618-Y761 HydrophobicContact CG2-CE1 4.3Å; T618-Y761 WeakPolarHBondContact CG2-OH 3.33Å; T618-Y761 PolarHBondContact OG1-OH 3.42Å; P622-Y761 HydrophobicContact CB-CD1 4Å; P622-Y761 HydrophobicContact CB-CE1 4.09Å; P622-Y761 HydrophobicContact CG-CD1 4.22Å; P622-Y761 HydrophobicContact CG-CE1 3.98Å; P622-Y761 HydrophobicContact CG-CE2 4.41Å; I736-Y761 HydrophobicContact CD1-CD1 3.48Å; I736-Y761 VanDerWaalsContact CD1-CD1 3.48Å; I736-Y761 HydrophobicContact CD1-CD2 3.65Å; I736-Y761 HydrophobicContact CD1-CE1 3.56Å; I736-Y761 HydrophobicContact CD1-CE2 3.71Å; I736-Y761 HydrophobicContact CD1-CG 3.53Å; V757-Y761 HydrophobicContact CG1-CD2 3.93Å; V757-Y761 HydrophobicContact CG1-CE2 3.76Å; V757-Y761 WeakPolarHBondContact O-CD2 3.43Å; V757-Y761 PolarHBondContact O-N 2.92Å; I758-Y761 PolarHBondContact O-N 3.18Å; Y761-K763 VanDerWaalsContact C-N 3.27Å; Y761-K763 PolarHBondContact O-N 3.43Å; Y761-L764 WeakPolarHBondContact O-CA 3.47Å; Y761-L764 WeakPolarHBondContact O-CB 3.39Å; Y761-L764 PolarHBondContact O-N 3.4Å; Y761-I766 CarbonylContact C-O 3.54Å; Y761-I766 HydrophobicContact CD1-CD1 3.83Å; Y761-I766 WeakPolarHBondContact O-CB 3.45Å; Y761-I766 PolarHBondContact O-N 3.32Å
762	E	90	Very high	91.7	Very high	58 Å²	58	33.6 Å²	33.6	27%	0.271	18%	0.176	S	C	.	.	H	α-helix	trans	-60.9	-36.2	177.8	-71.9	-176.1	171.8	0	0	111.9	I758 L764 G765 I766 V768 T791	I758-E762 HydrophobicContact CG2-CG 4.16Å; I758-E762 WeakPolarHBondContact CG2-OE1 3.34Å; I758-E762 WeakPolarHBondContact O-CG 3.29Å; I758-E762 PolarHBondContact O-N 2.96Å; E762-L764 PolarHBondContact O-N 3.08Å; E762-G765 PolarHBondContact O-N 3.16Å; E762-I766 WeakPolarHBondContact CA-O 3.42Å; E762-V768 HydrophobicContact CG-CG2 4.48Å; E762-T791 PolarHBondContact OE1-OG1 3.12Å
763	K	88.1	Confident	91.6	Very high	140 Å²	140	31.4 Å²	31.4	61%	0.609	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.1	172.9	-75.6	169	-171.6	172.5	0	114.4	N626 D759 Y761 G765	N626-K763 VanDerWaalsContact ND2-CB 3.28Å; N626-K763 WeakPolarHBondContact ND2-CB 3.47Å; N626-K763 WeakPolarHBondContact ND2-CD 3.28Å; D759-K763 WeakPolarHBondContact O-CB 3.49Å; D759-K763 WeakPolarHBondContact O-CD 3.45Å; D759-K763 WeakPolarHBondContact O-CG 3.44Å; D759-K763 PolarHBondContact O-N 3.24Å; D759-K763 VanDerWaalsContact O-N 3.08Å; Y761-K763 VanDerWaalsContact C-N 3.27Å; Y761-K763 PolarHBondContact O-N 3.43Å; K763-G765 VanDerWaalsContact C-N 3.33Å
764	L	86.3	Confident	91.6	Very high	20 Å²	20	34 Å²	34	11%	0.105	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	4	173.5	-64.8	-177.7	0	0	0	112.9	I620 P622 L625 N626 I731 Y761 E762 I766	I620-L764 HydrophobicContact CG2-CD1 4.39Å; P622-L764 HydrophobicContact CB-CD1 3.71Å; P622-L764 HydrophobicContact CB-CG 4.49Å; L625-L764 HydrophobicContact CB-CD1 4.3Å; L625-L764 HydrophobicContact CD2-CD1 3.91Å; L625-L764 HydrophobicContact CD2-CD2 3.44Å; L625-L764 VanDerWaalsContact CD2-CD2 3.44Å; L625-L764 HydrophobicContact CD2-CG 4.3Å; N626-L764 HydrophobicContact CB-CD2 4.02Å; I731-L764 HydrophobicContact CD1-CB 4.37Å; Y761-L764 WeakPolarHBondContact O-CA 3.47Å; Y761-L764 WeakPolarHBondContact O-CB 3.39Å; Y761-L764 PolarHBondContact O-N 3.4Å; E762-L764 PolarHBondContact O-N 3.08Å; L764-I766 VanDerWaalsContact C-N 3.31Å; L764-I766 HydrophobicContact CB-CD1 4.06Å; L764-I766 HydrophobicContact CB-CG1 4.36Å; L764-I766 HydrophobicContact CD1-CD1 4.37Å
765	G	86.7	Confident	91.4	Very high	57 Å²	57	36.2 Å²	36.2	59%	0.588	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	14.5	-175	0	0	0	0	0	113.8	E762 K763	E762-G765 PolarHBondContact O-N 3.16Å; K763-G765 VanDerWaalsContact C-N 3.33Å
766	I	90.8	Very high	91.1	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-91.4	126.8	176.4	-61.7	161.6	0	0	0	108.6	I731 F733 N734 I736 Y761 E762 L764	I731-I766 HydrophobicContact CG2-CD1 4.03Å; I731-I766 HydrophobicContact CG2-CG1 4.08Å; F733-I766 HydrophobicContact CD2-CG2 4.17Å; F733-I766 HydrophobicContact CE2-CD1 3.78Å; F733-I766 HydrophobicContact CE2-CG1 4.32Å; F733-I766 HydrophobicContact CE2-CG2 3.89Å; F733-I766 HydrophobicContact CZ-CD1 4.2Å; N734-I766 WeakPolarHBondContact O-CA 3.31Å; I736-I766 HydrophobicContact CD1-CG2 3.87Å; I736-I766 HydrophobicContact CG1-CG2 3.8Å; Y761-I766 CarbonylContact C-O 3.54Å; Y761-I766 HydrophobicContact CD1-CD1 3.83Å; Y761-I766 WeakPolarHBondContact O-CB 3.45Å; Y761-I766 PolarHBondContact O-N 3.32Å; E762-I766 WeakPolarHBondContact CA-O 3.42Å; L764-I766 VanDerWaalsContact C-N 3.31Å; L764-I766 HydrophobicContact CB-CD1 4.06Å; L764-I766 HydrophobicContact CB-CG1 4.36Å; L764-I766 HydrophobicContact CD1-CD1 4.37Å
767	I	92	Very high	91	Very high	51 Å²	51	32.8 Å²	32.8	26%	0.262	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.2	179.6	-61.5	172.3	0	0	0	109.2	N734 F735 I736 L769 M811	N734-I767 PolarHBondContact O-N 2.77Å; F735-I767 WeakPolarHBondContact CA-O 3.22Å; F735-I767 HydrophobicContact CD1-CB 3.68Å; F735-I767 HydrophobicContact CD1-CD1 4.46Å; F735-I767 HydrophobicContact CD1-CG2 3.9Å; F735-I767 HydrophobicContact CE1-CB 3.67Å; F735-I767 HydrophobicContact CE1-CD1 3.6Å; F735-I767 HydrophobicContact CE1-CG1 4.18Å; F735-I767 HydrophobicContact CE1-CG2 3.8Å; F735-I767 HydrophobicContact CZ-CD1 3.83Å; I736-I767 PolarHBondContact N-O 3.48Å; I767-L769 HydrophobicContact CG2-CD2 3.71Å; I767-L769 HydrophobicContact CG2-CG 4.36Å; I767-M811 HydrophobicContact CD1-CE 4.01Å
