A0A3Q0KRK3_SCHMA Loading...

E1 ubiquitin-activating enzyme

AlphaFold DB , UniProt , Accession A0A3Q0KRK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,057 aa.

						>A0A3Q0KRK3_SCHMA|A0A3Q0KRK3
MSPTPPSKRQKILTSTENNNNNFHTNTNSNLSNGMEANGEVPDLDESLYSRQLYVYGPEGMRRMATTDILVIGLEGLGLEVAKNIILAGVKSVTLCDDTPLCMADLTSHYFANLSDIGHPRAEICKNKLSELNNHVSVRVLNKHKLGAEDFRKFSVVVLSQGSEDLCVEYGNICRSLGVKFVVTSTCGLFGKVFCDFGTDFVVYDPTGEVPPSVMIQQIEKSKQGLVTCLEETRHGFQDGDYVTFSEVKGMVELNGCEPRRVTVVGPDVFSIGDTSDFSSYISGGMCTLVKMPLKINFLPYQTAYYSPVFMTTDFVKTERPAQIHLFFKALSNYKNSNGSLPKPWCKTDSRTFVDYVHKVNEQMKNTGASVSSIDEKLAMIFGCVCSGQCSPVLSFVGSFAAQEVMKACSGKFTPLQQWMYFDATECLSMSSDEDFVVSENDAKPIGSRYDGQIAIFGRAFQEKLKGLKYFIVGSGAIGCELLKNFSLMGVGAGPSGKVVVTDMDLIERSNLNRQFLFRPWDIHKMKSVVASTAAKVINPEFNIEAHENRVGPETEKIYDDEFFEKLDGIANALDNVEARTYVDRRCVYYRKPLLESGTLGTKGNVQVVIPYLTESYSSSQDPPEKSFPACTLKNFPYLIEHTLQWARDLFEGLFVHQSQAMSSFLQDPPGFLERTLSNQGNQPLETLETLKTNLLDKRPNSFEDCVTWARLLWQDLFSNTIAQLLFNFPRDHVTSTGSDFWSGTKRCPHPLQFDVQDLTHLEFISAASNLRAECYGIPQCRNLSKISEIVQSVIVPPFVPRSGVRIDVTEAEAQARSAAPMNDTSRLEKLQKALRSFSNTSRLHINVIEFEKDDDANFHMDFITAASNLRAENYEIPPADRLKSKLIAGKIIPAIATTTSLVAGLVCLELFKLVQGHKKLELFKNAYVDLALPFTSFYEPVAPIKSKYYDTEFSLWDRFELSGPMTLQGLIDYFKDSLKLNVTMLSQDVSMLYAFFMPEAKRKERLAMSLRDLVEAVNKRKIPPHVKVLVFDVCCSDEHDKDVDVPYIRYVLEPAK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.9	Very low	30.3	Very low	248 Å²	248	164.5 Å²	164.5	100%	1.222	87%	0.867	S	S	*	*				0	91.7	0	-73	-176.8	180	0	0	107.5
2	S	27.6	Very low	30	Very low	112 Å²	112	162.2 Å²	162.2	78%	0.783	85%	0.853	S	S	*	*			trans	-136.6	132.4	174.6	-58.6	0	0	0	0	106.5
3	P	36.4	Very low	29.6	Very low	128 Å²	128	163.1 Å²	163.1	83%	0.831	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-81.3	131.2	-164.9	31.7	-32.2	0	0	0	111.5
4	T	27.4	Very low	29.5	Very low	133 Å²	133	159.9 Å²	159.9	82%	0.816	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-62.9	135.6	171	-14.6	0	0	0	0	110.6
5	P	32.6	Very low	29.1	Very low	111 Å²	111	156.8 Å²	156.8	72%	0.721	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-82.5	141.2	169.4	30.6	-27.9	0	0	0	110.6
6	P	36.1	Very low	29.1	Very low	129 Å²	129	155.4 Å²	155.4	84%	0.838	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-82.7	129.5	-171.1	32.4	-33.4	0	0	0	112.2
7	S	27.6	Very low	28.8	Very low	110 Å²	110	157.2 Å²	157.2	77%	0.769	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-74.9	132.7	163.4	50.7	0	0	0	0	110.5
8	K	30.5	Very low	28.8	Very low	199 Å²	199	156.6 Å²	156.6	87%	0.865	84%	0.841	S	S	*	*			trans	144.2	107.5	152.7	-82.8	172.4	-178.1	-177.8	0	110.5
9	R	28.3	Very low	28.8	Very low	253 Å²	253	155.5 Å²	155.5	96%	0.955	84%	0.835	S	S	*	*			trans	-112.3	103.5	148.1	-84.5	-173.2	176.3	-176.2	-0.4	107.9	K11	R9-K11 PolarHBondContact O-N 3.22Å
10	Q	27.9	Very low	28.6	Very low	174 Å²	174	155.1 Å²	155.1	81%	0.813	83%	0.833	S	S	*	*			trans	-55.7	128	160.4	-89.7	167.5	-43.5	0	0	108.5	I12	Q10-I12 PolarHBondContact O-N 2.57Å; Q10-I12 VanDerWaalsContact O-N 3.15Å
11	K	27.6	Very low	28.6	Very low	213 Å²	213	155.4 Å²	155.4	93%	0.926	83%	0.834	S	S	*	*			trans	-64.8	107.5	157.4	-86	179.3	169.3	176.9	0	106.8	R9	R9-K11 PolarHBondContact O-N 3.22Å
12	I	27.5	Very low	28.3	Very low	136 Å²	136	150.7 Å²	150.7	70%	0.697	81%	0.814	S	S	*	*			trans	-78.3	119.4	169.1	-67.9	172.1	0	0	0	106.6	Q10 T14	Q10-I12 PolarHBondContact O-N 2.57Å; Q10-I12 VanDerWaalsContact O-N 3.15Å; I12-T14 HydrophobicContact CG2-CG2 4.24Å; I12-T14 PolarHBondContact O-N 3.16Å
13	L	24.3	Very low	28.3	Very low	174 Å²	174	155.1 Å²	155.1	91%	0.911	82%	0.82	S	S	*	*			trans	-58.5	111.1	161.3	-84.1	138.6	0	0	0	108.4
14	T	28.4	Very low	27.7	Very low	118 Å²	118	157.5 Å²	157.5	72%	0.724	82%	0.819	S	S	*	*			trans	-103.9	106.4	162.2	46.9	0	0	0	0	108.6	I12	I12-T14 HydrophobicContact CG2-CG2 4.24Å; I12-T14 PolarHBondContact O-N 3.16Å
15	S	23.7	Very low	27.7	Very low	114 Å²	114	157.6 Å²	157.6	80%	0.797	82%	0.82	S	S	*	*			trans	-59.3	123.9	161.6	49.9	0	0	0	0	110.4
16	T	29	Very low	27.3	Very low	134 Å²	134	160.2 Å²	160.2	82%	0.822	83%	0.828	S	S	*	*			trans	-133.2	110.2	159	32.1	0	0	0	0	108.6
17	E	23.6	Very low	26.9	Very low	187 Å²	187	160.4 Å²	160.4	87%	0.874	83%	0.827	S	S	*	*			trans	-59.2	129.8	161.1	-64	173.7	144.9	0	0	109.1
18	N	29.8	Very low	26.8	Very low	145 Å²	145	163 Å²	163	78%	0.775	83%	0.832	S	S	*	*			trans	-175.6	118	134.6	-100.5	-29.7	0	0	0	113.3
19	N	28.8	Very low	26.5	Very low	137 Å²	137	158.8 Å²	158.8	73%	0.733	83%	0.828	S	S	*	*			trans	52.3	109.1	135.6	-71.6	-22.6	0	0	0	121.8
20	N	24.6	Very low	26.5	Very low	147 Å²	147	154.1 Å²	154.1	79%	0.786	82%	0.822	S	S	*	*				26.3	110.9	124.5	-77	-10.9	0	0	0	117.7
21	N	27.9	Very low	26.3	Very low	161 Å²	161	154.2 Å²	154.2	86%	0.861	83%	0.827	S	S	*	*				-160.7	122.9	121.2	-96.8	-24.5	0	0	0	111.6
22	N	24.3	Very low	26.2	Very low	150 Å²	150	149.2 Å²	149.2	80%	0.802	82%	0.819	S	S	*	*			trans	-62.6	127.9	171.2	-81	-25.2	0	0	0	111.1
23	F	28.2	Very low	26.2	Very low	204 Å²	204	150.9 Å²	150.9	90%	0.895	83%	0.829	S	S	*	*			trans	-135.9	114.4	148.1	-96.5	-82.1	0	0	0	109.9
24	H	23.6	Very low	26.2	Very low	178 Å²	178	146.3 Å²	146.3	82%	0.824	82%	0.824	S	S	*	*			trans	-67	126.7	170.1	-86.9	-72.9	0	0	0	110.6
25	T	28.2	Very low	26	Very low	135 Å²	135	149.6 Å²	149.6	83%	0.828	83%	0.834	S	S	*	*			trans	-143.8	131	150.9	43.3	0	0	0	0	110.5
26	N	24.4	Very low	26.1	Very low	166 Å²	166	153.4 Å²	153.4	89%	0.888	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-50.3	129.2	-168	-70.5	-31.2	0	0	0	115.8
27	T	26.1	Very low	26	Very low	134 Å²	134	151 Å²	151	82%	0.822	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-90.4	121.1	161.5	46.7	0	0	0	0	110.1	S29	T27-S29 PolarHBondContact O-N 2.82Å
28	N	25.1	Very low	26.1	Very low	163 Å²	163	150.4 Å²	150.4	87%	0.872	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-63.1	125.7	163.5	-88.4	-21.5	0	0	0	109.6	N30	N28-N30 PolarHBondContact O-N 2.89Å
29	S	24.9	Very low	26.1	Very low	111 Å²	111	145.9 Å²	145.9	78%	0.776	82%	0.822	S	S	*	*			trans	-71.7	108	175.4	51.9	0	0	0	0	110.6	T27	T27-S29 PolarHBondContact O-N 2.82Å
30	N	27.9	Very low	26.4	Very low	155 Å²	155	148.8 Å²	148.8	83%	0.829	83%	0.832	S	S	*	*			trans	-108.2	126.8	155.2	-88.2	-17.6	0	0	0	108.4	N28 S32	N28-N30 PolarHBondContact O-N 2.89Å; N30-S32 PolarHBondContact O-N 3.41Å
31	L	25.1	Very low	27.6	Very low	176 Å²	176	146.2 Å²	146.2	92%	0.921	82%	0.821	S	S	*	*			trans	-53.6	101.6	-172.8	-71.9	129.3	0	0	0	112.1
32	S	25.2	Very low	28.9	Very low	109 Å²	109	142.1 Å²	142.1	76%	0.762	80%	0.803	S	S	*	*			trans	-88.8	117.5	165	58.7	0	0	0	0	109.4	N30 G34	N30-S32 PolarHBondContact O-N 3.41Å; S32-G34 PolarHBondContact O-N 3.38Å
33	N	27.2	Very low	31.3	Very low	171 Å²	171	142.9 Å²	142.9	91%	0.914	81%	0.808	S	S	*	*			trans	-53.1	127.4	167.7	-90	-32.7	0	0	0	110.4	M35	N33-M35 PolarHBondContact O-N 2.85Å
34	G	24.2	Very low	34	Very low	78 Å²	78	135 Å²	135	80%	0.804	77%	0.774	S	S	*	*			trans	-64	113.3	-177.5	0	0	0	0	0	112.5	S32	S32-G34 PolarHBondContact O-N 3.38Å
35	M	24.8	Very low	37.1	Very low	187 Å²	187	127.8 Å²	127.8	92%	0.921	74%	0.742	S	S	*	*			trans	-149.1	87.3	147	-113.2	173.6	157	0	0	106.9	N33 A37	N33-M35 PolarHBondContact O-N 2.85Å; M35-A37 PolarHBondContact O-N 2.99Å; M35-A37 VanDerWaalsContact O-N 3.09Å
36	E	24.4	Very low	39.9	Very low	194 Å²	194	125.9 Å²	125.9	91%	0.907	72%	0.724	S	S	*	*			trans	-67.3	100.9	164.5	-75.7	-176	159.9	0	0	108.3
37	A	28	Very low	42.9	Very low	83 Å²	83	119.7 Å²	119.7	69%	0.686	69%	0.693	S	S	*	*			trans	-115.4	99.1	158.6	0	0	0	0	0	107.5	M35 G39	M35-A37 PolarHBondContact O-N 2.99Å; M35-A37 VanDerWaalsContact O-N 3.09Å; A37-G39 PolarHBondContact O-N 2.92Å
38	N	26.5	Very low	46.1	Very low	175 Å²	175	114.1 Å²	114.1	94%	0.936	66%	0.658	S	S	*	*			trans	-69.4	70.5	169.6	-85.7	-26.3	0	0	0	110.8
39	G	29.4	Very low	49.3	Very low	49 Å²	49	106.9 Å²	106.9	51%	0.505	62%	0.619	S	S	.	*	S	Bend	trans	-132.1	127.7	162.3	0	0	0	0	0	107.9	A37 V41	A37-G39 PolarHBondContact O-N 2.92Å; G39-V41 PolarHBondContact O-N 2.8Å
40	E	34.3	Very low	52.4	Low	199 Å²	199	101.7 Å²	101.7	93%	0.93	58%	0.583	S	S	*	*			trans	-47.8	108.2	173.8	-73.5	180	157.3	0	0	109.1
41	V	49.1	Very low	55.5	Low	92 Å²	92	95.1 Å²	95.1	56%	0.558	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-65.4	126.7	179.3	177.8	0	0	0	0	106.8	G39 D43 R62	G39-V41 PolarHBondContact O-N 2.8Å; V41-D43 PolarHBondContact O-N 3.35Å; V41-D43 VanDerWaalsContact O-N 3.15Å; V41-R62 VanDerWaalsContact CG1-CD 3.41Å; V41-R62 HydrophobicContact CG1-CG 3.94Å
42	P	56.1	Low	58.9	Low	75 Å²	75	86.8 Å²	86.8	49%	0.487	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-57.9	124	179.7	-16.7	25.7	0	0	0	109.7	L44	P42-L44 PolarHBondContact O-N 2.87Å
43	D	74.7	Confident	62.2	Low	167 Å²	167	81.8 Å²	81.8	89%	0.893	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-57.6	123.3	171.2	-106.3	-19.8	0	0	0	108.7	V41 D45	V41-D43 PolarHBondContact O-N 3.35Å; V41-D43 VanDerWaalsContact O-N 3.15Å; D43-D45 PolarHBondContact O-N 3.04Å
44	L	84.2	Confident	65.3	Low	37 Å²	37	75.6 Å²	75.6	19%	0.194	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-70	126	179.7	-81.9	158.4	0	0	0	109.6	P42 E46 L53 P58 M61 R62	P42-L44 PolarHBondContact O-N 2.87Å; L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 PolarHBondContact O-N 3.45Å; L44-L53 HydrophobicContact CD1-CD2 4.31Å; L44-P58 HydrophobicContact CD1-CB 4.32Å; L44-M61 HydrophobicContact CD1-CB 4.03Å; L44-M61 HydrophobicContact CD2-CB 3.55Å; L44-M61 HydrophobicContact CD2-CE 4.3Å; L44-M61 HydrophobicContact CD2-CG 4.46Å; L44-M61 HydrophobicContact CG-CB 4.47Å; L44-R62 HydrophobicContact CD1-CG 3.86Å; L44-R62 HydrophobicContact CG-CG 4.49Å
45	D	89.5	Confident	68.7	Low	28 Å²	28	72.3 Å²	72.3	15%	0.15	40%	0.396	C	S	.	.			trans	-72.9	83.5	174.3	-172.6	-9.6	0	0	0	110.4	D43 S47 L48 Y49 H135 R509	D43-D45 PolarHBondContact O-N 3.04Å; D45-S47 PolarHBondContact O-N 2.75Å; D45-S47 PolarHBondContact OD1-N 2.82Å; D45-S47 PolarHBondContact OD1-OG 3.08Å; D45-L48 HydrophobicContact CB-CB 4.29Å; D45-L48 PolarHBondContact O-N 3.13Å; D45-L48 VanDerWaalsContact O-N 3.11Å; D45-L48 PolarHBondContact OD1-N 3.33Å; D45-Y49 HydrophobicContact CB-CD2 4.26Å; D45-Y49 HydrophobicContact CB-CE2 4.35Å; D45-Y49 WeakPolarHBondContact O-CD2 3.35Å; D45-Y49 PolarHBondContact O-N 3.3Å; D45-H135 IonicContact OD2-CE1 3.22Å; D45-H135 IonicContact OD2-NE2 3.09Å; D45-H135 PolarHBondContact OD2-NE2 3.21Å; D45-R509 IonicContact OD1-NH2 2.82Å; D45-R509 IonicContact OD2-CZ 3.21Å; D45-R509 IonicContact OD2-NE 3.15Å; D45-R509 IonicContact OD2-NH2 3.43Å; D45-R509 PolarHBondContact OD2-NH2 3.45Å
46	E	86.5	Confident	72.1	Confident	95 Å²	95	63.6 Å²	63.6	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-58.2	-30.5	-178.7	-62.3	-169.2	175.8	0	0	112.8	L44 L48 S50 L53	L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 PolarHBondContact O-N 3.45Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 3.03Å; E46-S50 WeakPolarHBondContact O-CA 3.33Å; E46-S50 VanDerWaalsContact O-CB 3.23Å; E46-S50 WeakPolarHBondContact O-CB 3.41Å; E46-S50 PolarHBondContact O-N 3.15Å; E46-L53 HydrophobicContact CB-CD1 4.08Å; E46-L53 HydrophobicContact CG-CD1 3.91Å
47	S	87.4	Confident	75.3	Confident	35 Å²	35	55.1 Å²	55.1	25%	0.245	32%	0.318	C	S	.	.	H	α-helix	trans	-67.5	-31.4	179.5	76.3	0	0	0	0	112.8	D45 R509 S510	D45-S47 PolarHBondContact O-N 2.75Å; D45-S47 PolarHBondContact OD1-N 2.82Å; D45-S47 PolarHBondContact OD1-OG 3.08Å; S47-R509 VanDerWaalsContact OG-CD 3.25Å; S47-R509 WeakPolarHBondContact OG-CD 3.41Å; S47-R509 PolarHBondContact OG-NE 3.33Å; S47-S510 WeakPolarHBondContact O-CA 3.43Å; S47-S510 PolarHBondContact O-N 3.19Å