768	V	93.6	Very high	90.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.6	177.3	-173.5	0	0	0	0	110.3	I736 F738 I758 E762	I736-V768 HydrophobicContact CB-CG2 4.48Å; I736-V768 CarbonylContact O-C 3.49Å; I736-V768 WeakPolarHBondContact O-CA 3.36Å; F738-V768 HydrophobicContact CD2-CG1 3.55Å; F738-V768 HydrophobicContact CE2-CG1 3.54Å; I758-V768 HydrophobicContact CG1-CG1 4.03Å; I758-V768 HydrophobicContact CG2-CB 4.24Å; I758-V768 HydrophobicContact CG2-CG2 4.45Å; E762-V768 HydrophobicContact CG-CG2 4.48Å
769	L	94.6	Very high	90.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.1	177.8	-49.1	178.5	0	0	0	109.9	F735 I736 I737 F738 I767 K792 Y794 A800 A804	F735-L769 HydrophobicContact CD1-CD1 4.19Å; F735-L769 HydrophobicContact CD1-CG 4.49Å; I736-L769 PolarHBondContact O-N 3.24Å; I737-L769 CarbonylContact C-O 3.6Å; I737-L769 WeakPolarHBondContact CA-O 3.38Å; I737-L769 HydrophobicContact CD1-CD1 4.42Å; I737-L769 HydrophobicContact CG1-CB 4.21Å; I737-L769 HydrophobicContact CG1-CD1 4.2Å; F738-L769 PolarHBondContact N-O 3.18Å; I767-L769 HydrophobicContact CG2-CD2 3.71Å; I767-L769 HydrophobicContact CG2-CG 4.36Å; L769-K792 HydrophobicContact CD2-CB 4.18Å; L769-Y794 HydrophobicContact CB-CD2 4.3Å; L769-Y794 HydrophobicContact CB-CE2 3.99Å; L769-Y794 HydrophobicContact CD1-CE2 4.01Å; L769-Y794 HydrophobicContact CD2-CE2 3.97Å; L769-Y794 HydrophobicContact CG-CE2 4.21Å; L769-A800 HydrophobicContact CD1-CB 4.38Å; L769-A804 HydrophobicContact CD1-CB 4.14Å
770	L	95.3	Very high	90.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.1	178.4	-55	176.7	0	0	0	109.3	F738 M773 I787 T791 K792 I793 Y794	F738-L770 HydrophobicContact CB-CD2 3.85Å; F738-L770 HydrophobicContact CD2-CD2 3.89Å; F738-L770 HydrophobicContact CG-CD2 4.31Å; L770-M773 HydrophobicContact CB-CE 4.35Å; L770-M773 HydrophobicContact CD1-CE 3.75Å; L770-M773 HydrophobicContact CG-CE 4.47Å; L770-I787 HydrophobicContact CD1-CD1 3.64Å; L770-I787 HydrophobicContact CD1-CG1 4.29Å; L770-T791 HydrophobicContact CD1-CG2 3.95Å; L770-T791 HydrophobicContact CG-CG2 3.95Å; L770-K792 PolarHBondContact N-O 3.32Å; L770-I793 HydrophobicContact CB-CG1 4.29Å; L770-I793 HydrophobicContact CB-CG2 4.48Å; L770-I793 HydrophobicContact CD1-CG1 4.38Å; L770-I793 CarbonylContact O-C 3.54Å; L770-I793 VanDerWaalsContact O-CA 3.26Å; L770-I793 WeakPolarHBondContact O-CA 3.35Å; L770-Y794 PolarHBondContact O-N 2.98Å
771	A	95.1	Very high	90.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.2	-179.3	0	0	0	0	0	111.4	I737 F738 C740 M773 I797 A800	I737-A771 HydrophobicContact CG2-CB 4.01Å; F738-A771 PolarHBondContact O-N 3.47Å; C740-A771 VanDerWaalsContact CB-O 3.29Å; C740-A771 WeakPolarHBondContact CB-O 3.44Å; C740-A771 PolarHBondContact N-O 3.3Å; A771-M773 VanDerWaalsContact C-N 3.26Å; A771-M773 PolarHBondContact O-N 2.67Å; A771-I797 HydrophobicContact CB-CB 4.42Å; A771-I797 HydrophobicContact CB-CG1 3.99Å; A771-A800 HydrophobicContact CB-CB 4.25Å
772	Q	94	Very high	89.9	Confident	73 Å²	73	40.9 Å²	40.9	34%	0.341	21%	0.208	S	C	.	.	S	Bend	trans	58.4	29.8	173.2	-62.1	-166.3	-33.6	0	0	115.4	Y794 P795 I797	Q772-Y794 PolarHBondContact N-O 3.15Å; Q772-P795 WeakPolarHBondContact CG-O 3.36Å; Q772-I797 HydrophobicContact CG-CG1 4.4Å
773	M	92.9	Very high	89.6	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.03	23%	0.228	C	C	.	.			trans	-73.7	142.1	175.8	-167.9	177.1	-75.7	0	0	111.8	C740 W743 L770 A771 L777 I778 L781 I793	C740-M773 HydrophobicContact CB-CB 3.81Å; C740-M773 HydrophobicContact CB-CE 4.1Å; C740-M773 HydrophobicContact CB-CG 4.17Å; C740-M773 VanDerWaalsContact SG-CE 3.6Å; W743-M773 HydrophobicContact CE3-CE 3.97Å; W743-M773 HydrophobicContact CZ3-CE 3.7Å; L770-M773 HydrophobicContact CB-CE 4.35Å; L770-M773 HydrophobicContact CD1-CE 3.75Å; L770-M773 HydrophobicContact CG-CE 4.47Å; A771-M773 VanDerWaalsContact C-N 3.26Å; A771-M773 PolarHBondContact O-N 2.67Å; M773-L777 HydrophobicContact CG-CB 4.01Å; M773-L777 HydrophobicContact SD-CB 4.15Å; M773-I778 HydrophobicContact CB-CD1 4.14Å; M773-I778 HydrophobicContact CB-CG1 3.92Å; M773-I778 HydrophobicContact CG-CD1 4.44Å; M773-I778 HydrophobicContact CG-CG1 3.71Å; M773-I778 HydrophobicContact SD-CG1 3.68Å; M773-L781 HydrophobicContact CE-CD1 4.03Å; M773-L781 HydrophobicContact SD-CD1 3.87Å; M773-I793 HydrophobicContact CB-CG2 4.3Å
774	K	91.1	Very high	89.4	Confident	76 Å²	76	42.1 Å²	42.1	33%	0.33	22%	0.224	S	C	.	.			trans	-73.4	141.2	176.5	-66.2	175.6	-175.3	146.1	0	111.3	W743 Y776 L777 I778	W743-K774 PolarHBondContact O-NZ 2.71Å; K774-Y776 VanDerWaalsContact C-N 3.33Å; K774-Y776 HydrophobicContact CB-CD1 4.01Å; K774-Y776 HydrophobicContact CB-CE1 3.82Å; K774-Y776 HydrophobicContact CD-CE1 3.87Å; K774-Y776 HydrophobicContact CG-CE1 4.48Å; K774-Y776 PolarHBondContact O-N 2.92Å; K774-L777 WeakPolarHBondContact O-CB 3.5Å; K774-L777 PolarHBondContact O-N 3.42Å; K774-I778 PolarHBondContact O-N 3.01Å; K774-I778 VanDerWaalsContact O-N 3.13Å