48	L	92.9	Very high	78.3	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-86.8	-48.2	175.6	178.2	63.3	0	0	0	111.4	D45 E46 L512 N513	D45-L48 HydrophobicContact CB-CB 4.29Å; D45-L48 PolarHBondContact O-N 3.13Å; D45-L48 VanDerWaalsContact O-N 3.11Å; D45-L48 PolarHBondContact OD1-N 3.33Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 3.03Å; L48-L512 HydrophobicContact CD1-CB 3.83Å; L48-N513 HydrophobicContact CD1-CB 4.38Å; L48-N513 WeakPolarHBondContact O-CB 3.31Å
49	Y	94.2	Very high	81.5	Confident	10 Å²	10	49.4 Å²	49.4	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-90.6	6.4	-172.2	-61.2	-66.8	0	0	0	114.2	D45 R51 Q52 L53 M61 G89 N133	D45-Y49 HydrophobicContact CB-CD2 4.26Å; D45-Y49 HydrophobicContact CB-CE2 4.35Å; D45-Y49 WeakPolarHBondContact O-CD2 3.35Å; D45-Y49 PolarHBondContact O-N 3.3Å; Y49-R51 VanDerWaalsContact C-N 3.32Å; Y49-R51 PolarHBondContact O-N 3.06Å; Y49-R51 VanDerWaalsContact O-N 3.09Å; Y49-Q52 CarbonylContact O-C 3.56Å; Y49-Q52 PolarHBondContact O-N 3.31Å; Y49-L53 PolarHBondContact O-N 3.43Å; Y49-M61 HydrophobicContact CD1-CE 3.6Å; Y49-M61 HydrophobicContact CD2-CE 4.08Å; Y49-M61 HydrophobicContact CE1-CE 4.06Å; Y49-M61 HydrophobicContact CE2-CE 4.49Å; Y49-M61 HydrophobicContact CG-CE 3.61Å; Y49-G89 WeakPolarHBondContact OH-CA 3.04Å; Y49-N133 PolarHBondContact OH-ND2 2.88Å; Y49-N133 PolarHBondContact OH-OD1 3.07Å
50	S	89.9	Confident	84.5	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-39.6	-55.3	-174.4	171.4	0	0	0	0	113.6	E46 Q52 L53 Y54	E46-S50 WeakPolarHBondContact O-CA 3.33Å; E46-S50 VanDerWaalsContact O-CB 3.23Å; E46-S50 WeakPolarHBondContact O-CB 3.41Å; E46-S50 PolarHBondContact O-N 3.15Å; S50-Q52 PolarHBondContact O-N 2.86Å; S50-L53 PolarHBondContact O-N 2.99Å; S50-Y54 WeakPolarHBondContact O-CD2 3.46Å; S50-Y54 WeakPolarHBondContact O-CE2 3.4Å
51	R	92.9	Very high	87.4	Confident	17 Å²	17	38 Å²	38	6%	0.064	21%	0.211	C	C	.	.	H	α-helix	trans	-71.6	-32.3	-175.7	-52.9	-49.4	-168.8	-116.1	-2.7	113.3	Y49 R514 D854 I892 A895	Y49-R51 VanDerWaalsContact C-N 3.32Å; Y49-R51 PolarHBondContact O-N 3.06Å; Y49-R51 VanDerWaalsContact O-N 3.09Å; R51-R514 VanDerWaalsContact CG-NH1 3.29Å; R51-D854 IonicContact CZ-OD1 2.95Å; R51-D854 IonicContact CZ-OD2 2.93Å; R51-D854 IonicContact NH1-OD1 3.02Å; R51-D854 PolarHBondContact NH1-OD1 3.08Å; R51-D854 IonicContact NH1-OD2 3.52Å; R51-D854 IonicContact NH2-OD1 2.63Å; R51-D854 IonicContact NH2-OD2 3.68Å; R51-D854 PolarHBondContact NH2-OD2 2.84Å; R51-I892 VanDerWaalsContact NH1-CD1 3.27Å; R51-A895 CarbonylContact C-O 3.55Å; R51-A895 HydrophobicContact CB-CB 4.32Å; R51-A895 PolarHBondContact O-N 2.77Å
52	Q	95.3	Very high	89.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-79.2	-29.6	178.4	-170.4	176.9	-61.5	0	0	112.1	Y49 S50 Y54 V55 Y56 M61 A88 N513 I896	Y49-Q52 CarbonylContact O-C 3.56Å; Y49-Q52 PolarHBondContact O-N 3.31Å; S50-Q52 PolarHBondContact O-N 2.86Å; Q52-Y54 PolarHBondContact O-N 2.89Å; Q52-V55 WeakPolarHBondContact O-CA 3.48Å; Q52-V55 WeakPolarHBondContact O-CB 3.33Å; Q52-V55 PolarHBondContact O-N 2.9Å; Q52-Y56 HydrophobicContact CG-CD2 4.27Å; Q52-Y56 PolarHBondContact O-N 2.82Å; Q52-M61 HydrophobicContact CG-SD 4.03Å; Q52-M61 PolarHBondContact NE2-SD 3Å; Q52-A88 PolarHBondContact NE2-O 3.26Å; Q52-N513 PolarHBondContact OE1-ND2 3.14Å; Q52-I896 HydrophobicContact CG-CD1 3.87Å; Q52-I896 HydrophobicContact CG-CG1 4.13Å
53	L	94.4	Very high	91.5	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-35.7	173.3	-83.5	163.6	0	0	0	111.2	L44 E46 Y49 S50 V55 G57 M61	L44-L53 HydrophobicContact CD1-CD2 4.31Å; E46-L53 HydrophobicContact CB-CD1 4.08Å; E46-L53 HydrophobicContact CG-CD1 3.91Å; Y49-L53 PolarHBondContact O-N 3.43Å; S50-L53 PolarHBondContact O-N 2.99Å; L53-V55 PolarHBondContact O-N 3.22Å; L53-G57 WeakPolarHBondContact O-CA 3.44Å; L53-G57 PolarHBondContact O-N 2.81Å; L53-M61 HydrophobicContact CD2-CB 4.27Å; L53-M61 HydrophobicContact CD2-CG 3.73Å; L53-M61 HydrophobicContact CG-CG 4.4Å
54	Y	93.7	Very high	92.5	Very high	41 Å²	41	29.6 Å²	29.6	16%	0.161	15%	0.147	C	C	.	.	H	α-helix	trans	-73.7	-12.2	174.7	-55.4	-53.6	0	0	0	114.1	S50 Q52 L883 L887 I892	S50-Y54 WeakPolarHBondContact O-CD2 3.46Å; S50-Y54 WeakPolarHBondContact O-CE2 3.4Å; Q52-Y54 PolarHBondContact O-N 2.89Å; Y54-L883 HydrophobicContact CE1-CD1 3.8Å; Y54-L883 HydrophobicContact CE1-CG 3.9Å; Y54-L883 WeakPolarHBondContact CE1-O 3.46Å; Y54-L883 PolarHBondContact OH-O 3.4Å; Y54-L887 HydrophobicContact CD1-CB 4.05Å; Y54-L887 HydrophobicContact CD1-CD1 3.87Å; Y54-L887 HydrophobicContact CD1-CD2 3.74Å; Y54-L887 HydrophobicContact CD1-CG 4.09Å; Y54-L887 HydrophobicContact CD2-CD1 3.77Å; Y54-L887 HydrophobicContact CE1-CB 3.52Å; Y54-L887 HydrophobicContact CE1-CD1 4.1Å; Y54-L887 HydrophobicContact CE1-CD2 4.06Å; Y54-L887 HydrophobicContact CE1-CG 4.09Å; Y54-L887 HydrophobicContact CE2-CB 4.34Å; Y54-L887 HydrophobicContact CE2-CD1 4Å; Y54-L887 HydrophobicContact CG-CD1 3.7Å; Y54-L887 HydrophobicContact CG-CD2 4.29Å; Y54-L887 HydrophobicContact CG-CG 4.42Å; Y54-L887 PolarHBondContact OH-N 3.32Å; Y54-I892 HydrophobicContact CD2-CG2 3.72Å; Y54-I892 HydrophobicContact CE2-CB 4.16Å; Y54-I892 HydrophobicContact CE2-CD1 3.94Å; Y54-I892 HydrophobicContact CE2-CG2 3.6Å
55	V	95.5	Very high	93.1	Very high	9 Å²	9	29 Å²	29	6%	0.055	15%	0.148	C	C	.	.	H	α-helix	trans	-92.5	-53.4	173.8	-177.6	0	0	0	0	110.1	Q52 L53 K412 F413 T602 P894	Q52-V55 WeakPolarHBondContact O-CA 3.48Å; Q52-V55 WeakPolarHBondContact O-CB 3.33Å; Q52-V55 PolarHBondContact O-N 2.9Å; L53-V55 PolarHBondContact O-N 3.22Å; V55-K412 VanDerWaalsContact O-CE 3.27Å; V55-K412 WeakPolarHBondContact O-CE 3.4Å; V55-K412 PolarHBondContact O-NZ 3.06Å; V55-F413 HydrophobicContact CG1-CE2 4.1Å; V55-F413 HydrophobicContact CG1-CZ 3.77Å; V55-T602 HydrophobicContact CG1-CG2 3.99Å; V55-P894 HydrophobicContact CG2-CB 3.78Å
56	Y	94.8	Very high	93.4	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-91.8	-22.7	-173.4	-89.5	-83.7	0	0	0	114.7	Q52 M64 Q403 M406 S410 K412 F413 I896	Q52-Y56 HydrophobicContact CG-CD2 4.27Å; Q52-Y56 PolarHBondContact O-N 2.82Å; Y56-M64 HydrophobicContact CD1-CE 3.9Å; Y56-M64 HydrophobicContact CD1-SD 4.36Å; Y56-M64 HydrophobicContact CD2-CE 4.04Å; Y56-M64 HydrophobicContact CE1-CE 4.41Å; Y56-M64 HydrophobicContact CE1-SD 4.33Å; Y56-M64 HydrophobicContact CG-CE 3.69Å; Y56-Q403 PolarHBondContact OH-NE2 3.12Å; Y56-M406 HydrophobicContact CE1-CB 4.3Å; Y56-M406 HydrophobicContact CE2-CB 4.41Å; Y56-M406 HydrophobicContact CE2-CE 3.97Å; Y56-M406 HydrophobicContact CE2-SD 4.06Å; Y56-M406 WeakPolarHBondContact OH-CB 3.29Å; Y56-S410 WeakPolarHBondContact CE1-OG 3.24Å; Y56-K412 HydrophobicContact CD1-CB 4.09Å; Y56-K412 HydrophobicContact CD1-CD 4.03Å; Y56-K412 HydrophobicContact CD1-CG 4.35Å; Y56-K412 HydrophobicContact CE1-CB 4.13Å; Y56-K412 WeakPolarHBondContact O-CD 3.29Å; Y56-K412 PolarHBondContact O-NZ 3.41Å; Y56-F413 HydrophobicContact CD1-CE2 4.22Å; Y56-F413 HydrophobicContact CD2-CE2 4.34Å; Y56-F413 AromaticContact CE1-CD2 3.92Å; Y56-F413 HydrophobicContact CE1-CD2 3.92Å; Y56-F413 AromaticContact CE1-CE2 3.71Å; Y56-F413 HydrophobicContact CE1-CE2 3.71Å; Y56-F413 AromaticContact CE2-CE2 3.84Å; Y56-F413 HydrophobicContact CE2-CE2 3.84Å; Y56-F413 AromaticContact CZ-CD2 3.84Å; Y56-F413 AromaticContact CZ-CE2 3.5Å; Y56-F413 VanDerWaalsContact CZ-CE2 3.5Å; Y56-I896 HydrophobicContact CD2-CD1 3.88Å; Y56-I896 HydrophobicContact CE2-CD1 3.45Å; Y56-I896 VanDerWaalsContact CE2-CD1 3.45Å
57	G	92.5	Very high	93.9	Very high	17 Å²	17	27.6 Å²	27.6	18%	0.175	15%	0.147	C	C	.	.	H	α-helix	trans	72.1	162.2	-169.8	0	0	0	0	0	112.4	L53 E59 G60 M61	L53-G57 WeakPolarHBondContact O-CA 3.44Å; L53-G57 PolarHBondContact O-N 2.81Å; G57-E59 VanDerWaalsContact C-N 3.28Å; G57-E59 PolarHBondContact O-N 3.21Å; G57-G60 PolarHBondContact O-N 3.16Å; G57-M61 WeakPolarHBondContact O-CG 3.45Å; G57-M61 PolarHBondContact O-N 3.47Å; G57-M61 VanDerWaalsContact O-N 3.09Å
58	P	91.5	Very high	94.4	Very high	53 Å²	53	27.5 Å²	27.5	34%	0.344	14%	0.143	S	C	.	.	H	α-helix	trans	-57.5	-40.2	-178.5	-25.9	34.7	0	0	0	113.1	L44 M61 R62 L883	L44-P58 HydrophobicContact CD1-CB 4.32Å; P58-M61 PolarHBondContact O-N 2.76Å; P58-R62 WeakPolarHBondContact O-CG 3.31Å; P58-R62 PolarHBondContact O-N 3.14Å; P58-L883 HydrophobicContact CG-CD2 4.42Å
59	E	91.9	Very high	94.7	Very high	85 Å²	85	26.6 Å²	26.6	40%	0.397	14%	0.139	S	C	.	.	H	α-helix	trans	-69.4	-42.7	-177.8	-174.7	55.7	-157.2	0	0	112.8	G57 M61 R62 R63	G57-E59 VanDerWaalsContact C-N 3.28Å; G57-E59 PolarHBondContact O-N 3.21Å; E59-M61 VanDerWaalsContact C-N 3.3Å; E59-M61 PolarHBondContact O-N 3.01Å; E59-R62 PolarHBondContact O-N 3.32Å; E59-R62 IonicContact OE2-CZ 2.82Å; E59-R62 IonicContact OE2-NE 2.86Å; E59-R62 PolarHBondContact OE2-NE 3.41Å; E59-R62 IonicContact OE2-NH2 3.97Å; E59-R62 PolarHBondContact OE2-NH2 3.24Å; E59-R63 WeakPolarHBondContact O-CG 3.49Å; E59-R63 PolarHBondContact O-N 2.97Å; E59-R63 VanDerWaalsContact O-N 3.14Å; E59-R63 IonicContact OE1-CZ 2.7Å; E59-R63 IonicContact OE1-NE 3.05Å; E59-R63 PolarHBondContact OE1-NE 3.34Å; E59-R63 IonicContact OE1-NH2 3.8Å
60	G	94	Very high	94.9	Very high	7 Å²	7	26.1 Å²	26.1	7%	0.072	14%	0.137	C	C	.	.	H	α-helix	trans	-60.7	-41.9	174.4	0	0	0	0	0	111.6	G57 R63 M64	G57-G60 PolarHBondContact O-N 3.16Å; G60-R63 PolarHBondContact O-N 2.81Å; G60-M64 WeakPolarHBondContact O-CG 3.44Å; G60-M64 PolarHBondContact O-N 3.48Å; G60-M64 VanDerWaalsContact O-N 3.13Å
61	M	95.3	Very high	95.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-65.5	-42.6	176.5	-69.1	-65.5	-59.7	0	0	112.8	L44 Y49 Q52 L53 G57 P58 E59 R63 M64 A65	L44-M61 HydrophobicContact CD1-CB 4.03Å; L44-M61 HydrophobicContact CD2-CB 3.55Å; L44-M61 HydrophobicContact CD2-CE 4.3Å; L44-M61 HydrophobicContact CD2-CG 4.46Å; L44-M61 HydrophobicContact CG-CB 4.47Å; Y49-M61 HydrophobicContact CD1-CE 3.6Å; Y49-M61 HydrophobicContact CD2-CE 4.08Å; Y49-M61 HydrophobicContact CE1-CE 4.06Å; Y49-M61 HydrophobicContact CE2-CE 4.49Å; Y49-M61 HydrophobicContact CG-CE 3.61Å; Q52-M61 HydrophobicContact CG-SD 4.03Å; Q52-M61 PolarHBondContact NE2-SD 3Å; L53-M61 HydrophobicContact CD2-CB 4.27Å; L53-M61 HydrophobicContact CD2-CG 3.73Å; L53-M61 HydrophobicContact CG-CG 4.4Å; G57-M61 WeakPolarHBondContact O-CG 3.45Å; G57-M61 PolarHBondContact O-N 3.47Å; G57-M61 VanDerWaalsContact O-N 3.09Å; P58-M61 PolarHBondContact O-N 2.76Å; E59-M61 VanDerWaalsContact C-N 3.3Å; E59-M61 PolarHBondContact O-N 3.01Å; M61-R63 VanDerWaalsContact C-N 3.32Å; M61-R63 PolarHBondContact O-N 2.79Å; M61-M64 HydrophobicContact CE-CE 4.41Å; M61-M64 HydrophobicContact CG-CE 4.26Å; M61-M64 PolarHBondContact O-N 3.31Å; M61-M64 HydrophobicContact SD-CE 3.28Å; M61-M64 WeakPolarHBondContact SD-CE 3.22Å; M61-A65 WeakPolarHBondContact O-CB 3.23Å; M61-A65 PolarHBondContact O-N 3.13Å
62	R	95	Very high	95.6	Very high	94 Å²	94	26 Å²	26	36%	0.355	14%	0.137	S	C	.	.	H	α-helix	trans	-59.1	-42.8	176.4	-80.4	-172.7	-73	-100.9	5	112.4	V41 L44 P58 E59 A65 T66	V41-R62 VanDerWaalsContact CG1-CD 3.41Å; V41-R62 HydrophobicContact CG1-CG 3.94Å; L44-R62 HydrophobicContact CD1-CG 3.86Å; L44-R62 HydrophobicContact CG-CG 4.49Å; P58-R62 WeakPolarHBondContact O-CG 3.31Å; P58-R62 PolarHBondContact O-N 3.14Å; E59-R62 PolarHBondContact O-N 3.32Å; E59-R62 IonicContact OE2-CZ 2.82Å; E59-R62 IonicContact OE2-NE 2.86Å; E59-R62 PolarHBondContact OE2-NE 3.41Å; E59-R62 IonicContact OE2-NH2 3.97Å; E59-R62 PolarHBondContact OE2-NH2 3.24Å; R62-A65 PolarHBondContact O-N 3.47Å; R62-T66 PolarHBondContact O-N 3.18Å
63	R	95.3	Very high	95.7	Very high	63 Å²	63	26.6 Å²	26.6	24%	0.238	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-44.6	176.9	-67.3	172.6	-174.6	-168.3	-4.2	111.4	E59 G60 M61 A65 T66 T67 S410	E59-R63 WeakPolarHBondContact O-CG 3.49Å; E59-R63 PolarHBondContact O-N 2.97Å; E59-R63 VanDerWaalsContact O-N 3.14Å; E59-R63 IonicContact OE1-CZ 2.7Å; E59-R63 IonicContact OE1-NE 3.05Å; E59-R63 PolarHBondContact OE1-NE 3.34Å; E59-R63 IonicContact OE1-NH2 3.8Å; G60-R63 PolarHBondContact O-N 2.81Å; M61-R63 VanDerWaalsContact C-N 3.32Å; M61-R63 PolarHBondContact O-N 2.79Å; R63-A65 PolarHBondContact O-N 3.1Å; R63-T66 PolarHBondContact O-N 3.27Å; R63-T66 PolarHBondContact O-OG1 3.14Å; R63-T67 PolarHBondContact O-OG1 3.36Å; R63-S410 VanDerWaalsContact CD-O 3.27Å; R63-S410 WeakPolarHBondContact CD-O 3.38Å; R63-S410 PolarHBondContact NH1-O 2.78Å
64	M	96.2	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-47	173.2	-70.7	-170.5	-63.7	0	0	112.2	Y56 G60 M61 T66 T67 V90 K91 M406 C409	Y56-M64 HydrophobicContact CD1-CE 3.9Å; Y56-M64 HydrophobicContact CD1-SD 4.36Å; Y56-M64 HydrophobicContact CD2-CE 4.04Å; Y56-M64 HydrophobicContact CE1-CE 4.41Å; Y56-M64 HydrophobicContact CE1-SD 4.33Å; Y56-M64 HydrophobicContact CG-CE 3.69Å; G60-M64 WeakPolarHBondContact O-CG 3.44Å; G60-M64 PolarHBondContact O-N 3.48Å; G60-M64 VanDerWaalsContact O-N 3.13Å; M61-M64 HydrophobicContact CE-CE 4.41Å; M61-M64 HydrophobicContact CG-CE 4.26Å; M61-M64 PolarHBondContact O-N 3.31Å; M61-M64 HydrophobicContact SD-CE 3.28Å; M61-M64 WeakPolarHBondContact SD-CE 3.22Å; M64-T66 PolarHBondContact O-N 3.41Å; M64-T67 WeakPolarHBondContact O-CB 3.33Å; M64-T67 PolarHBondContact O-N 3.09Å; M64-V90 HydrophobicContact CB-CG1 4.36Å; M64-V90 VanDerWaalsContact O-CA 3.27Å; M64-V90 WeakPolarHBondContact O-CA 3.49Å; M64-K91 PolarHBondContact O-N 2.99Å; M64-M406 HydrophobicContact SD-CB 3.92Å; M64-M406 HydrophobicContact SD-CG 4.03Å; M64-M406 HydrophobicContact SD-SD 4.28Å; M64-C409 HydrophobicContact CG-CB 3.77Å
65	A	95.8	Very high	95.8	Very high	25 Å²	25	26.5 Å²	26.5	21%	0.207	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-12.3	-178.6	0	0	0	0	0	114.7	M61 R62 R63 K91	M61-A65 WeakPolarHBondContact O-CB 3.23Å; M61-A65 PolarHBondContact O-N 3.13Å; R62-A65 PolarHBondContact O-N 3.47Å; R63-A65 PolarHBondContact O-N 3.1Å; A65-K91 WeakPolarHBondContact O-CA 3.22Å; A65-K91 VanDerWaalsContact O-CB 3.26Å; A65-K91 WeakPolarHBondContact O-CB 3.27Å
66	T	95.7	Very high	95.9	Very high	83 Å²	83	26 Å²	26	51%	0.509	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-0.2	174.9	59.8	0	0	0	0	113.7	R62 R63 M64 K91	R62-T66 PolarHBondContact O-N 3.18Å; R63-T66 PolarHBondContact O-N 3.27Å; R63-T66 PolarHBondContact O-OG1 3.14Å; M64-T66 PolarHBondContact O-N 3.41Å; T66-K91 WeakPolarHBondContact O-CD 3.48Å
67	T	97.5	Very high	96	Very high	10 Å²	10	26 Å²	26	6%	0.061	14%	0.142	C	C	.	.			trans	-95.8	124	-171.7	-55.6	0	0	0	0	112.8	R63 M64 I69 K91 V156 C409	R63-T67 PolarHBondContact O-OG1 3.36Å; M64-T67 WeakPolarHBondContact O-CB 3.33Å; M64-T67 PolarHBondContact O-N 3.09Å; T67-I69 HydrophobicContact CG2-CG1 4.08Å; T67-K91 VanDerWaalsContact O-CB 3.29Å; T67-K91 WeakPolarHBondContact O-CB 3.44Å; T67-K91 PolarHBondContact O-N 3.16Å; T67-K91 VanDerWaalsContact O-N 3.09Å; T67-V156 HydrophobicContact CG2-CG2 4.26Å; T67-C409 HydrophobicContact CG2-CB 4.2Å
68	D	98.4	Very high	96.3	Very high	33 Å²	33	25.1 Å²	25.1	18%	0.176	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.3	172.2	-67.4	-66.8	0	0	0	111	K91 S92 F154 S155	D68-K91 IonicContact OD1-NZ 3.53Å; D68-K91 WeakPolarHBondContact OD2-CD 3.16Å; D68-K91 WeakPolarHBondContact OD2-CE 3.08Å; D68-K91 IonicContact OD2-NZ 3.99Å; D68-K91 PolarHBondContact OD2-NZ 3.03Å; D68-S92 WeakPolarHBondContact OD1-CB 3.47Å; D68-S92 PolarHBondContact OD1-OG 3.32Å; D68-F154 HydrophobicContact CB-CD1 4.21Å; D68-S155 PolarHBondContact O-N 3.38Å
69	I	98.8	Very high	96.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.6	-172	-57.9	178.1	0	0	0	111	T67 V71 I85 V90 S92 V93 T94 V156 V158 V405	T67-I69 HydrophobicContact CG2-CG1 4.08Å; I69-V71 HydrophobicContact CG2-CG2 4.3Å; I69-I85 HydrophobicContact CD1-CG2 3.59Å; I69-I85 HydrophobicContact CG2-CD1 4.49Å; I69-V90 HydrophobicContact CD1-CB 4.07Å; I69-V90 HydrophobicContact CD1-CG1 3.71Å; I69-V90 HydrophobicContact CD1-CG2 4.09Å; I69-S92 PolarHBondContact N-O 3.23Å; I69-V93 CarbonylContact O-C 3.39Å; I69-V93 WeakPolarHBondContact O-CA 3.47Å; I69-T94 PolarHBondContact O-N 2.68Å; I69-V156 WeakPolarHBondContact CA-O 3.48Å; I69-V156 HydrophobicContact CG1-CB 4.25Å; I69-V156 HydrophobicContact CG2-CB 4.47Å; I69-V158 HydrophobicContact CG2-CG2 4.49Å; I69-V405 HydrophobicContact CD1-CG1 3.63Å; I69-V405 HydrophobicContact CG2-CG1 4.45Å
70	L	98.7	Very high	97	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.7	170.1	178.1	64.6	0	0	0	110	I72 T94 C96 L146 F151 F154 V156 V157 V158	L70-I72 HydrophobicContact CD1-CG1 4.44Å; L70-I72 HydrophobicContact CD2-CD1 3.91Å; L70-I72 HydrophobicContact CD2-CG1 3.94Å; L70-I72 HydrophobicContact CG-CD1 4.35Å; L70-I72 HydrophobicContact CG-CG1 3.86Å; L70-T94 WeakPolarHBondContact CA-O 3.36Å; L70-T94 HydrophobicContact CD1-CG2 3.96Å; L70-T94 WeakPolarHBondContact CD1-O 3.44Å; L70-C96 HydrophobicContact CD1-CB 4Å; L70-L146 HydrophobicContact CD2-CD1 4.05Å; L70-F151 HydrophobicContact CD2-CD1 4.47Å; L70-F151 HydrophobicContact CD2-CE1 4.26Å; L70-F154 HydrophobicContact CB-CB 4.45Å; L70-F154 HydrophobicContact CB-CD1 3.93Å; L70-F154 HydrophobicContact CB-CD2 3.7Å; L70-F154 HydrophobicContact CB-CE1 4Å; L70-F154 HydrophobicContact CB-CE2 3.75Å; L70-F154 HydrophobicContact CB-CG 3.77Å; L70-F154 HydrophobicContact CB-CZ 3.89Å; L70-F154 HydrophobicContact CD1-CE2 4.03Å; L70-F154 HydrophobicContact CD1-CZ 3.94Å; L70-F154 HydrophobicContact CD2-CD2 4.02Å; L70-F154 HydrophobicContact CD2-CE2 3.83Å; L70-F154 HydrophobicContact CG-CD2 4.37Å; L70-F154 HydrophobicContact CG-CE2 4.08Å; L70-F154 HydrophobicContact CG-CZ 4.33Å; L70-V156 PolarHBondContact N-O 3.49Å; L70-V157 HydrophobicContact CB-CG2 4.15Å; L70-V157 HydrophobicContact CD2-CG1 4.27Å; L70-V157 HydrophobicContact CD2-CG2 4.22Å; L70-V158 PolarHBondContact O-N 2.68Å
71	V	98.7	Very high	97.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.1	171.8	-176.6	0	0	0	0	108.8	I69 L74 I85 V93 T94 C96 V158	I69-V71 HydrophobicContact CG2-CG2 4.3Å; V71-L74 HydrophobicContact CG1-CD1 4.3Å; V71-L74 HydrophobicContact CG1-CD2 4.4Å; V71-I85 HydrophobicContact CG2-CD1 4.41Å; V71-V93 HydrophobicContact CG2-CG1 4Å; V71-T94 PolarHBondContact N-O 3.46Å; V71-C96 PolarHBondContact O-N 2.94Å; V71-V158 HydrophobicContact CG1-CB 4.49Å; V71-V158 HydrophobicContact CG2-CB 4.35Å; V71-V158 HydrophobicContact CG2-CG2 4.38Å
72	I	98.3	Very high	97.3	Very high	16 Å²	16	18.2 Å²	18.2	8%	0.082	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.4	-178.4	-51.8	170.6	0	0	0	108.7	L70 C96 L146 F151 V157 V158 L159 S160 Y170	L70-I72 HydrophobicContact CD1-CG1 4.44Å; L70-I72 HydrophobicContact CD2-CD1 3.91Å; L70-I72 HydrophobicContact CD2-CG1 3.94Å; L70-I72 HydrophobicContact CG-CD1 4.35Å; L70-I72 HydrophobicContact CG-CG1 3.86Å; I72-C96 WeakPolarHBondContact CA-O 3.25Å; I72-C96 HydrophobicContact CG1-CB 4.29Å; I72-L146 HydrophobicContact CD1-CD1 3.76Å; I72-L146 HydrophobicContact CG1-CD1 4.18Å; I72-F151 HydrophobicContact CD1-CZ 4.1Å; I72-V157 HydrophobicContact CD1-CG1 3.87Å; I72-V158 PolarHBondContact N-O 2.96Å; I72-L159 HydrophobicContact CB-CD1 3.93Å; I72-L159 HydrophobicContact CD1-CD1 4.44Å; I72-L159 HydrophobicContact CG2-CD1 3.79Å; I72-S160 WeakPolarHBondContact O-CB 3.47Å; I72-S160 PolarHBondContact O-N 2.72Å; I72-Y170 HydrophobicContact CD1-CD2 3.88Å; I72-Y170 HydrophobicContact CD1-CE2 3.82Å
73	G	96.8	Very high	97.5	Very high	14 Å²	14	13.8 Å²	13.8	14%	0.144	8%	0.078	C	C	.	.			trans	83.1	113.1	-175.8	0	0	0	0	0	111.9	G78 C96 S160	G73-G78 WeakPolarHBondContact O-CA 3.49Å; G73-C96 PolarHBondContact N-O 2.93Å; G73-S160 WeakPolarHBondContact O-CB 3.27Å
74	L	97.1	Very high	97.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.067	C	C	.	.			trans	-122.6	39.4	-174.2	-79.3	-56.8	0	0	0	111.1	V71 A82 L95 D97 H109 R121	V71-L74 HydrophobicContact CG1-CD1 4.3Å; V71-L74 HydrophobicContact CG1-CD2 4.4Å; L74-A82 HydrophobicContact CD1-CB 4.33Å; L74-L95 HydrophobicContact CD1-CD2 4.2Å; L74-L95 HydrophobicContact CD2-CB 4.08Å; L74-L95 HydrophobicContact CG-CB 4.41Å; L74-D97 HydrophobicContact CB-CB 3.92Å; L74-D97 HydrophobicContact CD2-CB 3.93Å; L74-D97 HydrophobicContact CG-CB 4.41Å; L74-D97 PolarHBondContact N-OD2 2.96Å; L74-H109 PolarHBondContact O-CD2 3.25Å; L74-H109 VanDerWaalsContact O-CD2 3.25Å; L74-R121 HydrophobicContact CB-CB 4.21Å
75	E	94.6	Very high	97.8	Very high	43 Å²	43	10.9 Å²	10.9	20%	0.201	7%	0.067	C	C	.	.	S	Bend	trans	-60.4	-176.5	152.3	-63.9	-179.6	-169.9	0	0	109.7	L77 G78 L79 R121	E75-L77 PolarHBondContact O-N 2.97Å; E75-L77 VanDerWaalsContact O-N 3.09Å; E75-G78 PolarHBondContact O-N 2.83Å; E75-L79 VanDerWaalsContact O-CB 3.32Å; E75-L79 WeakPolarHBondContact O-CB 3.27Å; E75-L79 PolarHBondContact O-N 2.77Å; E75-R121 IonicContact OE1-CZ 3.54Å; E75-R121 IonicContact OE1-NH1 3.66Å; E75-R121 PolarHBondContact OE1-NH1 3.46Å; E75-R121 IonicContact OE1-NH2 3.77Å
76	G	96.3	Very high	97.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-51.7	-39.5	178.8	0	0	0	0	0	113.3	L79 E80 S108 L394	G76-L79 WeakPolarHBondContact O-CB 3.44Å; G76-L79 PolarHBondContact O-N 3.11Å; G76-E80 WeakPolarHBondContact O-CB 3.38Å; G76-E80 PolarHBondContact O-N 3.31Å; G76-S108 WeakPolarHBondContact CA-OG 3.46Å; G76-L394 VanDerWaalsContact C-CD2 3.42Å; G76-L394 WeakPolarHBondContact O-CD2 3.42Å
77	L	98.3	Very high	98	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-66.5	-52.1	-173.3	-179.4	62.3	0	0	0	112.1	E75 L79 E80 V81 S160 Q161 T184 T186 L394 V397	E75-L77 PolarHBondContact O-N 2.97Å; E75-L77 VanDerWaalsContact O-N 3.09Å; L77-L79 VanDerWaalsContact C-N 3.28Å; L77-L79 PolarHBondContact O-N 3.14Å; L77-E80 PolarHBondContact O-N 3.21Å; L77-V81 WeakPolarHBondContact O-CG2 3.42Å; L77-V81 PolarHBondContact O-N 3.29Å; L77-S160 WeakPolarHBondContact CG-OG 3.46Å; L77-Q161 HydrophobicContact CD2-CG 4.34Å; L77-T184 HydrophobicContact CD2-CG2 3.85Å; L77-T184 HydrophobicContact CG-CG2 3.97Å; L77-T186 HydrophobicContact CD1-CG2 4.07Å; L77-T186 HydrophobicContact CD2-CG2 3.96Å; L77-L394 HydrophobicContact CB-CD1 3.97Å; L77-L394 HydrophobicContact CB-CG 3.84Å; L77-L394 HydrophobicContact CD1-CG 4.02Å; L77-L394 VanDerWaalsContact N-CD1 3.32Å; L77-V397 HydrophobicContact CD1-CB 4.21Å; L77-V397 HydrophobicContact CD1-CG1 4.08Å
78	G	98.3	Very high	98	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66.8	-32.1	176.2	0	0	0	0	0	112.5	G73 E75 V81 A82 S160	G73-G78 WeakPolarHBondContact O-CA 3.49Å; E75-G78 PolarHBondContact O-N 2.83Å; G78-V81 PolarHBondContact O-N 2.84Å; G78-A82 WeakPolarHBondContact O-CB 3.04Å; G78-A82 PolarHBondContact O-N 3.38Å; G78-S160 PolarHBondContact N-OG 2.98Å