775	D	88.3	Confident	89.3	Confident	46 Å²	46	47 Å²	47	25%	0.246	25%	0.25	C	C	.	.	H	α-helix	trans	-57.3	-41.4	-172	-53.4	-30.3	0	0	0	113.8	K29 Y38 L777 I778 H779	K29-D775 WeakPolarHBondContact CE-OD1 3.34Å; K29-D775 IonicContact NZ-OD1 3.92Å; K29-D775 PolarHBondContact NZ-OD1 2.87Å; Y38-D775 WeakPolarHBondContact CE2-OD2 3.46Å; Y38-D775 WeakPolarHBondContact OH-CB 3.42Å; Y38-D775 VanDerWaalsContact OH-CG 3.28Å; Y38-D775 PolarHBondContact OH-OD2 2.79Å; D775-L777 VanDerWaalsContact C-N 3.27Å; D775-L777 PolarHBondContact O-N 3.49Å; D775-I778 WeakPolarHBondContact O-CB 3.29Å; D775-I778 PolarHBondContact O-N 3.07Å; D775-H779 PolarHBondContact O-CD2 2.89Å; D775-H779 PolarHBondContact O-N 3.49Å
776	Y	86.5	Confident	89.2	Confident	82 Å²	82	46 Å²	46	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-30.2	179.9	82.3	-91.1	0	0	0	112.2	T744 K774 T780	T744-Y776 PolarHBondContact O-OH 3.21Å; K774-Y776 VanDerWaalsContact C-N 3.33Å; K774-Y776 HydrophobicContact CB-CD1 4.01Å; K774-Y776 HydrophobicContact CB-CE1 3.82Å; K774-Y776 HydrophobicContact CD-CE1 3.87Å; K774-Y776 HydrophobicContact CG-CE1 4.48Å; K774-Y776 PolarHBondContact O-N 2.92Å; Y776-T780 WeakPolarHBondContact O-CB 3.46Å; Y776-T780 PolarHBondContact O-N 3Å; Y776-T780 PolarHBondContact O-OG1 3.2Å
777	L	88.8	Confident	88.7	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-71.6	-42.8	173.6	-69.6	176	0	0	0	110.4	W743 M746 M773 K774 D775 H779 T780 L781	W743-L777 HydrophobicContact CB-CD1 3.99Å; M746-L777 HydrophobicContact CB-CD2 3.93Å; M773-L777 HydrophobicContact CG-CB 4.01Å; M773-L777 HydrophobicContact SD-CB 4.15Å; K774-L777 WeakPolarHBondContact O-CB 3.5Å; K774-L777 PolarHBondContact O-N 3.42Å; D775-L777 VanDerWaalsContact C-N 3.27Å; D775-L777 PolarHBondContact O-N 3.49Å; L777-H779 VanDerWaalsContact C-N 3.35Å; L777-H779 PolarHBondContact O-N 3.28Å; L777-T780 PolarHBondContact O-N 3.05Å; L777-T780 VanDerWaalsContact O-N 3.13Å; L777-L781 WeakPolarHBondContact O-CB 3.41Å; L777-L781 WeakPolarHBondContact O-CG 3.33Å; L777-L781 PolarHBondContact O-N 3.39Å
778	I	89.1	Confident	87.7	Confident	11 Å²	11	45.6 Å²	45.6	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-56.2	-51.9	175.5	-60.8	173.8	0	0	0	109.8	K29 M773 K774 D775 T780 L781 Q782 I793	K29-I778 HydrophobicContact CD-CD1 4.21Å; K29-I778 HydrophobicContact CG-CD1 3.91Å; M773-I778 HydrophobicContact CB-CD1 4.14Å; M773-I778 HydrophobicContact CB-CG1 3.92Å; M773-I778 HydrophobicContact CG-CD1 4.44Å; M773-I778 HydrophobicContact CG-CG1 3.71Å; M773-I778 HydrophobicContact SD-CG1 3.68Å; K774-I778 PolarHBondContact O-N 3.01Å; K774-I778 VanDerWaalsContact O-N 3.13Å; D775-I778 WeakPolarHBondContact O-CB 3.29Å; D775-I778 PolarHBondContact O-N 3.07Å; I778-T780 VanDerWaalsContact C-N 3.3Å; I778-T780 PolarHBondContact O-N 3Å; I778-L781 PolarHBondContact O-N 2.9Å; I778-Q782 HydrophobicContact CG2-CG 4.21Å; I778-Q782 WeakPolarHBondContact O-CB 3.43Å; I778-Q782 WeakPolarHBondContact O-CG 3.37Å; I778-Q782 PolarHBondContact O-N 3.27Å; I778-I793 HydrophobicContact CB-CD1 4.47Å; I778-I793 HydrophobicContact CD1-CD1 4.42Å; I778-I793 HydrophobicContact CD1-CG2 3.93Å; I778-I793 HydrophobicContact CG1-CD1 4.07Å; I778-I793 HydrophobicContact CG1-CG2 4.45Å; I778-I793 HydrophobicContact CG2-CD1 3.81Å
779	H	85.5	Confident	86.4	Confident	74 Å²	74	54 Å²	54	34%	0.343	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-40.4	176.6	-71.6	-54.5	0	0	0	112.5	D775 L777 N783	D775-H779 PolarHBondContact O-CD2 2.89Å; D775-H779 PolarHBondContact O-N 3.49Å; L777-H779 VanDerWaalsContact C-N 3.35Å; L777-H779 PolarHBondContact O-N 3.28Å; H779-N783 WeakPolarHBondContact O-CB 3.29Å; H779-N783 PolarHBondContact O-N 3.44Å; H779-N783 PolarHBondContact O-ND2 3.47Å
780	T	85.7	Confident	85.2	Confident	68 Å²	68	60.9 Å²	60.9	42%	0.417	32%	0.315	S	S	.	.	H	α-helix	trans	-65.9	-41.1	178.6	-58.1	0	0	0	0	111.3	Y776 L777 I778 N784	Y776-T780 WeakPolarHBondContact O-CB 3.46Å; Y776-T780 PolarHBondContact O-N 3Å; Y776-T780 PolarHBondContact O-OG1 3.2Å; L777-T780 PolarHBondContact O-N 3.05Å; L777-T780 VanDerWaalsContact O-N 3.13Å; I778-T780 VanDerWaalsContact C-N 3.3Å; I778-T780 PolarHBondContact O-N 3Å; T780-N784 WeakPolarHBondContact O-CB 3.32Å; T780-N784 PolarHBondContact O-N 3.27Å; T780-N784 PolarHBondContact O-ND2 3.28Å
781	L	88.3	Confident	84.5	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-75.7	-40.7	-178	-69.1	171.7	0	0	0	112.5	M746 A751 L754 M773 L777 I778 N784 N785 K786 I787	M746-L781 HydrophobicContact SD-CD1 4.1Å; M746-L781 HydrophobicContact SD-CD2 3.77Å; M746-L781 HydrophobicContact SD-CG 4.37Å; A751-L781 HydrophobicContact CB-CD2 3.54Å; L754-L781 HydrophobicContact CD2-CD1 4.07Å; M773-L781 HydrophobicContact CE-CD1 4.03Å; M773-L781 HydrophobicContact SD-CD1 3.87Å; L777-L781 WeakPolarHBondContact O-CB 3.41Å; L777-L781 WeakPolarHBondContact O-CG 3.33Å; L777-L781 PolarHBondContact O-N 3.39Å; I778-L781 PolarHBondContact O-N 2.9Å; L781-N784 PolarHBondContact O-N 3.18Å; L781-N785 PolarHBondContact O-N 2.98Å; L781-K786 HydrophobicContact CB-CB 4.35Å; L781-K786 HydrophobicContact CD2-CB 3.6Å; L781-K786 HydrophobicContact CD2-CG 4.26Å; L781-K786 PolarHBondContact O-N 2.98Å; L781-I787 HydrophobicContact CB-CD1 3.56Å; L781-I787 HydrophobicContact CB-CG1 3.89Å; L781-I787 HydrophobicContact CD1-CD1 3.56Å; L781-I787 HydrophobicContact CD1-CG1 4.19Å; L781-I787 HydrophobicContact CG-CD1 4.15Å