79	L	98.3	Very high	97.9	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.6	-43.9	172.2	175.3	61.8	0	0	0	111.6	E75 G76 L77 A82 K83 Y110 F111 C125 L129	E75-L79 VanDerWaalsContact O-CB 3.32Å; E75-L79 WeakPolarHBondContact O-CB 3.27Å; E75-L79 PolarHBondContact O-N 2.77Å; G76-L79 WeakPolarHBondContact O-CB 3.44Å; G76-L79 PolarHBondContact O-N 3.11Å; L77-L79 VanDerWaalsContact C-N 3.28Å; L77-L79 PolarHBondContact O-N 3.14Å; L79-A82 PolarHBondContact O-N 3.07Å; L79-K83 WeakPolarHBondContact O-CB 3.21Å; L79-K83 PolarHBondContact O-N 3.27Å; L79-Y110 HydrophobicContact CD1-CE2 4.46Å; L79-Y110 HydrophobicContact CD2-CD1 4.16Å; L79-Y110 HydrophobicContact CD2-CD2 4.02Å; L79-Y110 HydrophobicContact CD2-CE1 3.99Å; L79-Y110 HydrophobicContact CD2-CE2 3.82Å; L79-Y110 HydrophobicContact CD2-CG 4.21Å; L79-Y110 HydrophobicContact CG-CE1 4.19Å; L79-Y110 HydrophobicContact CG-CE2 3.94Å; L79-F111 HydrophobicContact CD1-CD2 3.65Å; L79-F111 HydrophobicContact CD1-CE2 4.09Å; L79-F111 HydrophobicContact CD2-CB 4.31Å; L79-F111 HydrophobicContact CD2-CD2 4.35Å; L79-C125 HydrophobicContact CD1-CB 3.92Å; L79-L129 HydrophobicContact CD1-CD1 4.01Å; L79-L129 HydrophobicContact CD1-CD2 3.93Å; L79-L129 HydrophobicContact CD1-CG 4.16Å
80	E	98.7	Very high	97.8	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.005	3%	0.025	C	C	.	.	H	α-helix	trans	-64.1	-40	176.9	-168.9	64	-153.6	0	0	112.3	G76 L77 K83 N84 Y110 L394 K484 S901	G76-E80 WeakPolarHBondContact O-CB 3.38Å; G76-E80 PolarHBondContact O-N 3.31Å; L77-E80 PolarHBondContact O-N 3.21Å; E80-K83 WeakPolarHBondContact OE1-CE 3.18Å; E80-K83 IonicContact OE1-NZ 3.96Å; E80-N84 PolarHBondContact O-N 2.86Å; E80-N84 PolarHBondContact O-ND2 3.32Å; E80-N84 PolarHBondContact OE1-ND2 3.31Å; E80-Y110 WeakPolarHBondContact CA-OH 3.46Å; E80-Y110 WeakPolarHBondContact OE2-CE1 3.44Å; E80-Y110 VanDerWaalsContact OE2-CZ 3.32Å; E80-Y110 PolarHBondContact OE2-OH 3.42Å; E80-L394 HydrophobicContact CB-CD2 3.81Å; E80-L394 HydrophobicContact CG-CD2 4.33Å; E80-K484 IonicContact OE1-NZ 2.96Å; E80-K484 PolarHBondContact OE1-NZ 3.08Å; E80-K484 IonicContact OE2-NZ 3.71Å; E80-K484 PolarHBondContact OE2-NZ 2.83Å; E80-S901 WeakPolarHBondContact OE1-CB 3.39Å; E80-S901 PolarHBondContact OE1-OG 3.1Å
81	V	98.8	Very high	97.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.3	-49.2	173.3	176.2	0	0	0	0	110.6	L77 G78 K83 N84 I85 V158 T184 G398 A401 A402	L77-V81 WeakPolarHBondContact O-CG2 3.42Å; L77-V81 PolarHBondContact O-N 3.29Å; G78-V81 PolarHBondContact O-N 2.84Å; V81-K83 PolarHBondContact O-N 2.91Å; V81-N84 PolarHBondContact O-N 3.49Å; V81-I85 HydrophobicContact CG1-CD1 3.41Å; V81-I85 VanDerWaalsContact CG1-CD1 3.41Å; V81-I85 HydrophobicContact CG1-CG1 4.3Å; V81-I85 VanDerWaalsContact O-CG1 3.3Å; V81-I85 WeakPolarHBondContact O-CG1 3.32Å; V81-I85 PolarHBondContact O-N 3.09Å; V81-V158 HydrophobicContact CG1-CG1 4.05Å; V81-V158 HydrophobicContact CG1-CG2 4.37Å; V81-T184 HydrophobicContact CG2-CG2 4.25Å; V81-G398 WeakPolarHBondContact CG2-O 3.25Å; V81-A401 HydrophobicContact CG2-CB 4.08Å; V81-A402 HydrophobicContact CG1-CB 4.31Å
82	A	98.8	Very high	97.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.1	-44.3	179.8	0	0	0	0	0	112.2	L74 G78 L79 N84 I85 I86 L95 L129	L74-A82 HydrophobicContact CD1-CB 4.33Å; G78-A82 WeakPolarHBondContact O-CB 3.04Å; G78-A82 PolarHBondContact O-N 3.38Å; L79-A82 PolarHBondContact O-N 3.07Å; A82-N84 VanDerWaalsContact C-N 3.35Å; A82-N84 PolarHBondContact O-N 3.24Å; A82-I85 PolarHBondContact O-N 3.46Å; A82-I86 WeakPolarHBondContact O-CB 3.4Å; A82-I86 WeakPolarHBondContact O-CD1 3.39Å; A82-I86 WeakPolarHBondContact O-CG1 3.43Å; A82-I86 PolarHBondContact O-N 3.05Å; A82-L95 HydrophobicContact CB-CD2 4.16Å; A82-L129 HydrophobicContact CB-CD1 4.21Å; A82-L129 HydrophobicContact CB-CD2 4.3Å
83	K	98.7	Very high	97.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-52.2	-53.8	175.3	178.4	-157.5	68.3	92.5	0	110.7	L79 E80 V81 I86 L87 Y110 L129 L132 E481 F516	L79-K83 WeakPolarHBondContact O-CB 3.21Å; L79-K83 PolarHBondContact O-N 3.27Å; E80-K83 WeakPolarHBondContact OE1-CE 3.18Å; E80-K83 IonicContact OE1-NZ 3.96Å; V81-K83 PolarHBondContact O-N 2.91Å; K83-I86 PolarHBondContact O-N 2.88Å; K83-L87 HydrophobicContact CD-CD1 4.43Å; K83-L87 HydrophobicContact CG-CD1 3.93Å; K83-L87 WeakPolarHBondContact O-CB 3.4Å; K83-L87 VanDerWaalsContact O-CG 3.27Å; K83-L87 WeakPolarHBondContact O-CG 3.5Å; K83-L87 PolarHBondContact O-N 2.8Å; K83-Y110 HydrophobicContact CD-CE2 4.5Å; K83-Y110 WeakPolarHBondContact CD-OH 3.3Å; K83-L129 HydrophobicContact CB-CD2 4.45Å; K83-L132 HydrophobicContact CB-CD1 4.28Å; K83-L132 HydrophobicContact CG-CD1 3.81Å; K83-E481 IonicContact NZ-OE1 3.99Å; K83-E481 PolarHBondContact NZ-OE1 2.87Å; K83-F516 HydrophobicContact CD-CB 4.22Å; K83-F516 HydrophobicContact CD-CD1 3.98Å; K83-F516 HydrophobicContact CD-CD2 3.88Å; K83-F516 HydrophobicContact CD-CE1 4.35Å; K83-F516 HydrophobicContact CD-CE2 4.25Å; K83-F516 HydrophobicContact CD-CG 3.75Å; K83-F516 HydrophobicContact CD-CZ 4.48Å; K83-F516 HydrophobicContact CG-CB 4.43Å; K83-F516 HydrophobicContact CG-CD2 4.35Å; K83-F516 HydrophobicContact CG-CG 4.35Å
84	N	98.7	Very high	97.9	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.011	4%	0.04	C	C	.	.	H	α-helix	trans	-66.6	-41.3	-175.4	-74.1	-52.4	0	0	0	112.3	E80 V81 A82 L87 A88 S399 A402 A897 T898	E80-N84 PolarHBondContact O-N 2.86Å; E80-N84 PolarHBondContact O-ND2 3.32Å; E80-N84 PolarHBondContact OE1-ND2 3.31Å; V81-N84 PolarHBondContact O-N 3.49Å; A82-N84 VanDerWaalsContact C-N 3.35Å; A82-N84 PolarHBondContact O-N 3.24Å; N84-L87 PolarHBondContact O-N 2.98Å; N84-A88 WeakPolarHBondContact O-CB 3.38Å; N84-A88 PolarHBondContact O-N 3.1Å; N84-S399 PolarHBondContact ND2-OG 2.93Å; N84-A402 HydrophobicContact CB-CB 3.54Å; N84-A897 WeakPolarHBondContact OD1-CB 3.17Å; N84-A897 PolarHBondContact OD1-O 3.24Å; N84-T898 HydrophobicContact CB-CG2 3.89Å
85	I	98.5	Very high	97.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-64.3	-41.3	177.1	-68.1	165.3	0	0	0	111.6	I69 V71 V81 A82 A88 G89 V90 V93 V158 A402 V405	I69-I85 HydrophobicContact CD1-CG2 3.59Å; I69-I85 HydrophobicContact CG2-CD1 4.49Å; V71-I85 HydrophobicContact CG2-CD1 4.41Å; V81-I85 HydrophobicContact CG1-CD1 3.41Å; V81-I85 VanDerWaalsContact CG1-CD1 3.41Å; V81-I85 HydrophobicContact CG1-CG1 4.3Å; V81-I85 VanDerWaalsContact O-CG1 3.3Å; V81-I85 WeakPolarHBondContact O-CG1 3.32Å; V81-I85 PolarHBondContact O-N 3.09Å; A82-I85 PolarHBondContact O-N 3.46Å; I85-A88 WeakPolarHBondContact O-CB 3.39Å; I85-A88 PolarHBondContact O-N 3.43Å; I85-G89 PolarHBondContact O-N 3.44Å; I85-V90 HydrophobicContact CG2-CB 4.45Å; I85-V90 HydrophobicContact CG2-CG1 3.9Å; I85-V90 HydrophobicContact CG2-CG2 3.71Å; I85-V93 HydrophobicContact CG2-CG2 3.77Å; I85-V158 HydrophobicContact CD1-CG2 4.41Å; I85-A402 HydrophobicContact CG1-CB 4.26Å; I85-V405 HydrophobicContact CD1-CB 3.99Å; I85-V405 HydrophobicContact CD1-CG1 3.68Å; I85-V405 HydrophobicContact CD1-CG2 4.05Å; I85-V405 HydrophobicContact CG1-CB 4.24Å; I85-V405 HydrophobicContact CG1-CG1 3.96Å
86	I	98.6	Very high	98.1	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-67.5	-44.5	179.5	-69.7	168.3	0	0	0	110.5	A82 K83 A88 G89 V93 L129 L132 N133 V136 V138	A82-I86 WeakPolarHBondContact O-CB 3.4Å; A82-I86 WeakPolarHBondContact O-CD1 3.39Å; A82-I86 WeakPolarHBondContact O-CG1 3.43Å; A82-I86 PolarHBondContact O-N 3.05Å; K83-I86 PolarHBondContact O-N 2.88Å; I86-A88 PolarHBondContact O-N 3.13Å; I86-G89 PolarHBondContact O-N 3.33Å; I86-G89 VanDerWaalsContact O-N 3.15Å; I86-V93 HydrophobicContact CD1-CB 4.36Å; I86-V93 HydrophobicContact CD1-CG1 4.47Å; I86-V93 HydrophobicContact CD1-CG2 4.48Å; I86-V93 HydrophobicContact CG1-CB 4.06Å; I86-V93 HydrophobicContact CG1-CG1 4.46Å; I86-V93 HydrophobicContact CG1-CG2 3.68Å; I86-L129 HydrophobicContact CD1-CB 3.7Å; I86-L129 HydrophobicContact CD1-CD1 4.43Å; I86-L129 HydrophobicContact CD1-CD2 3.87Å; I86-L129 HydrophobicContact CD1-CG 4.2Å; I86-L132 HydrophobicContact CG2-CB 3.98Å; I86-N133 HydrophobicContact CG2-CB 3.82Å; I86-N133 WeakPolarHBondContact O-CB 3.4Å; I86-N133 PolarHBondContact O-ND2 3.46Å; I86-V136 HydrophobicContact CG1-CG1 4.22Å; I86-V136 HydrophobicContact CG2-CB 4.17Å; I86-V136 HydrophobicContact CG2-CG1 4.4Å; I86-V136 HydrophobicContact CG2-CG2 4.34Å; I86-V136 VanDerWaalsContact O-CG2 3.31Å; I86-V136 WeakPolarHBondContact O-CG2 3.44Å; I86-V138 HydrophobicContact CD1-CG2 3.69Å; I86-V138 HydrophobicContact CG1-CG2 4.28Å
87	L	98.2	Very high	98.1	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.01	3%	0.034	C	C	.	.	H	α-helix	trans	-59.1	-34.1	174.8	-74.2	171.4	0	0	0	112.2	K83 N84 G89 L132 L512 N513 F516 A897	K83-L87 HydrophobicContact CD-CD1 4.43Å; K83-L87 HydrophobicContact CG-CD1 3.93Å; K83-L87 WeakPolarHBondContact O-CB 3.4Å; K83-L87 VanDerWaalsContact O-CG 3.27Å; K83-L87 WeakPolarHBondContact O-CG 3.5Å; K83-L87 PolarHBondContact O-N 2.8Å; N84-L87 PolarHBondContact O-N 2.98Å; L87-G89 VanDerWaalsContact C-N 3.26Å; L87-G89 PolarHBondContact O-N 2.64Å; L87-L132 HydrophobicContact CD2-CB 4.07Å; L87-L132 HydrophobicContact CG-CD1 4.47Å; L87-L512 WeakPolarHBondContact CD2-O 3.21Å; L87-N513 WeakPolarHBondContact CB-O 3.43Å; L87-N513 PolarHBondContact O-ND2 3.36Å; L87-F516 HydrophobicContact CD1-CB 3.82Å; L87-F516 HydrophobicContact CD2-CB 4.47Å; L87-A897 HydrophobicContact CB-CB 4.35Å; L87-A897 HydrophobicContact CD1-CB 3.87Å
88	A	96.8	Very high	97.9	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.008	5%	0.047	C	C	.	.	H	α-helix	trans	-68.1	-18.9	178.7	0	0	0	0	0	114.8	Q52 N84 I85 I86 M406	Q52-A88 PolarHBondContact NE2-O 3.26Å; N84-A88 WeakPolarHBondContact O-CB 3.38Å; N84-A88 PolarHBondContact O-N 3.1Å; I85-A88 WeakPolarHBondContact O-CB 3.39Å; I85-A88 PolarHBondContact O-N 3.43Å; I86-A88 PolarHBondContact O-N 3.13Å; A88-M406 HydrophobicContact CB-CG 4.14Å; A88-M406 HydrophobicContact CB-SD 3.25Å; A88-M406 WeakPolarHBondContact CB-SD 3.45Å
89	G	96.4	Very high	97.8	Very high	3 Å²	3	11.8 Å²	11.8	3%	0.031	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	56.5	174.6	0	0	0	0	0	114.7	Y49 I85 I86 L87	Y49-G89 WeakPolarHBondContact OH-CA 3.04Å; I85-G89 PolarHBondContact O-N 3.44Å; I86-G89 PolarHBondContact O-N 3.33Å; I86-G89 VanDerWaalsContact O-N 3.15Å; L87-G89 VanDerWaalsContact C-N 3.26Å; L87-G89 PolarHBondContact O-N 2.64Å
90	V	97.4	Very high	97.7	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.018	9%	0.086	C	C	.	.			trans	-85.6	169.3	170.4	-58.2	0	0	0	0	112.1	M64 I69 I85 V93 V136	M64-V90 HydrophobicContact CB-CG1 4.36Å; M64-V90 VanDerWaalsContact O-CA 3.27Å; M64-V90 WeakPolarHBondContact O-CA 3.49Å; I69-V90 HydrophobicContact CD1-CB 4.07Å; I69-V90 HydrophobicContact CD1-CG1 3.71Å; I69-V90 HydrophobicContact CD1-CG2 4.09Å; I85-V90 HydrophobicContact CG2-CB 4.45Å; I85-V90 HydrophobicContact CG2-CG1 3.9Å; I85-V90 HydrophobicContact CG2-CG2 3.71Å; V90-V93 HydrophobicContact CG2-CG2 3.53Å; V90-V136 HydrophobicContact CG2-CG1 3.91Å; V90-V136 VanDerWaalsContact O-CG2 3.3Å; V90-V136 WeakPolarHBondContact O-CG2 3.32Å
91	K	97.4	Very high	97.5	Very high	101 Å²	101	15.5 Å²	15.5	44%	0.439	9%	0.086	S	C	.	.	S	Bend	trans	-62.7	-53.6	179.4	-175.3	179.4	163.2	-160.9	0	112.3	M64 A65 T66 T67 D68 S137	M64-K91 PolarHBondContact O-N 2.99Å; A65-K91 WeakPolarHBondContact O-CA 3.22Å; A65-K91 VanDerWaalsContact O-CB 3.26Å; A65-K91 WeakPolarHBondContact O-CB 3.27Å; T66-K91 WeakPolarHBondContact O-CD 3.48Å; T67-K91 VanDerWaalsContact O-CB 3.29Å; T67-K91 WeakPolarHBondContact O-CB 3.44Å; T67-K91 PolarHBondContact O-N 3.16Å; T67-K91 VanDerWaalsContact O-N 3.09Å; D68-K91 IonicContact OD1-NZ 3.53Å; D68-K91 WeakPolarHBondContact OD2-CD 3.16Å; D68-K91 WeakPolarHBondContact OD2-CE 3.08Å; D68-K91 IonicContact OD2-NZ 3.99Å; D68-K91 PolarHBondContact OD2-NZ 3.03Å; K91-S137 PolarHBondContact O-N 3.28Å