782	Q	86	Confident	84.2	Confident	85 Å²	85	65.4 Å²	65.4	40%	0.397	34%	0.335	S	S	.	.	H	α-helix	trans	-66.3	-48.9	176.5	-72.4	178.9	-28.9	0	0	111.6	I778 N784 N785	I778-Q782 HydrophobicContact CG2-CG 4.21Å; I778-Q782 WeakPolarHBondContact O-CB 3.43Å; I778-Q782 WeakPolarHBondContact O-CG 3.37Å; I778-Q782 PolarHBondContact O-N 3.27Å; Q782-N784 PolarHBondContact O-N 2.92Å; Q782-N784 VanDerWaalsContact O-N 3.09Å; Q782-N785 PolarHBondContact O-N 3Å; Q782-N785 VanDerWaalsContact O-N 3.12Å; Q782-N785 PolarHBondContact O-OD1 3.33Å
783	N	83.4	Confident	84.2	Confident	128 Å²	128	62.7 Å²	62.7	68%	0.684	32%	0.323	S	S	*	.	H	α-helix	trans	-63.3	-20.9	-179.2	-69	-11.2	0	0	0	113.4	H779	H779-N783 WeakPolarHBondContact O-CB 3.29Å; H779-N783 PolarHBondContact O-N 3.44Å; H779-N783 PolarHBondContact O-ND2 3.47Å
784	N	83.8	Confident	84.3	Confident	97 Å²	97	62.4 Å²	62.4	52%	0.519	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	13	-179.5	-67.7	-64.8	0	0	0	113.1	T780 L781 Q782 K786	T780-N784 WeakPolarHBondContact O-CB 3.32Å; T780-N784 PolarHBondContact O-N 3.27Å; T780-N784 PolarHBondContact O-ND2 3.28Å; L781-N784 PolarHBondContact O-N 3.18Å; Q782-N784 PolarHBondContact O-N 2.92Å; Q782-N784 VanDerWaalsContact O-N 3.09Å; N784-K786 HydrophobicContact CB-CG 3.92Å; N784-K786 PolarHBondContact O-N 2.89Å; N784-K786 VanDerWaalsContact O-N 3.16Å
785	N	84	Confident	84.4	Confident	122 Å²	122	59.8 Å²	59.8	65%	0.652	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.4	179.8	-59.6	-19.2	0	0	0	113.4	K755 L781 Q782	K755-N785 PolarHBondContact NZ-O 3.5Å; L781-N785 PolarHBondContact O-N 2.98Å; Q782-N785 PolarHBondContact O-N 3Å; Q782-N785 VanDerWaalsContact O-N 3.12Å; Q782-N785 PolarHBondContact O-OD1 3.33Å
786	K	83.8	Confident	84.6	Confident	36 Å²	36	59.1 Å²	59.1	16%	0.157	31%	0.31	C	S	.	.			trans	-92.4	-11.2	-179.5	-61	-61.1	-172.5	-177.8	0	113.3	A751 D752 K755 L781 N784	A751-K786 HydrophobicContact CB-CB 4.28Å; A751-K786 HydrophobicContact CB-CD 4.37Å; A751-K786 HydrophobicContact CB-CG 3.98Å; D752-K786 IonicContact OD1-NZ 3.67Å; D752-K786 PolarHBondContact OD1-NZ 3.31Å; D752-K786 IonicContact OD2-NZ 3.19Å; D752-K786 PolarHBondContact OD2-NZ 3.19Å; K755-K786 VanDerWaalsContact CB-O 3.29Å; K755-K786 WeakPolarHBondContact CB-O 3.32Å; K755-K786 WeakPolarHBondContact CG-O 3.15Å; L781-K786 HydrophobicContact CB-CB 4.35Å; L781-K786 HydrophobicContact CD2-CB 3.6Å; L781-K786 HydrophobicContact CD2-CG 4.26Å; L781-K786 PolarHBondContact O-N 2.98Å; N784-K786 HydrophobicContact CB-CG 3.92Å; N784-K786 PolarHBondContact O-N 2.89Å; N784-K786 VanDerWaalsContact O-N 3.16Å
787	I	80.6	Confident	84.9	Confident	17 Å²	17	55.6 Å²	55.6	9%	0.087	30%	0.297	C	S	.	.	S	Bend	trans	-120.6	137.7	171.4	-69.4	171.8	0	0	0	106.7	L770 L781 T791 I793	L770-I787 HydrophobicContact CD1-CD1 3.64Å; L770-I787 HydrophobicContact CD1-CG1 4.29Å; L781-I787 HydrophobicContact CB-CD1 3.56Å; L781-I787 HydrophobicContact CB-CG1 3.89Å; L781-I787 HydrophobicContact CD1-CD1 3.56Å; L781-I787 HydrophobicContact CD1-CG1 4.19Å; L781-I787 HydrophobicContact CG-CD1 4.15Å; I787-T791 VanDerWaalsContact CG2-CB 3.44Å; I787-T791 HydrophobicContact CG2-CG2 3.9Å; I787-I793 HydrophobicContact CD1-CD1 4.26Å
788	G	71.4	Confident	85.1	Confident	28 Å²	28	56.6 Å²	56.6	29%	0.289	30%	0.301	S	S	.	.			trans	-73.5	153.4	175.6	0	0	0	0	0	111.7	L790 T791	G788-L790 PolarHBondContact O-N 3.02Å; G788-T791 PolarHBondContact O-N 3.27Å
789	D	67.3	Low	85.3	Confident	176 Å²	176	56.3 Å²	56.3	94%	0.941	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.1	179.5	-62.6	-28.7	0	0	0	113.1
790	L	68.3	Low	85.7	Confident	146 Å²	146	52.8 Å²	52.8	76%	0.764	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-22.1	179.1	-65.4	170.3	0	0	0	113.6	G788 K792	G788-L790 PolarHBondContact O-N 3.02Å; L790-K792 PolarHBondContact O-N 3.15Å; L790-K792 VanDerWaalsContact O-N 3.16Å
791	T	80.6	Confident	86.1	Confident	10 Å²	10	49.5 Å²	49.5	6%	0.061	26%	0.264	C	S	.	.			trans	-77.4	105.6	-176	-47.3	0	0	0	0	109.7	I758 E762 L770 I787 G788	I758-T791 HydrophobicContact CD1-CG2 4.41Å; E762-T791 PolarHBondContact OE1-OG1 3.12Å; L770-T791 HydrophobicContact CD1-CG2 3.95Å; L770-T791 HydrophobicContact CG-CG2 3.95Å; I787-T791 VanDerWaalsContact CG2-CB 3.44Å; I787-T791 HydrophobicContact CG2-CG2 3.9Å; G788-T791 PolarHBondContact O-N 3.27Å
792	K	89.1	Confident	86.3	Confident	84 Å²	84	51.8 Å²	51.8	37%	0.365	28%	0.275	S	S	.	.			trans	-79.7	141.2	-178.1	-65	178.2	-176.5	173.4	0	112	L769 L770 L790 Y794 D803	L769-K792 HydrophobicContact CD2-CB 4.18Å; L770-K792 PolarHBondContact N-O 3.32Å; L790-K792 PolarHBondContact O-N 3.15Å; L790-K792 VanDerWaalsContact O-N 3.16Å; K792-Y794 HydrophobicContact CB-CE2 3.57Å; K792-Y794 WeakPolarHBondContact CD-OH 3.47Å; K792-D803 IonicContact NZ-OD2 3.54Å