92	S	98.4	Very high	97.3	Very high	9 Å²	9	18.1 Å²	18.1	6%	0.063	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	150.1	178.8	84.2	0	0	0	0	112.3	D68 I69 S137	D68-S92 WeakPolarHBondContact OD1-CB 3.47Å; D68-S92 PolarHBondContact OD1-OG 3.32Å; I69-S92 PolarHBondContact N-O 3.23Å; S92-S137 CarbonylContact C-O 3.58Å; S92-S137 WeakPolarHBondContact CA-O 3.32Å; S92-S137 VanDerWaalsContact CB-O 3.27Å; S92-S137 WeakPolarHBondContact CB-O 3.4Å
93	V	98.8	Very high	97.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.9	171.9	179.9	0	0	0	0	108.2	I69 V71 I85 I86 V90 L95 V136 S137 V138 R139	I69-V93 CarbonylContact O-C 3.39Å; I69-V93 WeakPolarHBondContact O-CA 3.47Å; V71-V93 HydrophobicContact CG2-CG1 4Å; I85-V93 HydrophobicContact CG2-CG2 3.77Å; I86-V93 HydrophobicContact CD1-CB 4.36Å; I86-V93 HydrophobicContact CD1-CG1 4.47Å; I86-V93 HydrophobicContact CD1-CG2 4.48Å; I86-V93 HydrophobicContact CG1-CB 4.06Å; I86-V93 HydrophobicContact CG1-CG1 4.46Å; I86-V93 HydrophobicContact CG1-CG2 3.68Å; V90-V93 HydrophobicContact CG2-CG2 3.53Å; V93-L95 HydrophobicContact CG1-CD2 3.79Å; V93-V136 HydrophobicContact CG2-CG1 4.02Å; V93-S137 PolarHBondContact N-O 3.3Å; V93-V138 VanDerWaalsContact O-CA 3.3Å; V93-V138 WeakPolarHBondContact O-CA 3.38Å; V93-R139 PolarHBondContact O-N 2.95Å
94	T	98.7	Very high	96.7	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.043	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.1	170.8	-59.2	0	0	0	0	109.3	I69 L70 V71 R139 L141 F154	I69-T94 PolarHBondContact O-N 2.68Å; L70-T94 WeakPolarHBondContact CA-O 3.36Å; L70-T94 HydrophobicContact CD1-CG2 3.96Å; L70-T94 WeakPolarHBondContact CD1-O 3.44Å; V71-T94 PolarHBondContact N-O 3.46Å; T94-R139 CarbonylContact C-O 3.52Å; T94-R139 WeakPolarHBondContact CA-O 3.43Å; T94-R139 HydrophobicContact CG2-CB 4.5Å; T94-L141 HydrophobicContact CG2-CB 3.7Å; T94-F154 HydrophobicContact CG2-CE1 4.49Å; T94-F154 HydrophobicContact CG2-CZ 3.98Å; T94-F154 WeakPolarHBondContact OG1-CE1 3.37Å
95	L	98.5	Very high	96.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.6	179.4	-48.9	176.9	0	0	0	109.1	L74 A82 V93 A122 L129 V138 R139 V140 L141	L74-L95 HydrophobicContact CD1-CD2 4.2Å; L74-L95 HydrophobicContact CD2-CB 4.08Å; L74-L95 HydrophobicContact CG-CB 4.41Å; A82-L95 HydrophobicContact CB-CD2 4.16Å; V93-L95 HydrophobicContact CG1-CD2 3.79Å; L95-A122 HydrophobicContact CB-CB 4Å; L95-L129 HydrophobicContact CD1-CD1 3.59Å; L95-L129 HydrophobicContact CD2-CD1 4.14Å; L95-V138 HydrophobicContact CD1-CG1 3.83Å; L95-V138 HydrophobicContact CG-CG1 4.11Å; L95-R139 PolarHBondContact N-O 3.17Å; L95-V140 HydrophobicContact CB-CG2 4.46Å; L95-V140 CarbonylContact O-C 3.45Å; L95-V140 WeakPolarHBondContact O-CA 3.32Å; L95-L141 PolarHBondContact O-N 2.96Å
96	C	97.8	Very high	96.4	Very high	6 Å²	6	22.8 Å²	22.8	4%	0.041	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	96.1	177.6	-173	0	0	0	0	110.1	L70 V71 I72 G73 L141 K143	L70-C96 HydrophobicContact CD1-CB 4Å; V71-C96 PolarHBondContact O-N 2.94Å; I72-C96 WeakPolarHBondContact CA-O 3.25Å; I72-C96 HydrophobicContact CG1-CB 4.29Å; G73-C96 PolarHBondContact N-O 2.93Å; C96-L141 HydrophobicContact CB-CB 4.41Å; C96-L141 PolarHBondContact SG-O 3.07Å; C96-K143 PolarHBondContact SG-O 2.77Å
97	D	96.5	Very high	96.3	Very high	9 Å²	9	22.9 Å²	22.9	5%	0.048	13%	0.134	C	C	.	.			trans	-160.1	99.9	170.7	-169.2	-3.7	0	0	0	109.6	L74 T99 R121 A122	L74-D97 HydrophobicContact CB-CB 3.92Å; L74-D97 HydrophobicContact CD2-CB 3.93Å; L74-D97 HydrophobicContact CG-CB 4.41Å; L74-D97 PolarHBondContact N-OD2 2.96Å; D97-T99 VanDerWaalsContact C-N 3.28Å; D97-T99 WeakPolarHBondContact OD1-CB 3.32Å; D97-T99 PolarHBondContact OD1-N 3.43Å; D97-T99 PolarHBondContact OD1-OG1 2.86Å; D97-R121 HydrophobicContact CB-CB 4.4Å; D97-R121 WeakPolarHBondContact OD2-CD 3.44Å; D97-R121 IonicContact OD2-NH1 3.61Å; D97-A122 HydrophobicContact CB-CB 4.2Å; D97-A122 VanDerWaalsContact O-CB 3.25Å; D97-A122 WeakPolarHBondContact O-CB 3.49Å; D97-A122 PolarHBondContact O-N 3.12Å; D97-A122 VanDerWaalsContact O-N 3.14Å
98	D	94.6	Very high	96.1	Very high	50 Å²	50	22.8 Å²	22.8	27%	0.267	13%	0.133	S	C	.	.			trans	-87.7	3	175.5	62.9	-9.5	0	0	0	112.9	P100 H144	D98-P100 WeakPolarHBondContact O-CD 3.26Å; D98-H144 IonicContact OD1-CE1 2.76Å; D98-H144 IonicContact OD1-CG 3.24Å; D98-H144 IonicContact OD1-ND1 4Å; D98-H144 PolarHBondContact OD1-ND1 2.88Å; D98-H144 WeakPolarHBondContact OD2-CA 3.43Å; D98-H144 WeakPolarHBondContact OD2-CB 3.27Å; D98-H144 IonicContact OD2-CG 2.65Å; D98-H144 PolarHBondContact OD2-N 3.09Å; D98-H144 IonicContact OD2-ND1 3.97Å; D98-H144 PolarHBondContact OD2-ND1 2.84Å
99	T	94.9	Very high	96.1	Very high	54 Å²	54	22.7 Å²	22.7	33%	0.331	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-65.2	129.4	178.3	-45.5	0	0	0	0	109.9	D97 L101 R121	D97-T99 VanDerWaalsContact C-N 3.28Å; D97-T99 WeakPolarHBondContact OD1-CB 3.32Å; D97-T99 PolarHBondContact OD1-N 3.43Å; D97-T99 PolarHBondContact OD1-OG1 2.86Å; T99-L101 PolarHBondContact O-N 3.34Å; T99-R121 WeakPolarHBondContact O-CG 3.47Å; T99-R121 PolarHBondContact O-N 2.94Å; T99-R121 VanDerWaalsContact O-N 3.09Å
100	P	96.2	Very high	96.1	Very high	75 Å²	75	22.8 Å²	22.8	49%	0.487	13%	0.133	S	C	.	.	B	Isolated β-bridge	trans	-60.9	134.7	173	-26	36	0	0	0	112.1	D98 C102 H119	D98-P100 WeakPolarHBondContact O-CD 3.26Å; P100-C102 PolarHBondContact O-N 2.93Å; P100-H119 WeakPolarHBondContact CA-O 3.05Å
101	L	96.1	Very high	96.1	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.016	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-60.4	132.4	172	-172.3	87.1	0	0	0	110.4	T99 D105 L106 H109 A112 D116 I117 G118 H119 R121 I124	T99-L101 PolarHBondContact O-N 3.34Å; L101-D105 HydrophobicContact CD1-CB 3.57Å; L101-D105 HydrophobicContact CG-CB 4.21Å; L101-L106 HydrophobicContact CD2-CD2 3.98Å; L101-H109 HydrophobicContact CD1-CB 4.42Å; L101-A112 HydrophobicContact CD1-CB 3.99Å; L101-A112 HydrophobicContact CD2-CB 3.55Å; L101-A112 HydrophobicContact CG-CB 4.44Å; L101-D116 HydrophobicContact CD2-CB 3.88Å; L101-I117 HydrophobicContact CD2-CG1 4.21Å; L101-G118 PolarHBondContact O-N 3Å; L101-H119 PolarHBondContact N-O 3.21Å; L101-R121 HydrophobicContact CB-CG 4.29Å; L101-R121 HydrophobicContact CD1-CG 4.07Å; L101-I124 HydrophobicContact CB-CD1 3.69Å; L101-I124 HydrophobicContact CD1-CD1 4.42Å; L101-I124 HydrophobicContact CD2-CD1 4.11Å; L101-I124 HydrophobicContact CG-CD1 4.29Å
102	C	94.3	Very high	96	Very high	56 Å²	56	18.6 Å²	18.6	38%	0.378	11%	0.114	S	C	.	.			trans	-114.1	170.2	173.5	77.8	0	0	0	0	111.9	P100 A104 D105	P100-C102 PolarHBondContact O-N 2.93Å; C102-A104 VanDerWaalsContact C-N 3.29Å; C102-A104 PolarHBondContact O-N 2.97Å; C102-D105 PolarHBondContact N-OD2 3.16Å; C102-D105 WeakPolarHBondContact O-CB 3.4Å; C102-D105 PolarHBondContact O-N 3.39Å; C102-D105 VanDerWaalsContact O-N 3.13Å; C102-D105 VanDerWaalsContact SG-CG 3.52Å; C102-D105 PolarHBondContact SG-OD2 3.48Å; C102-D105 VanDerWaalsContact SG-OD2 3.33Å
103	M	93.8	Very high	95.7	Very high	53 Å²	53	21.2 Å²	21.2	26%	0.261	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-56.5	-41.6	-178.7	-175.8	63.7	75.1	0	0	112.8	D105 L106 L114 I117 G447	M103-D105 PolarHBondContact O-N 3.11Å; M103-L106 WeakPolarHBondContact O-CB 3.48Å; M103-L106 PolarHBondContact O-N 3.15Å; M103-L106 HydrophobicContact SD-CD1 4.1Å; M103-L114 HydrophobicContact CE-CD2 3.79Å; M103-L114 HydrophobicContact SD-CD2 3.82Å; M103-I117 HydrophobicContact CE-CD1 3.86Å; M103-I117 HydrophobicContact SD-CD1 4.21Å; M103-G447 WeakPolarHBondContact CE-O 3.3Å
104	A	90.2	Very high	95.4	Very high	39 Å²	39	26.8 Å²	26.8	32%	0.322	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-65.2	-26.7	-178.4	0	0	0	0	0	112.7	C102 L106 T107 Q389	C102-A104 VanDerWaalsContact C-N 3.29Å; C102-A104 PolarHBondContact O-N 2.97Å; A104-L106 PolarHBondContact O-N 2.93Å; A104-T107 WeakPolarHBondContact O-CB 3.28Å; A104-T107 PolarHBondContact O-N 3.41Å; A104-T107 PolarHBondContact O-OG1 2.84Å; A104-Q389 PolarHBondContact O-OE1 3.49Å
105	D	94.5	Very high	95.2	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.027	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-66	-28.3	178.6	-60.7	-33.2	0	0	0	112	L101 C102 M103 T107 S108 H109 R121	L101-D105 HydrophobicContact CD1-CB 3.57Å; L101-D105 HydrophobicContact CG-CB 4.21Å; C102-D105 PolarHBondContact N-OD2 3.16Å; C102-D105 WeakPolarHBondContact O-CB 3.4Å; C102-D105 PolarHBondContact O-N 3.39Å; C102-D105 VanDerWaalsContact O-N 3.13Å; C102-D105 VanDerWaalsContact SG-CG 3.52Å; C102-D105 PolarHBondContact SG-OD2 3.48Å; C102-D105 VanDerWaalsContact SG-OD2 3.33Å; M103-D105 PolarHBondContact O-N 3.11Å; D105-T107 PolarHBondContact O-N 3.2Å; D105-T107 VanDerWaalsContact O-N 3.1Å; D105-S108 PolarHBondContact O-N 3.01Å; D105-S108 VanDerWaalsContact O-N 3.08Å; D105-H109 WeakPolarHBondContact O-CB 3.02Å; D105-H109 PolarHBondContact O-N 3.24Å; D105-R121 IonicContact OD1-CZ 3.5Å; D105-R121 IonicContact OD1-NE 3.34Å; D105-R121 IonicContact OD1-NH2 2.97Å; D105-R121 PolarHBondContact OD1-NH2 3.28Å; D105-R121 IonicContact OD2-CZ 2.78Å; D105-R121 VanDerWaalsContact OD2-CZ 3.26Å; D105-R121 IonicContact OD2-NE 3.69Å; D105-R121 PolarHBondContact OD2-NE 3.18Å; D105-R121 IonicContact OD2-NH2 3.93Å; D105-R121 PolarHBondContact OD2-NH2 3.06Å
106	L	95.7	Very high	95.1	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.016	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-66.6	-10.6	179.3	-63.8	177.8	0	0	0	113.5	L101 M103 A104 S108 A112 L114 I117 R449	L101-L106 HydrophobicContact CD2-CD2 3.98Å; M103-L106 WeakPolarHBondContact O-CB 3.48Å; M103-L106 PolarHBondContact O-N 3.15Å; M103-L106 HydrophobicContact SD-CD1 4.1Å; A104-L106 PolarHBondContact O-N 2.93Å; L106-S108 PolarHBondContact O-N 3.21Å; L106-A112 HydrophobicContact CD2-CB 3.74Å; L106-L114 HydrophobicContact CD1-CD2 3.69Å; L106-L114 HydrophobicContact CD1-CG 4.25Å; L106-I117 HydrophobicContact CD1-CD1 4.18Å; L106-I117 HydrophobicContact CD1-CG1 4.44Å; L106-R449 CarbonylContact C-O 3.46Å; L106-R449 HydrophobicContact CB-CB 3.76Å; L106-R449 HydrophobicContact CD1-CB 4.49Å; L106-R449 PolarHBondContact O-NH2 3.38Å
107	T	96.3	Very high	95	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.5	-32	170.8	-61.8	0	0	0	0	111.2	A104 D105 Q389 R449 G452 Q453	A104-T107 WeakPolarHBondContact O-CB 3.28Å; A104-T107 PolarHBondContact O-N 3.41Å; A104-T107 PolarHBondContact O-OG1 2.84Å; D105-T107 PolarHBondContact O-N 3.2Å; D105-T107 VanDerWaalsContact O-N 3.1Å; T107-Q389 HydrophobicContact CG2-CB 3.97Å; T107-R449 WeakPolarHBondContact CA-O 3.39Å; T107-R449 WeakPolarHBondContact CB-O 3.35Å; T107-R449 PolarHBondContact N-O 3.38Å; T107-R449 PolarHBondContact OG1-O 3.12Å; T107-G452 WeakPolarHBondContact OG1-CA 3.33Å; T107-G452 PolarHBondContact OG1-N 3.14Å; T107-Q453 HydrophobicContact CG2-CB 4.08Å
108	S	95.9	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-16.5	-175.9	60.9	0	0	0	0	114.5	G76 D105 L106 Y110 Q389	G76-S108 WeakPolarHBondContact CA-OG 3.46Å; D105-S108 PolarHBondContact O-N 3.01Å; D105-S108 VanDerWaalsContact O-N 3.08Å; L106-S108 PolarHBondContact O-N 3.21Å; S108-Y110 VanDerWaalsContact O-CD1 3.32Å; S108-Y110 WeakPolarHBondContact O-CD1 3.21Å; S108-Y110 PolarHBondContact O-N 3.3Å; S108-Y110 VanDerWaalsContact O-N 3.08Å; S108-Q389 PolarHBondContact OG-OE1 3.39Å
109	H	96.3	Very high	95.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.239	C	C	.	.			trans	-83.8	83.6	-176.3	-164	-66.4	0	0	0	112.5	L74 L101 D105 F111 A112	L74-H109 PolarHBondContact O-CD2 3.25Å; L74-H109 VanDerWaalsContact O-CD2 3.25Å; L101-H109 HydrophobicContact CD1-CB 4.42Å; D105-H109 WeakPolarHBondContact O-CB 3.02Å; D105-H109 PolarHBondContact O-N 3.24Å; H109-F111 PolarHBondContact O-N 3.37Å; H109-A112 HydrophobicContact CB-CB 4.44Å; H109-A112 WeakPolarHBondContact ND1-CB 3.23Å; H109-A112 PolarHBondContact ND1-N 2.87Å; H109-A112 VanDerWaalsContact ND1-N 3.11Å; H109-A112 PolarHBondContact O-N 3.3Å; H109-A112 VanDerWaalsContact O-N 3.14Å
110	Y	96.5	Very high	95.1	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.02	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-3.1	-174.6	47.7	-95.7	0	0	0	116.1	L79 E80 K83 S108 K484 L488 F516	L79-Y110 HydrophobicContact CD1-CE2 4.46Å; L79-Y110 HydrophobicContact CD2-CD1 4.16Å; L79-Y110 HydrophobicContact CD2-CD2 4.02Å; L79-Y110 HydrophobicContact CD2-CE1 3.99Å; L79-Y110 HydrophobicContact CD2-CE2 3.82Å; L79-Y110 HydrophobicContact CD2-CG 4.21Å; L79-Y110 HydrophobicContact CG-CE1 4.19Å; L79-Y110 HydrophobicContact CG-CE2 3.94Å; E80-Y110 WeakPolarHBondContact CA-OH 3.46Å; E80-Y110 WeakPolarHBondContact OE2-CE1 3.44Å; E80-Y110 VanDerWaalsContact OE2-CZ 3.32Å; E80-Y110 PolarHBondContact OE2-OH 3.42Å; K83-Y110 HydrophobicContact CD-CE2 4.5Å; K83-Y110 WeakPolarHBondContact CD-OH 3.3Å; S108-Y110 VanDerWaalsContact O-CD1 3.32Å; S108-Y110 WeakPolarHBondContact O-CD1 3.21Å; S108-Y110 PolarHBondContact O-N 3.3Å; S108-Y110 VanDerWaalsContact O-N 3.08Å; Y110-K484 HydrophobicContact CD1-CD 3.91Å; Y110-K484 HydrophobicContact CD1-CG 4.15Å; Y110-K484 HydrophobicContact CE1-CD 3.9Å; Y110-K484 HydrophobicContact CG-CD 4.28Å; Y110-K484 HydrophobicContact CG-CG 4.21Å; Y110-L488 HydrophobicContact CD1-CD1 3.99Å; Y110-F516 HydrophobicContact CD2-CE2 4.15Å; Y110-F516 HydrophobicContact CE2-CE2 4.05Å
111	F	96.5	Very high	95.2	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.053	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-4.4	173.2	-77.9	-17.4	0	0	0	114.5	L79 H109 C125 K128 L129 L132 F516	L79-F111 HydrophobicContact CD1-CD2 3.65Å; L79-F111 HydrophobicContact CD1-CE2 4.09Å; L79-F111 HydrophobicContact CD2-CB 4.31Å; L79-F111 HydrophobicContact CD2-CD2 4.35Å; H109-F111 PolarHBondContact O-N 3.37Å; F111-C125 HydrophobicContact CB-CB 4.29Å; F111-C125 HydrophobicContact CD2-CB 4.11Å; F111-K128 HydrophobicContact CB-CB 4.44Å; F111-K128 HydrophobicContact CB-CD 3.69Å; F111-K128 HydrophobicContact CD1-CB 3.99Å; F111-K128 HydrophobicContact CD1-CD 3.66Å; F111-K128 HydrophobicContact CD1-CG 4.43Å; F111-K128 HydrophobicContact CD2-CB 3.69Å; F111-K128 HydrophobicContact CD2-CD 4.42Å; F111-K128 HydrophobicContact CE1-CB 4.13Å; F111-K128 HydrophobicContact CE1-CD 4.43Å; F111-K128 HydrophobicContact CE2-CB 3.86Å; F111-K128 HydrophobicContact CG-CB 3.79Å; F111-K128 HydrophobicContact CG-CD 3.67Å; F111-K128 HydrophobicContact CG-CG 4.38Å; F111-K128 HydrophobicContact CZ-CB 4.08Å; F111-K128 PolarHBondContact O-NZ 3.03Å; F111-L129 HydrophobicContact CD2-CD2 4.38Å; F111-L129 HydrophobicContact CD2-CG 4.18Å; F111-L129 HydrophobicContact CE2-CD2 3.72Å; F111-L129 HydrophobicContact CE2-CG 3.86Å; F111-L132 HydrophobicContact CZ-CD1 4.45Å; F111-L132 HydrophobicContact CZ-CD2 4.42Å; F111-F516 HydrophobicContact CE1-CE2 4.35Å; F111-F516 HydrophobicContact CZ-CD2 4.47Å; F111-F516 HydrophobicContact CZ-CE2 4.49Å
112	A	95.3	Very high	95.2	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.025	22%	0.216	C	C	.	.			trans	-105.8	157.4	178	0	0	0	0	0	110.9	L101 L106 H109 D116 I124	L101-A112 HydrophobicContact CD1-CB 3.99Å; L101-A112 HydrophobicContact CD2-CB 3.55Å; L101-A112 HydrophobicContact CG-CB 4.44Å; L106-A112 HydrophobicContact CD2-CB 3.74Å; H109-A112 HydrophobicContact CB-CB 4.44Å; H109-A112 WeakPolarHBondContact ND1-CB 3.23Å; H109-A112 PolarHBondContact ND1-N 2.87Å; H109-A112 VanDerWaalsContact ND1-N 3.11Å; H109-A112 PolarHBondContact O-N 3.3Å; H109-A112 VanDerWaalsContact O-N 3.14Å; A112-D116 WeakPolarHBondContact CA-OD2 3.28Å; A112-D116 HydrophobicContact CB-CB 4.26Å; A112-I124 HydrophobicContact CB-CG2 3.94Å
113	N	92.6	Very high	95.3	Very high	64 Å²	64	36.9 Å²	36.9	34%	0.342	21%	0.214	S	C	.	.			trans	-128.8	178.1	171.4	64.8	68.6	0	0	0	110.3	S115 D116	N113-S115 PolarHBondContact O-N 3.39Å; N113-S115 VanDerWaalsContact O-N 3.16Å; N113-S115 WeakPolarHBondContact OD1-CA 3.47Å; N113-S115 WeakPolarHBondContact OD1-CB 3.43Å; N113-S115 PolarHBondContact OD1-N 3.48Å; N113-S115 PolarHBondContact OD1-OG 3.28Å; N113-D116 VanDerWaalsContact CG-OD2 3.25Å; N113-D116 PolarHBondContact N-OD2 3.12Å; N113-D116 PolarHBondContact ND2-OD2 3.12Å; N113-D116 WeakPolarHBondContact O-CB 3.38Å; N113-D116 PolarHBondContact O-N 2.82Å
114	L	92.3	Very high	95.4	Very high	117 Å²	117	35.5 Å²	35.5	61%	0.613	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-57.7	-29.9	-178.4	-72.4	167.7	0	0	0	113.8	M103 L106 D116 I117	M103-L114 HydrophobicContact CE-CD2 3.79Å; M103-L114 HydrophobicContact SD-CD2 3.82Å; L106-L114 HydrophobicContact CD1-CD2 3.69Å; L106-L114 HydrophobicContact CD1-CG 4.25Å; L114-D116 VanDerWaalsContact C-N 3.3Å; L114-I117 HydrophobicContact CD2-CD1 4.21Å; L114-I117 WeakPolarHBondContact O-CG1 3.26Å
115	S	94.3	Very high	95.7	Very high	91 Å²	91	33.6 Å²	33.6	64%	0.636	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-77.9	-14.2	179.3	72.5	0	0	0	0	113.9	N113 I117	N113-S115 PolarHBondContact O-N 3.39Å; N113-S115 VanDerWaalsContact O-N 3.16Å; N113-S115 WeakPolarHBondContact OD1-CA 3.47Å; N113-S115 WeakPolarHBondContact OD1-CB 3.43Å; N113-S115 PolarHBondContact OD1-N 3.48Å; N113-S115 PolarHBondContact OD1-OG 3.28Å; S115-I117 VanDerWaalsContact C-N 3.33Å
116	D	95.9	Very high	95.8	Very high	33 Å²	33	36.6 Å²	36.6	18%	0.176	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-83	-10.4	177.8	-60.9	-45.2	0	0	0	112.5	L101 A112 N113 L114 G118 H119 I124	L101-D116 HydrophobicContact CD2-CB 3.88Å; A112-D116 WeakPolarHBondContact CA-OD2 3.28Å; A112-D116 HydrophobicContact CB-CB 4.26Å; N113-D116 VanDerWaalsContact CG-OD2 3.25Å; N113-D116 PolarHBondContact N-OD2 3.12Å; N113-D116 PolarHBondContact ND2-OD2 3.12Å; N113-D116 WeakPolarHBondContact O-CB 3.38Å; N113-D116 PolarHBondContact O-N 2.82Å; L114-D116 VanDerWaalsContact C-N 3.3Å; D116-G118 PolarHBondContact O-N 3.49Å; D116-H119 WeakPolarHBondContact O-CB 3.48Å; D116-H119 PolarHBondContact O-N 3.28Å; D116-H119 PolarHBondContact O-ND1 2.7Å; D116-I124 HydrophobicContact CB-CD1 3.82Å; D116-I124 HydrophobicContact CB-CG1 4.05Å; D116-I124 HydrophobicContact CB-CG2 4.15Å
117	I	95.9	Very high	95.8	Very high	64 Å²	64	41.4 Å²	41.4	33%	0.328	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	133.3	179.2	-67.1	175.9	0	0	0	110.3	L101 M103 L106 L114 S115 H119	L101-I117 HydrophobicContact CD2-CG1 4.21Å; M103-I117 HydrophobicContact CE-CD1 3.86Å; M103-I117 HydrophobicContact SD-CD1 4.21Å; L106-I117 HydrophobicContact CD1-CD1 4.18Å; L106-I117 HydrophobicContact CD1-CG1 4.44Å; L114-I117 HydrophobicContact CD2-CD1 4.21Å; L114-I117 WeakPolarHBondContact O-CG1 3.26Å; S115-I117 VanDerWaalsContact C-N 3.33Å; I117-H119 VanDerWaalsContact C-N 3.34Å
118	G	96.5	Very high	95.8	Very high	48 Å²	48	44.3 Å²	44.3	50%	0.495	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-13	-176.3	0	0	0	0	0	114.9	L101 D116	L101-G118 PolarHBondContact O-N 3Å; D116-G118 PolarHBondContact O-N 3.49Å
119	H	96.4	Very high	95.8	Very high	105 Å²	105	44.3 Å²	44.3	49%	0.486	24%	0.242	S	C	.	.	S	Bend	trans	-88	152.1	175.4	-62.1	84.4	0	0	0	111.7	P100 L101 D116 I117 R121 I124	P100-H119 WeakPolarHBondContact CA-O 3.05Å; L101-H119 PolarHBondContact N-O 3.21Å; D116-H119 WeakPolarHBondContact O-CB 3.48Å; D116-H119 PolarHBondContact O-N 3.28Å; D116-H119 PolarHBondContact O-ND1 2.7Å; I117-H119 VanDerWaalsContact C-N 3.34Å; H119-R121 PolarHBondContact O-N 2.77Å; H119-I124 HydrophobicContact CB-CD1 3.96Å; H119-I124 HydrophobicContact CB-CG1 3.96Å; H119-I124 WeakPolarHBondContact O-CD1 3.21Å
120	P	96.7	Very high	95.9	Very high	45 Å²	45	46 Å²	46	29%	0.292	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-59.5	128.2	177.1	-25.8	35.8	0	0	0	112.9	A122 E123 I124	P120-A122 VanDerWaalsContact C-N 3.31Å; P120-A122 PolarHBondContact O-N 2.88Å; P120-E123 HydrophobicContact CB-CB 4.35Å; P120-E123 HydrophobicContact CB-CG 4.24Å; P120-E123 PolarHBondContact O-N 3.39Å; P120-E123 VanDerWaalsContact O-N 3.1Å; P120-I124 WeakPolarHBondContact O-CG1 3.49Å; P120-I124 PolarHBondContact O-N 3.34Å; P120-I124 VanDerWaalsContact O-N 3.13Å
121	R	96.6	Very high	95.9	Very high	17 Å²	17	49 Å²	49	6%	0.064	27%	0.269	C	S	.	.	H	α-helix	trans	-54.8	-41.8	-177.5	-69.8	164.2	-176.7	172.5	-5.3	113.3	L74 E75 D97 T99 L101 D105 H119 E123 I124 C125	L74-R121 HydrophobicContact CB-CB 4.21Å; E75-R121 IonicContact OE1-CZ 3.54Å; E75-R121 IonicContact OE1-NH1 3.66Å; E75-R121 PolarHBondContact OE1-NH1 3.46Å; E75-R121 IonicContact OE1-NH2 3.77Å; D97-R121 HydrophobicContact CB-CB 4.4Å; D97-R121 WeakPolarHBondContact OD2-CD 3.44Å; D97-R121 IonicContact OD2-NH1 3.61Å; T99-R121 WeakPolarHBondContact O-CG 3.47Å; T99-R121 PolarHBondContact O-N 2.94Å; T99-R121 VanDerWaalsContact O-N 3.09Å; L101-R121 HydrophobicContact CB-CG 4.29Å; L101-R121 HydrophobicContact CD1-CG 4.07Å; D105-R121 IonicContact OD1-CZ 3.5Å; D105-R121 IonicContact OD1-NE 3.34Å; D105-R121 IonicContact OD1-NH2 2.97Å; D105-R121 PolarHBondContact OD1-NH2 3.28Å; D105-R121 IonicContact OD2-CZ 2.78Å; D105-R121 VanDerWaalsContact OD2-CZ 3.26Å; D105-R121 IonicContact OD2-NE 3.69Å; D105-R121 PolarHBondContact OD2-NE 3.18Å; D105-R121 IonicContact OD2-NH2 3.93Å; D105-R121 PolarHBondContact OD2-NH2 3.06Å; H119-R121 PolarHBondContact O-N 2.77Å; R121-E123 PolarHBondContact O-N 3.42Å; R121-I124 PolarHBondContact O-N 3.04Å; R121-C125 PolarHBondContact O-N 3.09Å; R121-C125 PolarHBondContact O-SG 3.5Å
122	A	97.1	Very high	95.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-37.2	179.2	0	0	0	0	0	113.1	L95 D97 P120 K126 V140	L95-A122 HydrophobicContact CB-CB 4Å; D97-A122 HydrophobicContact CB-CB 4.2Å; D97-A122 VanDerWaalsContact O-CB 3.25Å; D97-A122 WeakPolarHBondContact O-CB 3.49Å; D97-A122 PolarHBondContact O-N 3.12Å; D97-A122 VanDerWaalsContact O-N 3.14Å; P120-A122 VanDerWaalsContact C-N 3.31Å; P120-A122 PolarHBondContact O-N 2.88Å; A122-K126 WeakPolarHBondContact O-CB 3.41Å; A122-K126 PolarHBondContact O-N 3.28Å; A122-K126 VanDerWaalsContact O-N 3.17Å; A122-V140 HydrophobicContact CB-CG1 3.86Å; A122-V140 HydrophobicContact CB-CG2 4.33Å
123	E	96.8	Very high	96	Very high	70 Å²	70	49.4 Å²	49.4	33%	0.327	27%	0.271	S	S	.	.	H	α-helix	trans	-72.5	-35.7	178.8	-67.3	-68.3	179.8	0	0	111.7	P120 R121 C125 V140 N142	P120-E123 HydrophobicContact CB-CB 4.35Å; P120-E123 HydrophobicContact CB-CG 4.24Å; P120-E123 PolarHBondContact O-N 3.39Å; P120-E123 VanDerWaalsContact O-N 3.1Å; R121-E123 PolarHBondContact O-N 3.42Å; E123-C125 PolarHBondContact O-N 3.06Å; E123-V140 HydrophobicContact CG-CG1 4.32Å; E123-V140 WeakPolarHBondContact OE1-CG1 3.02Å; E123-N142 PolarHBondContact OE1-ND2 3.11Å