793	I	93.5	Very high	86.6	Confident	16 Å²	16	48.7 Å²	48.7	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133	177.3	-50.1	179.5	0	0	0	109.6	K29 L770 M773 I778 I787	K29-I793 HydrophobicContact CB-CB 4.14Å; K29-I793 HydrophobicContact CB-CG2 4.08Å; K29-I793 VanDerWaalsContact CB-O 3.25Å; K29-I793 WeakPolarHBondContact CB-O 3.48Å; K29-I793 HydrophobicContact CG-CG2 4.39Å; K29-I793 PolarHBondContact N-O 3.4Å; L770-I793 HydrophobicContact CB-CG1 4.29Å; L770-I793 HydrophobicContact CB-CG2 4.48Å; L770-I793 HydrophobicContact CD1-CG1 4.38Å; L770-I793 CarbonylContact O-C 3.54Å; L770-I793 VanDerWaalsContact O-CA 3.26Å; L770-I793 WeakPolarHBondContact O-CA 3.35Å; M773-I793 HydrophobicContact CB-CG2 4.3Å; I778-I793 HydrophobicContact CB-CD1 4.47Å; I778-I793 HydrophobicContact CD1-CD1 4.42Å; I778-I793 HydrophobicContact CD1-CG2 3.93Å; I778-I793 HydrophobicContact CG1-CD1 4.07Å; I778-I793 HydrophobicContact CG1-CG2 4.45Å; I778-I793 HydrophobicContact CG2-CD1 3.81Å; I787-I793 HydrophobicContact CD1-CD1 4.26Å
794	Y	95.4	Very high	87	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.9	-177.6	-62.6	-96.3	0	0	0	111.7	F27 N28 L769 L770 Q772 K792 T796 D799 A800 D803	F27-Y794 WeakPolarHBondContact O-CD1 3.42Å; N28-Y794 WeakPolarHBondContact OD1-CE1 3.46Å; L769-Y794 HydrophobicContact CB-CD2 4.3Å; L769-Y794 HydrophobicContact CB-CE2 3.99Å; L769-Y794 HydrophobicContact CD1-CE2 4.01Å; L769-Y794 HydrophobicContact CD2-CE2 3.97Å; L769-Y794 HydrophobicContact CG-CE2 4.21Å; L770-Y794 PolarHBondContact O-N 2.98Å; Q772-Y794 PolarHBondContact N-O 3.15Å; K792-Y794 HydrophobicContact CB-CE2 3.57Å; K792-Y794 WeakPolarHBondContact CD-OH 3.47Å; Y794-T796 VanDerWaalsContact C-N 3.29Å; Y794-T796 WeakPolarHBondContact CB-O 3.35Å; Y794-T796 PolarHBondContact O-N 3.05Å; Y794-D799 HydrophobicContact CD1-CB 3.91Å; Y794-A800 HydrophobicContact CD1-CB 4.28Å; Y794-A800 HydrophobicContact CD2-CB 3.57Å; Y794-A800 HydrophobicContact CE2-CB 4.19Å; Y794-A800 HydrophobicContact CG-CB 3.65Å; Y794-D803 HydrophobicContact CE1-CB 3.7Å; Y794-D803 PolarHBondContact OH-OD2 3.05Å
795	P	92.1	Very high	87.3	Confident	20 Å²	20	40 Å²	40	13%	0.13	22%	0.215	C	C	.	.	S	Bend	trans	-70.4	-26.5	177.3	30.8	-34.4	0	0	0	112.2	F27 F32 Q772 D799	F27-P795 HydrophobicContact CB-CG 3.89Å; F27-P795 WeakPolarHBondContact O-CD 3.11Å; F32-P795 HydrophobicContact CB-CB 4.16Å; F32-P795 HydrophobicContact CB-CG 3.97Å; F32-P795 HydrophobicContact CD1-CB 4.06Å; F32-P795 HydrophobicContact CD2-CB 4.28Å; F32-P795 HydrophobicContact CD2-CG 4.32Å; F32-P795 HydrophobicContact CG-CB 3.88Å; F32-P795 HydrophobicContact CG-CG 4.09Å; Q772-P795 WeakPolarHBondContact CG-O 3.36Å; P795-D799 WeakPolarHBondContact CG-OD2 2.8Å
796	T	93.4	Very high	87.7	Confident	33 Å²	33	38.1 Å²	38.1	20%	0.202	21%	0.205	C	C	.	.	S	Bend	trans	-136.4	159.7	176.7	76.3	0	0	0	0	111.7	R24 Y794 H798 D799 A800	R24-T796 PolarHBondContact NH2-OG1 3.09Å; Y794-T796 VanDerWaalsContact C-N 3.29Å; Y794-T796 WeakPolarHBondContact CB-O 3.35Å; Y794-T796 PolarHBondContact O-N 3.05Å; T796-H798 VanDerWaalsContact C-N 3.28Å; T796-H798 PolarHBondContact OG1-N 2.91Å; T796-D799 WeakPolarHBondContact CB-OD2 3.4Å; T796-D799 PolarHBondContact O-N 3.15Å; T796-D799 PolarHBondContact OG1-N 3.33Å; T796-D799 VanDerWaalsContact OG1-N 3.07Å; T796-D799 PolarHBondContact OG1-OD2 3.38Å; T796-A800 PolarHBondContact O-N 3.29Å
797	I	93.5	Very high	87.9	Confident	7 Å²	7	38.1 Å²	38.1	4%	0.036	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-38.7	173.2	-55	167.8	0	0	0	109.9	I569 Y578 I595 D739 A771 Q772 D799 A800 V801	I569-I797 HydrophobicContact CD1-CD1 3.85Å; Y578-I797 HydrophobicContact CD1-CG2 3.85Å; Y578-I797 HydrophobicContact CD2-CB 3.88Å; Y578-I797 HydrophobicContact CD2-CD1 4.44Å; Y578-I797 HydrophobicContact CD2-CG2 3.76Å; Y578-I797 HydrophobicContact CE1-CG2 3.9Å; Y578-I797 HydrophobicContact CE2-CB 4Å; Y578-I797 HydrophobicContact CE2-CG2 3.83Å; Y578-I797 HydrophobicContact CG-CB 4.31Å; Y578-I797 HydrophobicContact CG-CD1 4.41Å; Y578-I797 HydrophobicContact CG-CG2 3.78Å; I595-I797 HydrophobicContact CD1-CG2 4.12Å; I595-I797 HydrophobicContact CG2-CG2 3.94Å; D739-I797 HydrophobicContact CB-CD1 4.02Å; D739-I797 HydrophobicContact CB-CG1 4.36Å; D739-I797 VanDerWaalsContact OD2-CD1 3.29Å; D739-I797 WeakPolarHBondContact OD2-CD1 3.22Å; A771-I797 HydrophobicContact CB-CB 4.42Å; A771-I797 HydrophobicContact CB-CG1 3.99Å; Q772-I797 HydrophobicContact CG-CG1 4.4Å; I797-D799 VanDerWaalsContact C-N 3.33Å; I797-D799 PolarHBondContact O-N 3.13Å; I797-A800 PolarHBondContact O-N 2.83Å; I797-V801 HydrophobicContact CG2-CG2 4.17Å; I797-V801 WeakPolarHBondContact O-CG2 3.21Å; I797-V801 PolarHBondContact O-N 3.36Å
798	H	93.2	Very high	88.3	Confident	27 Å²	27	38.1 Å²	38.1	13%	0.125	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-40.2	-179.8	-166.4	61.4	0	0	0	112.4	E576 Y578 T796 V801 N802	E576-H798 HydrophobicContact CB-CB 4.28Å; E576-H798 IonicContact OE1-CD2 3.78Å; E576-H798 IonicContact OE1-NE2 3.37Å; Y578-H798 HydrophobicContact CE2-CB 3.91Å; Y578-H798 PolarHBondContact OH-ND1 3.22Å; T796-H798 VanDerWaalsContact C-N 3.28Å; T796-H798 PolarHBondContact OG1-N 2.91Å; H798-V801 PolarHBondContact O-N 3.35Å; H798-N802 PolarHBondContact CD2-ND2 3.41Å; H798-N802 PolarHBondContact NE2-ND2 3.5Å; H798-N802 WeakPolarHBondContact O-CB 3.3Å; H798-N802 VanDerWaalsContact O-CG 3.25Å; H798-N802 PolarHBondContact O-N 2.84Å; H798-N802 PolarHBondContact O-ND2 3.02Å