124	I	96	Very high	96	Very high	23 Å²	23	52.3 Å²	52.3	12%	0.118	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-47	177	-65.2	159.7	0	0	0	111.1	L101 A112 D116 H119 P120 R121	L101-I124 HydrophobicContact CB-CD1 3.69Å; L101-I124 HydrophobicContact CD1-CD1 4.42Å; L101-I124 HydrophobicContact CD2-CD1 4.11Å; L101-I124 HydrophobicContact CG-CD1 4.29Å; A112-I124 HydrophobicContact CB-CG2 3.94Å; D116-I124 HydrophobicContact CB-CD1 3.82Å; D116-I124 HydrophobicContact CB-CG1 4.05Å; D116-I124 HydrophobicContact CB-CG2 4.15Å; H119-I124 HydrophobicContact CB-CD1 3.96Å; H119-I124 HydrophobicContact CB-CG1 3.96Å; H119-I124 WeakPolarHBondContact O-CD1 3.21Å; P120-I124 WeakPolarHBondContact O-CG1 3.49Å; P120-I124 PolarHBondContact O-N 3.34Å; P120-I124 VanDerWaalsContact O-N 3.13Å; R121-I124 PolarHBondContact O-N 3.04Å
125	C	95.5	Very high	96.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-88.1	-15.7	-173.5	60.9	0	0	0	0	114.4	L79 F111 R121 E123 N127 K128 L129	L79-C125 HydrophobicContact CD1-CB 3.92Å; F111-C125 HydrophobicContact CB-CB 4.29Å; F111-C125 HydrophobicContact CD2-CB 4.11Å; R121-C125 PolarHBondContact O-N 3.09Å; R121-C125 PolarHBondContact O-SG 3.5Å; E123-C125 PolarHBondContact O-N 3.06Å; C125-N127 PolarHBondContact O-N 3.37Å; C125-K128 PolarHBondContact O-N 3.2Å; C125-L129 HydrophobicContact CB-CD1 3.89Å; C125-L129 HydrophobicContact CB-CG 4.32Å; C125-L129 WeakPolarHBondContact O-CB 3.43Å; C125-L129 WeakPolarHBondContact O-CG 3.38Å; C125-L129 PolarHBondContact O-N 3.21Å
126	K	97.1	Very high	96.2	Very high	68 Å²	68	47.7 Å²	47.7	30%	0.296	25%	0.252	S	S	.	.	H	α-helix	trans	-47.7	-55.5	-176.2	178.3	-164	177.7	-178.8	0	113.9	A122 L129 S130 V140	A122-K126 WeakPolarHBondContact O-CB 3.41Å; A122-K126 PolarHBondContact O-N 3.28Å; A122-K126 VanDerWaalsContact O-N 3.17Å; K126-L129 PolarHBondContact O-N 2.77Å; K126-S130 WeakPolarHBondContact O-CB 3.49Å; K126-S130 PolarHBondContact O-N 3.35Å; K126-S130 PolarHBondContact O-OG 3.47Å; K126-V140 HydrophobicContact CB-CG2 3.87Å; K126-V140 HydrophobicContact CD-CG2 3.79Å; K126-V140 HydrophobicContact CG-CG2 3.89Å
127	N	95.6	Very high	96.3	Very high	104 Å²	104	49 Å²	49	56%	0.556	26%	0.263	S	S	*	.	H	α-helix	trans	-68.1	-44.9	-174.3	-68.3	-19.4	0	0	0	110.9	C125 L129 S130 E131	C125-N127 PolarHBondContact O-N 3.37Å; N127-L129 VanDerWaalsContact C-N 3.31Å; N127-L129 PolarHBondContact O-N 3.17Å; N127-S130 WeakPolarHBondContact O-CB 3.46Å; N127-S130 PolarHBondContact O-N 2.61Å; N127-S130 VanDerWaalsContact O-N 3.11Å; N127-E131 WeakPolarHBondContact O-CG 3.35Å; N127-E131 PolarHBondContact O-N 2.67Å; N127-E131 VanDerWaalsContact O-N 3.07Å
128	K	95.3	Very high	96.5	Very high	61 Å²	61	46.7 Å²	46.7	27%	0.265	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-36.7	179	-68.4	-178.3	177	179.6	0	112.6	F111 C125	F111-K128 HydrophobicContact CB-CB 4.44Å; F111-K128 HydrophobicContact CB-CD 3.69Å; F111-K128 HydrophobicContact CD1-CB 3.99Å; F111-K128 HydrophobicContact CD1-CD 3.66Å; F111-K128 HydrophobicContact CD1-CG 4.43Å; F111-K128 HydrophobicContact CD2-CB 3.69Å; F111-K128 HydrophobicContact CD2-CD 4.42Å; F111-K128 HydrophobicContact CE1-CB 4.13Å; F111-K128 HydrophobicContact CE1-CD 4.43Å; F111-K128 HydrophobicContact CE2-CB 3.86Å; F111-K128 HydrophobicContact CG-CB 3.79Å; F111-K128 HydrophobicContact CG-CD 3.67Å; F111-K128 HydrophobicContact CG-CG 4.38Å; F111-K128 HydrophobicContact CZ-CB 4.08Å; F111-K128 PolarHBondContact O-NZ 3.03Å; C125-K128 PolarHBondContact O-N 3.2Å
129	L	97.6	Very high	96.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.5	-40.5	173	-76	169.6	0	0	0	111.6	L79 A82 K83 I86 L95 F111 C125 K126 N127 E131 L132 V138	L79-L129 HydrophobicContact CD1-CD1 4.01Å; L79-L129 HydrophobicContact CD1-CD2 3.93Å; L79-L129 HydrophobicContact CD1-CG 4.16Å; A82-L129 HydrophobicContact CB-CD1 4.21Å; A82-L129 HydrophobicContact CB-CD2 4.3Å; K83-L129 HydrophobicContact CB-CD2 4.45Å; I86-L129 HydrophobicContact CD1-CB 3.7Å; I86-L129 HydrophobicContact CD1-CD1 4.43Å; I86-L129 HydrophobicContact CD1-CD2 3.87Å; I86-L129 HydrophobicContact CD1-CG 4.2Å; L95-L129 HydrophobicContact CD1-CD1 3.59Å; L95-L129 HydrophobicContact CD2-CD1 4.14Å; F111-L129 HydrophobicContact CD2-CD2 4.38Å; F111-L129 HydrophobicContact CD2-CG 4.18Å; F111-L129 HydrophobicContact CE2-CD2 3.72Å; F111-L129 HydrophobicContact CE2-CG 3.86Å; C125-L129 HydrophobicContact CB-CD1 3.89Å; C125-L129 HydrophobicContact CB-CG 4.32Å; C125-L129 WeakPolarHBondContact O-CB 3.43Å; C125-L129 WeakPolarHBondContact O-CG 3.38Å; C125-L129 PolarHBondContact O-N 3.21Å; K126-L129 PolarHBondContact O-N 2.77Å; N127-L129 VanDerWaalsContact C-N 3.31Å; N127-L129 PolarHBondContact O-N 3.17Å; L129-E131 PolarHBondContact O-N 2.81Å; L129-L132 HydrophobicContact CD2-CD1 3.98Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.21Å; L129-L132 VanDerWaalsContact O-N 3.16Å; L129-V138 HydrophobicContact CB-CG1 4.35Å
130	S	97.3	Very high	96.6	Very high	35 Å²	35	48.1 Å²	48.1	25%	0.245	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-34.7	177	-54.1	0	0	0	0	112.4	K126 N127 L132 V138	K126-S130 WeakPolarHBondContact O-CB 3.49Å; K126-S130 PolarHBondContact O-N 3.35Å; K126-S130 PolarHBondContact O-OG 3.47Å; N127-S130 WeakPolarHBondContact O-CB 3.46Å; N127-S130 PolarHBondContact O-N 2.61Å; N127-S130 VanDerWaalsContact O-N 3.11Å; S130-L132 VanDerWaalsContact C-N 3.27Å; S130-L132 PolarHBondContact O-N 2.71Å; S130-V138 WeakPolarHBondContact OG-CB 3.34Å
131	E	96.6	Very high	96.6	Very high	70 Å²	70	47.3 Å²	47.3	33%	0.327	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18	178.9	-69.2	170.5	-163.9	0	0	114.2	N127 L129 N133 R519 W521	N127-E131 WeakPolarHBondContact O-CG 3.35Å; N127-E131 PolarHBondContact O-N 2.67Å; N127-E131 VanDerWaalsContact O-N 3.07Å; L129-E131 PolarHBondContact O-N 2.81Å; E131-N133 VanDerWaalsContact C-N 3.32Å; E131-R519 IonicContact OE2-CZ 2.77Å; E131-R519 IonicContact OE2-NE 3.67Å; E131-R519 PolarHBondContact OE2-NE 3.31Å; E131-R519 VanDerWaalsContact OE2-NE 3.11Å; E131-R519 IonicContact OE2-NH2 3.85Å; E131-W521 HydrophobicContact CB-CH2 4.5Å; E131-W521 HydrophobicContact CG-CH2 4.15Å
132	L	97.2	Very high	96.2	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.079	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-36.3	-179.6	-64.1	-178.2	0	0	0	111.7	K83 I86 L87 F111 L129 S130 F516	K83-L132 HydrophobicContact CB-CD1 4.28Å; K83-L132 HydrophobicContact CG-CD1 3.81Å; I86-L132 HydrophobicContact CG2-CB 3.98Å; L87-L132 HydrophobicContact CD2-CB 4.07Å; L87-L132 HydrophobicContact CG-CD1 4.47Å; F111-L132 HydrophobicContact CZ-CD1 4.45Å; F111-L132 HydrophobicContact CZ-CD2 4.42Å; L129-L132 HydrophobicContact CD2-CD1 3.98Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.21Å; L129-L132 VanDerWaalsContact O-N 3.16Å; S130-L132 VanDerWaalsContact C-N 3.27Å; S130-L132 PolarHBondContact O-N 2.71Å; L132-F516 HydrophobicContact CD2-CB 4.08Å; L132-F516 HydrophobicContact CD2-CD2 4.31Å
133	N	96.3	Very high	95.9	Very high	7 Å²	7	55 Å²	55	4%	0.037	27%	0.273	C	S	.	.			trans	-153.5	106.3	-177.4	-167.4	-15.8	0	0	0	111.8	Y49 I86 E131 H135 V136	Y49-N133 PolarHBondContact OH-ND2 2.88Å; Y49-N133 PolarHBondContact OH-OD1 3.07Å; I86-N133 HydrophobicContact CG2-CB 3.82Å; I86-N133 WeakPolarHBondContact O-CB 3.4Å; I86-N133 PolarHBondContact O-ND2 3.46Å; E131-N133 VanDerWaalsContact C-N 3.32Å; N133-H135 PolarHBondContact O-N 3.11Å; N133-H135 VanDerWaalsContact O-N 3.11Å; N133-H135 WeakPolarHBondContact OD1-CB 3.39Å; N133-H135 PolarHBondContact OD1-N 3.38Å; N133-H135 VanDerWaalsContact OD1-N 3.11Å; N133-V136 HydrophobicContact CB-CB 4.47Å; N133-V136 HydrophobicContact CB-CG2 3.97Å; N133-V136 PolarHBondContact O-N 3.49Å
134	N	93.2	Very high	95.3	Very high	126 Å²	126	59.1 Å²	59.1	67%	0.674	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.3	-178.3	-65.9	-31.9	0	0	0	114.1	V136	N134-V136 VanDerWaalsContact C-N 3.34Å
135	H	94.5	Very high	94.9	Very high	103 Å²	103	64.3 Å²	64.3	48%	0.477	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.8	175.4	-62.6	-70.6	0	0	0	112.7	D45 N133	D45-H135 IonicContact OD2-CE1 3.22Å; D45-H135 IonicContact OD2-NE2 3.09Å; D45-H135 PolarHBondContact OD2-NE2 3.21Å; N133-H135 PolarHBondContact O-N 3.11Å; N133-H135 VanDerWaalsContact O-N 3.11Å; N133-H135 WeakPolarHBondContact OD1-CB 3.39Å; N133-H135 PolarHBondContact OD1-N 3.38Å; N133-H135 VanDerWaalsContact OD1-N 3.11Å
136	V	97.2	Very high	94.9	Very high	7 Å²	7	64.6 Å²	64.6	4%	0.042	32%	0.315	C	S	.	.	S	Bend	trans	-102	121	-177.8	-173.5	0	0	0	0	110.3	I86 V90 V93 N133 N134 V138	I86-V136 HydrophobicContact CG1-CG1 4.22Å; I86-V136 HydrophobicContact CG2-CB 4.17Å; I86-V136 HydrophobicContact CG2-CG1 4.4Å; I86-V136 HydrophobicContact CG2-CG2 4.34Å; I86-V136 VanDerWaalsContact O-CG2 3.31Å; I86-V136 WeakPolarHBondContact O-CG2 3.44Å; V90-V136 HydrophobicContact CG2-CG1 3.91Å; V90-V136 VanDerWaalsContact O-CG2 3.3Å; V90-V136 WeakPolarHBondContact O-CG2 3.32Å; V93-V136 HydrophobicContact CG2-CG1 4.02Å; N133-V136 HydrophobicContact CB-CB 4.47Å; N133-V136 HydrophobicContact CB-CG2 3.97Å; N133-V136 PolarHBondContact O-N 3.49Å; N134-V136 VanDerWaalsContact C-N 3.34Å; V136-V138 PolarHBondContact O-N 2.88Å
137	S	97.7	Very high	94.7	Very high	60 Å²	60	62.7 Å²	62.7	42%	0.42	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	117	173	-73	0	0	0	0	110.9	K91 S92 V93	K91-S137 PolarHBondContact O-N 3.28Å; S92-S137 CarbonylContact C-O 3.58Å; S92-S137 WeakPolarHBondContact CA-O 3.32Å; S92-S137 VanDerWaalsContact CB-O 3.27Å; S92-S137 WeakPolarHBondContact CB-O 3.4Å; V93-S137 PolarHBondContact N-O 3.3Å
138	V	98.5	Very high	94.7	Very high	16 Å²	16	59.6 Å²	59.6	10%	0.097	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.6	175.1	-174	0	0	0	0	110.7	I86 V93 L95 L129 S130 V136	I86-V138 HydrophobicContact CD1-CG2 3.69Å; I86-V138 HydrophobicContact CG1-CG2 4.28Å; V93-V138 VanDerWaalsContact O-CA 3.3Å; V93-V138 WeakPolarHBondContact O-CA 3.38Å; L95-V138 HydrophobicContact CD1-CG1 3.83Å; L95-V138 HydrophobicContact CG-CG1 4.11Å; L129-V138 HydrophobicContact CB-CG1 4.35Å; S130-V138 WeakPolarHBondContact OG-CB 3.34Å; V136-V138 PolarHBondContact O-N 2.88Å
139	R	97.8	Very high	94.7	Very high	154 Å²	154	62.7 Å²	62.7	58%	0.581	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	161.1	-178.1	-58.5	-178.4	-173.9	-158.9	2.5	110.7	V93 T94 L95	V93-R139 PolarHBondContact O-N 2.95Å; T94-R139 CarbonylContact C-O 3.52Å; T94-R139 WeakPolarHBondContact CA-O 3.43Å; T94-R139 HydrophobicContact CG2-CB 4.5Å; L95-R139 PolarHBondContact N-O 3.17Å
140	V	97.9	Very high	94.7	Very high	30 Å²	30	64 Å²	64	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.2	172.6	179	0	0	0	0	109.1	L95 A122 E123 K126 N142	L95-V140 HydrophobicContact CB-CG2 4.46Å; L95-V140 CarbonylContact O-C 3.45Å; L95-V140 WeakPolarHBondContact O-CA 3.32Å; A122-V140 HydrophobicContact CB-CG1 3.86Å; A122-V140 HydrophobicContact CB-CG2 4.33Å; E123-V140 HydrophobicContact CG-CG1 4.32Å; E123-V140 WeakPolarHBondContact OE1-CG1 3.02Å; K126-V140 HydrophobicContact CB-CG2 3.87Å; K126-V140 HydrophobicContact CD-CG2 3.79Å; K126-V140 HydrophobicContact CG-CG2 3.89Å; V140-N142 VanDerWaalsContact CG1-OD1 3.27Å; V140-N142 WeakPolarHBondContact CG1-OD1 3.4Å
141	L	96.5	Very high	94.7	Very high	28 Å²	28	62.3 Å²	62.3	15%	0.147	32%	0.315	C	S	.	.			trans	-110.7	100	170.3	-179.9	61.8	0	0	0	108.4	T94 L95 C96 K143 L146	T94-L141 HydrophobicContact CG2-CB 3.7Å; L95-L141 PolarHBondContact O-N 2.96Å; C96-L141 HydrophobicContact CB-CB 4.41Å; C96-L141 PolarHBondContact SG-O 3.07Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 HydrophobicContact CD1-CD 4.25Å; L141-K143 HydrophobicContact CD1-CG 4.29Å; L141-K143 HydrophobicContact CG-CB 4.43Å; L141-K143 HydrophobicContact CG-CG 4.48Å; L141-K143 PolarHBondContact O-N 3.25Å; L141-L146 HydrophobicContact CD2-CD2 3.57Å; L141-L146 HydrophobicContact CG-CD2 4.26Å