799	D	93.2	Very high	89.1	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-46.3	173.7	-64.1	-56.8	0	0	0	111	R24 L26 F27 Y794 P795 T796 I797 V801 N802 D803	R24-D799 IonicContact CZ-OD1 3Å; R24-D799 IonicContact CZ-OD2 3.67Å; R24-D799 IonicContact NH1-OD1 3.13Å; R24-D799 PolarHBondContact NH1-OD1 3.4Å; R24-D799 IonicContact NH1-OD2 2.7Å; R24-D799 PolarHBondContact NH1-OD2 3.45Å; R24-D799 IonicContact NH2-OD1 2.86Å; R24-D799 PolarHBondContact NH2-OD1 3.39Å; R24-D799 IonicContact NH2-OD2 2.72Å; R24-D799 PolarHBondContact NH2-OD2 3.16Å; L26-D799 HydrophobicContact CD1-CB 3.9Å; L26-D799 WeakPolarHBondContact CD1-O 3.48Å; F27-D799 WeakPolarHBondContact O-CB 3.44Å; Y794-D799 HydrophobicContact CD1-CB 3.91Å; P795-D799 WeakPolarHBondContact CG-OD2 2.8Å; T796-D799 WeakPolarHBondContact CB-OD2 3.4Å; T796-D799 PolarHBondContact O-N 3.15Å; T796-D799 PolarHBondContact OG1-N 3.33Å; T796-D799 VanDerWaalsContact OG1-N 3.07Å; T796-D799 PolarHBondContact OG1-OD2 3.38Å; I797-D799 VanDerWaalsContact C-N 3.33Å; I797-D799 PolarHBondContact O-N 3.13Å; D799-V801 VanDerWaalsContact C-N 3.34Å; D799-V801 PolarHBondContact O-N 3.4Å; D799-N802 PolarHBondContact O-N 2.88Å; D799-D803 PolarHBondContact O-N 3.22Å
800	A	93.9	Very high	90	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-42.3	178	0	0	0	0	0	112.6	I737 L769 A771 Y794 T796 I797 D803 A804	I737-A800 HydrophobicContact CD1-CB 3.94Å; I737-A800 HydrophobicContact CG1-CB 4.46Å; I737-A800 HydrophobicContact CG2-CB 3.86Å; L769-A800 HydrophobicContact CD1-CB 4.38Å; A771-A800 HydrophobicContact CB-CB 4.25Å; Y794-A800 HydrophobicContact CD1-CB 4.28Å; Y794-A800 HydrophobicContact CD2-CB 3.57Å; Y794-A800 HydrophobicContact CE2-CB 4.19Å; Y794-A800 HydrophobicContact CG-CB 3.65Å; T796-A800 PolarHBondContact O-N 3.29Å; I797-A800 PolarHBondContact O-N 2.83Å; A800-D803 PolarHBondContact O-N 2.87Å; A800-A804 WeakPolarHBondContact O-CB 3.26Å; A800-A804 PolarHBondContact O-N 2.77Å
801	V	93.4	Very high	90.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-45.6	178.6	170.6	0	0	0	0	111.2	Y578 I595 I737 I797 H798 D799 D803 A804 I805	Y578-V801 HydrophobicContact CE1-CG2 3.81Å; Y578-V801 VanDerWaalsContact OH-CB 3.28Å; Y578-V801 WeakPolarHBondContact OH-CB 3.34Å; Y578-V801 WeakPolarHBondContact OH-CG1 3.17Å; Y578-V801 WeakPolarHBondContact OH-CG2 3.3Å; I595-V801 HydrophobicContact CD1-CG2 3.45Å; I595-V801 VanDerWaalsContact CD1-CG2 3.45Å; I595-V801 HydrophobicContact CG1-CG2 4.3Å; I737-V801 HydrophobicContact CD1-CB 4.29Å; I737-V801 HydrophobicContact CD1-CG2 3.49Å; I737-V801 VanDerWaalsContact CD1-CG2 3.49Å; I797-V801 HydrophobicContact CG2-CG2 4.17Å; I797-V801 WeakPolarHBondContact O-CG2 3.21Å; I797-V801 PolarHBondContact O-N 3.36Å; H798-V801 PolarHBondContact O-N 3.35Å; D799-V801 VanDerWaalsContact C-N 3.34Å; D799-V801 PolarHBondContact O-N 3.4Å; V801-D803 VanDerWaalsContact C-N 3.32Å; V801-D803 PolarHBondContact O-N 3.29Å; V801-A804 PolarHBondContact O-N 3.19Å; V801-I805 HydrophobicContact CG1-CD1 3.72Å; V801-I805 HydrophobicContact CG1-CG1 4.31Å; V801-I805 VanDerWaalsContact O-CG1 3.28Å; V801-I805 WeakPolarHBondContact O-CG1 3.48Å; V801-I805 PolarHBondContact O-N 3.35Å
802	N	92	Very high	90.4	Very high	50 Å²	50	35.6 Å²	35.6	27%	0.267	18%	0.183	S	C	.	.	H	α-helix	trans	-62.1	-40.3	177.9	-73.6	-19.6	0	0	0	111.7	L26 H798 D799 I805 N806	L26-N802 HydrophobicContact CD1-CB 3.98Å; H798-N802 PolarHBondContact CD2-ND2 3.41Å; H798-N802 PolarHBondContact NE2-ND2 3.5Å; H798-N802 WeakPolarHBondContact O-CB 3.3Å; H798-N802 VanDerWaalsContact O-CG 3.25Å; H798-N802 PolarHBondContact O-N 2.84Å; H798-N802 PolarHBondContact O-ND2 3.02Å; D799-N802 PolarHBondContact O-N 2.88Å; N802-I805 PolarHBondContact O-N 2.79Å; N802-N806 WeakPolarHBondContact O-CB 2.99Å; N802-N806 PolarHBondContact O-N 3.09Å; N802-N806 PolarHBondContact O-ND2 3.18Å
803	D	91.9	Very high	89.6	Confident	21 Å²	21	36.3 Å²	36.3	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-42.8	174.1	-164.7	53.9	0	0	0	111.8	L26 K792 Y794 D799 A800 V801 I805 N806 Q807	L26-D803 HydrophobicContact CD1-CB 4.48Å; L26-D803 HydrophobicContact CD2-CB 3.96Å; K792-D803 IonicContact NZ-OD2 3.54Å; Y794-D803 HydrophobicContact CE1-CB 3.7Å; Y794-D803 PolarHBondContact OH-OD2 3.05Å; D799-D803 PolarHBondContact O-N 3.22Å; A800-D803 PolarHBondContact O-N 2.87Å; V801-D803 VanDerWaalsContact C-N 3.32Å; V801-D803 PolarHBondContact O-N 3.29Å; D803-I805 PolarHBondContact O-N 3.15Å; D803-N806 PolarHBondContact O-N 3.2Å; D803-Q807 WeakPolarHBondContact O-CG 3.14Å; D803-Q807 PolarHBondContact O-N 3.11Å; D803-Q807 PolarHBondContact OD2-NE2 2.88Å
804	A	92	Very high	88.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-42	175.9	0	0	0	0	0	112.3	I593 F735 L769 A800 V801 Q807 L808	I593-A804 HydrophobicContact CD1-CB 3.74Å; I593-A804 HydrophobicContact CG1-CB 4.14Å; F735-A804 HydrophobicContact CB-CB 4.17Å; F735-A804 HydrophobicContact CD1-CB 3.77Å; F735-A804 HydrophobicContact CD2-CB 4.06Å; F735-A804 HydrophobicContact CE1-CB 4.16Å; F735-A804 HydrophobicContact CE2-CB 4.44Å; F735-A804 HydrophobicContact CG-CB 3.72Å; F735-A804 HydrophobicContact CZ-CB 4.49Å; L769-A804 HydrophobicContact CD1-CB 4.14Å; A800-A804 WeakPolarHBondContact O-CB 3.26Å; A800-A804 PolarHBondContact O-N 2.77Å; V801-A804 PolarHBondContact O-N 3.19Å; A804-Q807 PolarHBondContact O-N 3.09Å; A804-L808 VanDerWaalsContact O-CB 3.29Å; A804-L808 WeakPolarHBondContact O-CB 3.43Å; A804-L808 PolarHBondContact O-N 3.41Å
805	I	91.4	Very high	86.9	Confident	41 Å²	41	48.2 Å²	48.2	21%	0.21	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-44.8	174.5	-67.9	167.6	0	0	0	110.5	I593 V801 N802 D803 L808 N809	I593-I805 HydrophobicContact CD1-CG1 3.61Å; V801-I805 HydrophobicContact CG1-CD1 3.72Å; V801-I805 HydrophobicContact CG1-CG1 4.31Å; V801-I805 VanDerWaalsContact O-CG1 3.28Å; V801-I805 WeakPolarHBondContact O-CG1 3.48Å; V801-I805 PolarHBondContact O-N 3.35Å; N802-I805 PolarHBondContact O-N 2.79Å; D803-I805 PolarHBondContact O-N 3.15Å; I805-L808 PolarHBondContact O-N 3.44Å; I805-N809 VanDerWaalsContact O-CG 3.28Å; I805-N809 PolarHBondContact O-N 3.49Å; I805-N809 PolarHBondContact O-ND2 2.95Å
806	N	91	Very high	85.1	Confident	83 Å²	83	56.6 Å²	56.6	44%	0.444	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-47.5	177.1	-73.7	-21.7	0	0	0	111.4	N802 D803 L808 N809 T810	N802-N806 WeakPolarHBondContact O-CB 2.99Å; N802-N806 PolarHBondContact O-N 3.09Å; N802-N806 PolarHBondContact O-ND2 3.18Å; D803-N806 PolarHBondContact O-N 3.2Å; N806-L808 VanDerWaalsContact C-N 3.33Å; N806-L808 PolarHBondContact O-N 2.96Å; N806-N809 PolarHBondContact O-N 3.44Å; N806-T810 WeakPolarHBondContact O-CG2 3.33Å; N806-T810 PolarHBondContact O-N 2.92Å
807	Q	89.4	Confident	83.2	Confident	37 Å²	37	59.9 Å²	59.9	17%	0.173	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-42.6	176.6	-70.8	-173.6	42.4	0	0	111.4	F735 D803 A804 N809 T810 M811	F735-Q807 HydrophobicContact CE1-CB 4.28Å; F735-Q807 HydrophobicContact CE2-CB 4.45Å; F735-Q807 HydrophobicContact CZ-CB 3.6Å; F735-Q807 HydrophobicContact CZ-CG 4.47Å; D803-Q807 WeakPolarHBondContact O-CG 3.14Å; D803-Q807 PolarHBondContact O-N 3.11Å; D803-Q807 PolarHBondContact OD2-NE2 2.88Å; A804-Q807 PolarHBondContact O-N 3.09Å; Q807-N809 VanDerWaalsContact C-N 3.33Å; Q807-N809 PolarHBondContact O-N 2.9Å; Q807-T810 PolarHBondContact O-N 2.77Å; Q807-T810 VanDerWaalsContact O-N 3.15Å; Q807-T810 PolarHBondContact O-OG1 2.75Å; Q807-M811 WeakPolarHBondContact O-CG 3.47Å; Q807-M811 PolarHBondContact O-N 2.69Å
808	L	88.2	Confident	81.2	Confident	17 Å²	17	68.5 Å²	68.5	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-61.6	-40.6	176.7	-174.8	71.8	0	0	0	112.4	K592 F735 A804 I805 N806 T810 M811 K812	K592-L808 HydrophobicContact CB-CD1 4.18Å; K592-L808 HydrophobicContact CB-CD2 3.96Å; K592-L808 HydrophobicContact CD-CD1 3.31Å; K592-L808 HydrophobicContact CD-CD2 3.78Å; K592-L808 HydrophobicContact CD-CG 4.1Å; K592-L808 HydrophobicContact CG-CD1 4.38Å; K592-L808 HydrophobicContact CG-CD2 4.34Å; F735-L808 HydrophobicContact CE2-CB 4.37Å; A804-L808 VanDerWaalsContact O-CB 3.29Å; A804-L808 WeakPolarHBondContact O-CB 3.43Å; A804-L808 PolarHBondContact O-N 3.41Å; I805-L808 PolarHBondContact O-N 3.44Å; N806-L808 VanDerWaalsContact C-N 3.33Å; N806-L808 PolarHBondContact O-N 2.96Å; L808-T810 VanDerWaalsContact C-N 3.34Å; L808-M811 PolarHBondContact O-N 3.35Å; L808-K812 WeakPolarHBondContact O-CG 3.44Å; L808-K812 PolarHBondContact O-N 3.24Å; L808-K812 VanDerWaalsContact O-N 3.08Å
809	N	88	Confident	78.9	Confident	72 Å²	72	74 Å²	74	39%	0.385	36%	0.355	S	S	.	.	H	α-helix	trans	-64.1	-39.9	175.1	-71.6	-24.2	0	0	0	111.4	I805 N806 Q807 M811 K812 I813	I805-N809 VanDerWaalsContact O-CG 3.28Å; I805-N809 PolarHBondContact O-N 3.49Å; I805-N809 PolarHBondContact O-ND2 2.95Å; N806-N809 PolarHBondContact O-N 3.44Å; Q807-N809 VanDerWaalsContact C-N 3.33Å; Q807-N809 PolarHBondContact O-N 2.9Å; N809-M811 PolarHBondContact O-N 2.93Å; N809-K812 PolarHBondContact O-N 3.38Å; N809-I813 WeakPolarHBondContact O-CD1 3.44Å; N809-I813 VanDerWaalsContact O-CG1 3.29Å; N809-I813 WeakPolarHBondContact O-CG1 3.34Å; N809-I813 PolarHBondContact O-N 3.25Å; N809-I813 VanDerWaalsContact O-N 3.12Å
810	T	86.4	Confident	76.3	Confident	75 Å²	75	80.8 Å²	80.8	46%	0.46	38%	0.384	S	S	.	.	H	α-helix	trans	-65.3	-36.2	175	64.9	0	0	0	0	113	N806 Q807 L808 I813 K814	N806-T810 WeakPolarHBondContact O-CG2 3.33Å; N806-T810 PolarHBondContact O-N 2.92Å; Q807-T810 PolarHBondContact O-N 2.77Å; Q807-T810 VanDerWaalsContact O-N 3.15Å; Q807-T810 PolarHBondContact O-OG1 2.75Å; L808-T810 VanDerWaalsContact C-N 3.34Å; T810-I813 PolarHBondContact O-N 3.44Å; T810-K814 WeakPolarHBondContact O-CG 3.38Å; T810-K814 PolarHBondContact O-N 3.19Å; T810-K814 VanDerWaalsContact O-N 3.13Å
811	M	79.9	Confident	73.8	Confident	65 Å²	65	85 Å²	85	32%	0.32	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-46.2	175.1	-68.1	176.1	-175.4	0	0	111.4	F735 I767 Q807 L808 N809 I813 K814 E815	F735-M811 HydrophobicContact CZ-CE 4.29Å; I767-M811 HydrophobicContact CD1-CE 4.01Å; Q807-M811 WeakPolarHBondContact O-CG 3.47Å; Q807-M811 PolarHBondContact O-N 2.69Å; L808-M811 PolarHBondContact O-N 3.35Å; N809-M811 PolarHBondContact O-N 2.93Å; M811-I813 VanDerWaalsContact C-N 3.29Å; M811-I813 PolarHBondContact O-N 3.04Å; M811-K814 PolarHBondContact O-N 2.8Å; M811-K814 VanDerWaalsContact O-N 3.16Å; M811-E815 PolarHBondContact O-N 3.49Å
812	K	78.2	Confident	71.3	Confident	95 Å²	95	91 Å²	91	41%	0.413	45%	0.448	S	S	.	.	H	α-helix	trans	-59.9	-36.3	176.7	-71.7	176.4	-179.9	177.4	0	113	L808 N809 R816	L808-K812 WeakPolarHBondContact O-CG 3.44Å; L808-K812 PolarHBondContact O-N 3.24Å; L808-K812 VanDerWaalsContact O-N 3.08Å; N809-K812 PolarHBondContact O-N 3.38Å; K812-R816 PolarHBondContact O-N 3.02Å
813	I	72.3	Confident	68.8	Low	99 Å²	99	96.4 Å²	96.4	51%	0.508	47%	0.472	S	S	.	.	H	α-helix	trans	-69.3	-41.4	177.2	-66.7	164.3	0	0	0	110.7	N809 T810 M811 R816 N817	N809-I813 WeakPolarHBondContact O-CD1 3.44Å; N809-I813 VanDerWaalsContact O-CG1 3.29Å; N809-I813 WeakPolarHBondContact O-CG1 3.34Å; N809-I813 PolarHBondContact O-N 3.25Å; N809-I813 VanDerWaalsContact O-N 3.12Å; T810-I813 PolarHBondContact O-N 3.44Å; M811-I813 VanDerWaalsContact C-N 3.29Å; M811-I813 PolarHBondContact O-N 3.04Å; I813-R816 PolarHBondContact O-N 3.42Å; I813-N817 PolarHBondContact O-N 3.38Å; I813-N817 VanDerWaalsContact O-N 3.09Å
814	K	68.4	Low	66.4	Low	147 Å²	147	101.7 Å²	101.7	64%	0.639	51%	0.505	S	S	*	.	H	α-helix	trans	-62.4	-43.2	176.4	-73.7	179.7	179.4	-178.6	0	112	T810 M811 N817 F818	T810-K814 WeakPolarHBondContact O-CG 3.38Å; T810-K814 PolarHBondContact O-N 3.19Å; T810-K814 VanDerWaalsContact O-N 3.13Å; M811-K814 PolarHBondContact O-N 2.8Å; M811-K814 VanDerWaalsContact O-N 3.16Å; K814-N817 PolarHBondContact O-N 3.3Å; K814-F818 PolarHBondContact O-N 3.37Å; K814-F818 VanDerWaalsContact O-N 3.15Å
815	E	63.9	Low	63.8	Low	120 Å²	120	106.2 Å²	106.2	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-61.1	-44.3	175.9	-72.8	172.6	174.1	0	0	112.2	M811 N817 F818 L819	M811-E815 PolarHBondContact O-N 3.49Å; E815-N817 VanDerWaalsContact C-N 3.31Å; E815-N817 PolarHBondContact O-N 3.15Å; E815-F818 PolarHBondContact O-N 3.36Å; E815-L819 PolarHBondContact O-N 2.69Å; E815-L819 VanDerWaalsContact O-N 3.15Å
816	R	53.3	Low	61.1	Low	196 Å²	196	112.3 Å²	112.3	74%	0.74	57%	0.569	S	S	*	*	H	α-helix	trans	-63.7	-33.9	176.5	-81.9	-176.1	177.3	174.7	-0.8	113.5	K812 I813 K820	K812-R816 PolarHBondContact O-N 3.02Å; I813-R816 PolarHBondContact O-N 3.42Å; R816-K820 PolarHBondContact O-N 3.26Å
817	N	54.2	Low	58.7	Low	101 Å²	101	114.6 Å²	114.6	54%	0.54	59%	0.586	S	S	.	*	H	α-helix	trans	-74.1	-29.6	178	-72.2	-15.4	0	0	0	112.4	I813 K814 E815	I813-N817 PolarHBondContact O-N 3.38Å; I813-N817 VanDerWaalsContact O-N 3.09Å; K814-N817 PolarHBondContact O-N 3.3Å; E815-N817 VanDerWaalsContact C-N 3.31Å; E815-N817 PolarHBondContact O-N 3.15Å
818	F	50.7	Low	56.5	Low	188 Å²	188	122.5 Å²	122.5	83%	0.825	64%	0.64	S	S	*	*	H	α-helix	trans	-72.6	-31.5	172.4	-99.4	-83.6	0	0	0	113.3	K814 E815	K814-F818 PolarHBondContact O-N 3.37Å; K814-F818 VanDerWaalsContact O-N 3.15Å; E815-F818 PolarHBondContact O-N 3.36Å
819	L	45.4	Very low	54.9	Low	143 Å²	143	127.8 Å²	127.8	75%	0.749	67%	0.668	S	S	*	*	S	Bend	trans	-86.6	-6.7	-178.9	-73.4	167.3	0	0	0	114.4	E815 P821	E815-L819 PolarHBondContact O-N 2.69Å; E815-L819 VanDerWaalsContact O-N 3.15Å; L819-P821 VanDerWaalsContact O-CD 3.3Å; L819-P821 WeakPolarHBondContact O-CD 3.44Å
820	K	38.2	Very low	53.2	Low	147 Å²	147	130.7 Å²	130.7	64%	0.639	68%	0.683	S	S	*	*	S	Bend	trans	-66.4	117.6	168.8	-82.9	-176.9	176.5	-178	0	107.4	R816 V822	R816-K820 PolarHBondContact O-N 3.26Å; K820-V822 PolarHBondContact O-N 3.22Å
821	P	41	Very low	51.4	Low	89 Å²	89	133.8 Å²	133.8	58%	0.578	70%	0.695	S	S	*	*			trans	-55.5	139.5	173.3	24.2	-30.5	0	0	0	107.4	L819 E823	L819-P821 VanDerWaalsContact O-CD 3.3Å; L819-P821 WeakPolarHBondContact O-CD 3.44Å; P821-E823 HydrophobicContact CB-CG 4.24Å; P821-E823 HydrophobicContact CG-CG 4Å; P821-E823 PolarHBondContact O-N 3.44Å
822	V	42.5	Very low	49.7	Very low	125 Å²	125	137.8 Å²	137.8	76%	0.758	72%	0.717	S	S	*	*			trans	-64.3	77.5	169.7	-178.5	0	0	0	0	106.7	K820 T824	K820-V822 PolarHBondContact O-N 3.22Å; V822-T824 PolarHBondContact O-N 3.45Å
823	E	39.1	Very low	47.9	Very low	164 Å²	164	140.5 Å²	140.5	77%	0.766	74%	0.736	S	S	*	*			trans	-84.6	7.8	178.7	-92.6	-179.5	169.6	0	0	111.8	P821	P821-E823 HydrophobicContact CB-CG 4.24Å; P821-E823 HydrophobicContact CG-CG 4Å; P821-E823 PolarHBondContact O-N 3.44Å
824	T	40.2	Very low	46.3	Very low	131 Å²	131	143.3 Å²	143.3	80%	0.804	75%	0.751	S	S	*	*			trans	-112.8	62.1	-179.5	53	0	0	0	0	111.8	V822	V822-T824 PolarHBondContact O-N 3.45Å
825	S	37.3	Very low	44.7	Very low	95 Å²	95	143 Å²	143	66%	0.664	76%	0.759	S	S	*	*	S	Bend	trans	-161.3	42.2	152.5	70.5	0	0	0	0	112.2
826	L	36.5	Very low	43.2	Very low	169 Å²	169	144.8 Å²	144.8	89%	0.885	77%	0.774	S	S	*	*			trans	-138.3	63.4	166.5	-77.1	166.4	0	0	0	108.2
827	T	40.4	Very low	42.4	Very low	132 Å²	132	140.5 Å²	140.5	81%	0.81	78%	0.777	S	S	*	*			trans	-77.9	137.9	149.5	46.2	0	0	0	0	107.1
828	P	42.9	Very low	41.3	Very low	202 Å²	202	144.1 Å²	144.1	100%	1.312	80%	0.799	S	S	*	*			trans	-62.6	0	-155.6	27.2	-36.9	0	0	0	115.4

Retrieved 828 of 828 residues in 1087.7 ms (Link to these results)

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