142	N	89.4	Confident	94.7	Very high	91 Å²	91	66 Å²	66	49%	0.487	33%	0.326	S	S	.	.			trans	-81.4	79.7	179.1	-69.6	-43.7	0	0	0	110.4	E123 V140	E123-N142 PolarHBondContact OE1-ND2 3.11Å; V140-N142 VanDerWaalsContact CG1-OD1 3.27Å; V140-N142 WeakPolarHBondContact CG1-OD1 3.4Å
143	K	89.8	Confident	94.6	Very high	88 Å²	88	71.1 Å²	71.1	38%	0.383	35%	0.347	S	S	.	.			trans	-141.4	133.6	174.4	-78.7	-171.2	172.5	-177	0	110.7	C96 L141 L146 D150	C96-K143 PolarHBondContact SG-O 2.77Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 HydrophobicContact CD1-CD 4.25Å; L141-K143 HydrophobicContact CD1-CG 4.29Å; L141-K143 HydrophobicContact CG-CB 4.43Å; L141-K143 HydrophobicContact CG-CG 4.48Å; L141-K143 PolarHBondContact O-N 3.25Å; K143-L146 HydrophobicContact CB-CD2 3.69Å; K143-L146 HydrophobicContact CD-CD2 4Å; K143-L146 HydrophobicContact CG-CD2 4.48Å; K143-D150 VanDerWaalsContact NZ-CG 3.33Å; K143-D150 IonicContact NZ-OD1 3.54Å; K143-D150 PolarHBondContact NZ-OD1 3.02Å; K143-D150 IonicContact NZ-OD2 2.83Å; K143-D150 PolarHBondContact NZ-OD2 3.43Å
144	H	83.6	Confident	94.7	Very high	156 Å²	156	71.1 Å²	71.1	72%	0.722	35%	0.347	S	S	*	.	S	Bend	trans	-78	-36	179.7	-146.5	29	0	0	0	113	D98	D98-H144 IonicContact OD1-CE1 2.76Å; D98-H144 IonicContact OD1-CG 3.24Å; D98-H144 IonicContact OD1-ND1 4Å; D98-H144 PolarHBondContact OD1-ND1 2.88Å; D98-H144 WeakPolarHBondContact OD2-CA 3.43Å; D98-H144 WeakPolarHBondContact OD2-CB 3.27Å; D98-H144 IonicContact OD2-CG 2.65Å; D98-H144 PolarHBondContact OD2-N 3.09Å; D98-H144 IonicContact OD2-ND1 3.97Å; D98-H144 PolarHBondContact OD2-ND1 2.84Å
145	K	88.9	Confident	94.9	Very high	131 Å²	131	67.3 Å²	67.3	57%	0.57	33%	0.33	S	S	*	.	S	Bend	trans	-127.8	136.6	174.6	-174.3	165.4	-177.6	161.4	0	110.3	E169	K145-E169 WeakPolarHBondContact CE-OE1 3.28Å; K145-E169 IonicContact NZ-OE1 2.77Å; K145-E169 PolarHBondContact NZ-OE1 3.49Å; K145-E169 IonicContact NZ-OE2 2.98Å; K145-E169 PolarHBondContact NZ-OE2 2.95Å
146	L	95.2	Very high	95.1	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	31%	0.307	C	S	.	.			trans	-111.4	148.8	-177.6	-56.4	174.7	0	0	0	111.1	L70 I72 L141 K143 D150 F151 Y170	L70-L146 HydrophobicContact CD2-CD1 4.05Å; I72-L146 HydrophobicContact CD1-CD1 3.76Å; I72-L146 HydrophobicContact CG1-CD1 4.18Å; L141-L146 HydrophobicContact CD2-CD2 3.57Å; L141-L146 HydrophobicContact CG-CD2 4.26Å; K143-L146 HydrophobicContact CB-CD2 3.69Å; K143-L146 HydrophobicContact CD-CD2 4Å; K143-L146 HydrophobicContact CG-CD2 4.48Å; L146-D150 HydrophobicContact CB-CB 4.29Å; L146-D150 HydrophobicContact CD2-CB 4.13Å; L146-F151 HydrophobicContact CB-CD1 4.26Å; L146-F151 HydrophobicContact CB-CE1 3.5Å; L146-F151 VanDerWaalsContact CB-CE1 3.5Å; L146-F151 HydrophobicContact CB-CZ 4.41Å; L146-F151 HydrophobicContact CD1-CE1 3.7Å; L146-F151 HydrophobicContact CD1-CZ 4.38Å; L146-F151 HydrophobicContact CG-CE1 4.25Å; L146-Y170 HydrophobicContact CB-CE1 4.4Å; L146-Y170 PolarHBondContact N-OH 3.43Å
147	G	93.2	Very high	95.2	Very high	29 Å²	29	62.1 Å²	62.1	30%	0.299	31%	0.305	S	S	.	.			trans	-120.7	-178.7	174.6	0	0	0	0	0	112.9	E149 D150 F151	G147-E149 VanDerWaalsContact C-N 3.29Å; G147-E149 PolarHBondContact O-N 3.08Å; G147-D150 PolarHBondContact N-OD2 2.8Å; G147-D150 WeakPolarHBondContact O-CB 3.47Å; G147-D150 PolarHBondContact O-N 2.87Å; G147-F151 WeakPolarHBondContact O-CD1 3.11Å; G147-F151 PolarHBondContact O-N 3.38Å
148	A	95.6	Very high	95.3	Very high	39 Å²	39	59.2 Å²	59.2	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-55.7	-38.6	-177.7	0	0	0	0	0	114.1	D150 F151 R152 I173 L177	A148-D150 VanDerWaalsContact C-N 3.27Å; A148-D150 PolarHBondContact O-N 3.35Å; A148-F151 PolarHBondContact O-N 3.49Å; A148-F151 VanDerWaalsContact O-N 3.09Å; A148-R152 PolarHBondContact O-N 2.78Å; A148-R152 VanDerWaalsContact O-N 3.1Å; A148-I173 HydrophobicContact CB-CG2 4.06Å; A148-L177 HydrophobicContact CB-CD1 4.33Å; A148-L177 WeakPolarHBondContact O-CD1 3.38Å
149	E	95.7	Very high	95.3	Very high	126 Å²	126	58.6 Å²	58.6	59%	0.589	28%	0.281	S	S	*	.	H	α-helix	trans	-68	-26.5	178.9	-68.4	-53.9	127.3	0	0	113.2	G147 F151 R152	G147-E149 VanDerWaalsContact C-N 3.29Å; G147-E149 PolarHBondContact O-N 3.08Å; E149-F151 VanDerWaalsContact C-N 3.27Å; E149-F151 PolarHBondContact O-N 3.17Å; E149-R152 IonicContact OE1-CZ 2.74Å; E149-R152 IonicContact OE1-NE 3.71Å; E149-R152 PolarHBondContact OE1-NE 2.76Å; E149-R152 VanDerWaalsContact OE1-NE 3.15Å; E149-R152 IonicContact OE1-NH2 3.62Å; E149-R152 PolarHBondContact OE1-NH2 3.14Å; E149-R152 IonicContact OE2-NE 3.64Å; E149-R152 PolarHBondContact OE2-NE 3.08Å
150	D	95.9	Very high	95.3	Very high	27 Å²	27	51.4 Å²	51.4	14%	0.144	26%	0.255	C	S	.	.	H	α-helix	trans	-69.9	-30	173.7	-63.7	-59.4	0	0	0	111.2	K143 L146 G147 A148 F154	K143-D150 VanDerWaalsContact NZ-CG 3.33Å; K143-D150 IonicContact NZ-OD1 3.54Å; K143-D150 PolarHBondContact NZ-OD1 3.02Å; K143-D150 IonicContact NZ-OD2 2.83Å; K143-D150 PolarHBondContact NZ-OD2 3.43Å; L146-D150 HydrophobicContact CB-CB 4.29Å; L146-D150 HydrophobicContact CD2-CB 4.13Å; G147-D150 PolarHBondContact N-OD2 2.8Å; G147-D150 WeakPolarHBondContact O-CB 3.47Å; G147-D150 PolarHBondContact O-N 2.87Å; A148-D150 VanDerWaalsContact C-N 3.27Å; A148-D150 PolarHBondContact O-N 3.35Å; D150-F154 WeakPolarHBondContact O-CD2 3.33Å; D150-F154 WeakPolarHBondContact O-CE2 3.36Å
151	F	97.6	Very high	95.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-87	-30.9	-173.3	-77.9	41.2	0	0	0	112.4	L70 I72 L146 G147 A148 E149 K153 F154 V157 Y170 I173 C174 L177	L70-F151 HydrophobicContact CD2-CD1 4.47Å; L70-F151 HydrophobicContact CD2-CE1 4.26Å; I72-F151 HydrophobicContact CD1-CZ 4.1Å; L146-F151 HydrophobicContact CB-CD1 4.26Å; L146-F151 HydrophobicContact CB-CE1 3.5Å; L146-F151 VanDerWaalsContact CB-CE1 3.5Å; L146-F151 HydrophobicContact CB-CZ 4.41Å; L146-F151 HydrophobicContact CD1-CE1 3.7Å; L146-F151 HydrophobicContact CD1-CZ 4.38Å; L146-F151 HydrophobicContact CG-CE1 4.25Å; G147-F151 WeakPolarHBondContact O-CD1 3.11Å; G147-F151 PolarHBondContact O-N 3.38Å; A148-F151 PolarHBondContact O-N 3.49Å; A148-F151 VanDerWaalsContact O-N 3.09Å; E149-F151 VanDerWaalsContact C-N 3.27Å; E149-F151 PolarHBondContact O-N 3.17Å; F151-K153 PolarHBondContact O-N 3.23Å; F151-F154 PolarHBondContact O-N 3.37Å; F151-V157 HydrophobicContact CD2-CG2 3.94Å; F151-V157 HydrophobicContact CE2-CG1 3.98Å; F151-V157 HydrophobicContact CE2-CG2 4.21Å; F151-V157 HydrophobicContact CG-CG2 4.44Å; F151-V157 HydrophobicContact CZ-CG1 4.33Å; F151-Y170 HydrophobicContact CE2-CD1 4.48Å; F151-Y170 HydrophobicContact CE2-CG 4.11Å; F151-Y170 AromaticContact CZ-CD1 3.9Å; F151-Y170 HydrophobicContact CZ-CD1 3.9Å; F151-Y170 AromaticContact CZ-CD2 3.83Å; F151-Y170 HydrophobicContact CZ-CD2 3.83Å; F151-Y170 HydrophobicContact CZ-CE1 4.26Å; F151-Y170 HydrophobicContact CZ-CE2 4.21Å; F151-Y170 AromaticContact CZ-CG 3.66Å; F151-Y170 HydrophobicContact CZ-CG 3.66Å; F151-I173 HydrophobicContact CB-CG2 4.04Å; F151-I173 HydrophobicContact CD2-CB 4.35Å; F151-I173 HydrophobicContact CD2-CG2 3.64Å; F151-I173 HydrophobicContact CE2-CG2 4.24Å; F151-I173 HydrophobicContact CG-CG2 3.86Å; F151-C174 VanDerWaalsContact CD2-SG 3.52Å; F151-C174 VanDerWaalsContact CE2-SG 3.59Å; F151-L177 HydrophobicContact CB-CD1 3.76Å
152	R	96.3	Very high	94.9	Very high	147 Å²	147	52.1 Å²	52.1	56%	0.555	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-30.6	-171.3	-173.3	-176.1	-68.4	-78.4	0.6	115	A148 E149	A148-R152 PolarHBondContact O-N 2.78Å; A148-R152 VanDerWaalsContact O-N 3.1Å; E149-R152 IonicContact OE1-CZ 2.74Å; E149-R152 IonicContact OE1-NE 3.71Å; E149-R152 PolarHBondContact OE1-NE 2.76Å; E149-R152 VanDerWaalsContact OE1-NE 3.15Å; E149-R152 IonicContact OE1-NH2 3.62Å; E149-R152 PolarHBondContact OE1-NH2 3.14Å; E149-R152 IonicContact OE2-NE 3.64Å; E149-R152 PolarHBondContact OE2-NE 3.08Å
153	K	95.8	Very high	95	Very high	122 Å²	122	50.3 Å²	50.3	53%	0.53	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.9	-177.7	68.6	-176.4	-179.4	-174	0	114.4	F151	F151-K153 PolarHBondContact O-N 3.23Å
154	F	98.2	Very high	95.1	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.035	24%	0.237	C	C	.	.			trans	-99.8	148.5	-177.4	-59.4	-69.2	0	0	0	110.5	D68 L70 T94 D150 F151 V157 V179	D68-F154 HydrophobicContact CB-CD1 4.21Å; L70-F154 HydrophobicContact CB-CB 4.45Å; L70-F154 HydrophobicContact CB-CD1 3.93Å; L70-F154 HydrophobicContact CB-CD2 3.7Å; L70-F154 HydrophobicContact CB-CE1 4Å; L70-F154 HydrophobicContact CB-CE2 3.75Å; L70-F154 HydrophobicContact CB-CG 3.77Å; L70-F154 HydrophobicContact CB-CZ 3.89Å; L70-F154 HydrophobicContact CD1-CE2 4.03Å; L70-F154 HydrophobicContact CD1-CZ 3.94Å; L70-F154 HydrophobicContact CD2-CD2 4.02Å; L70-F154 HydrophobicContact CD2-CE2 3.83Å; L70-F154 HydrophobicContact CG-CD2 4.37Å; L70-F154 HydrophobicContact CG-CE2 4.08Å; L70-F154 HydrophobicContact CG-CZ 4.33Å; T94-F154 HydrophobicContact CG2-CE1 4.49Å; T94-F154 HydrophobicContact CG2-CZ 3.98Å; T94-F154 WeakPolarHBondContact OG1-CE1 3.37Å; D150-F154 WeakPolarHBondContact O-CD2 3.33Å; D150-F154 WeakPolarHBondContact O-CE2 3.36Å; F151-F154 PolarHBondContact O-N 3.37Å; F154-V157 HydrophobicContact CB-CG2 4.34Å; F154-V179 WeakPolarHBondContact O-CG2 3.32Å
155	S	98.1	Very high	95.5	Very high	45 Å²	45	43.2 Å²	43.2	32%	0.315	23%	0.225	S	C	.	.	S	Bend	trans	-93.8	-29.9	173	-66.3	0	0	0	0	111.9	D68 K180	D68-S155 PolarHBondContact O-N 3.38Å; S155-K180 WeakPolarHBondContact O-CD 3.49Å; S155-K180 PolarHBondContact O-N 3.32Å
156	V	98.7	Very high	95.7	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.4	177.6	-168.6	0	0	0	0	109.3	T67 I69 L70 K180 V405 A408	T67-V156 HydrophobicContact CG2-CG2 4.26Å; I69-V156 WeakPolarHBondContact CA-O 3.48Å; I69-V156 HydrophobicContact CG1-CB 4.25Å; I69-V156 HydrophobicContact CG2-CB 4.47Å; L70-V156 PolarHBondContact N-O 3.49Å; V156-K180 CarbonylContact C-O 3.5Å; V156-K180 WeakPolarHBondContact CA-O 3.12Å; V156-K180 HydrophobicContact CG1-CB 4.29Å; V156-K180 HydrophobicContact CG2-CB 4.24Å; V156-K180 HydrophobicContact CG2-CD 4.38Å; V156-V405 HydrophobicContact CG1-CG1 4.08Å; V156-V405 HydrophobicContact CG1-CG2 4.24Å; V156-A408 HydrophobicContact CG1-CB 4.45Å; V156-A408 HydrophobicContact CG2-CB 4.02Å
157	V	98.8	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.7	171.9	173.5	0	0	0	0	108.6	L70 I72 F151 F154 V179 K180 F181 V182	L70-V157 HydrophobicContact CB-CG2 4.15Å; L70-V157 HydrophobicContact CD2-CG1 4.27Å; L70-V157 HydrophobicContact CD2-CG2 4.22Å; I72-V157 HydrophobicContact CD1-CG1 3.87Å; F151-V157 HydrophobicContact CD2-CG2 3.94Å; F151-V157 HydrophobicContact CE2-CG1 3.98Å; F151-V157 HydrophobicContact CE2-CG2 4.21Å; F151-V157 HydrophobicContact CG-CG2 4.44Å; F151-V157 HydrophobicContact CZ-CG1 4.33Å; F154-V157 HydrophobicContact CB-CG2 4.34Å; V157-V179 HydrophobicContact CB-CG1 4.3Å; V157-V179 HydrophobicContact CG2-CG1 3.64Å; V157-K180 PolarHBondContact N-O 2.91Å; V157-F181 HydrophobicContact CB-CD2 4.18Å; V157-F181 HydrophobicContact CG1-CD2 4.09Å; V157-F181 HydrophobicContact CG1-CE2 4.11Å; V157-F181 WeakPolarHBondContact O-CA 3.28Å; V157-V182 PolarHBondContact O-N 2.88Å
158	V	98.9	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.7	172.3	-173	0	0	0	0	108.8	I69 L70 V71 I72 V81 I85 V182 T184 V405	I69-V158 HydrophobicContact CG2-CG2 4.49Å; L70-V158 PolarHBondContact O-N 2.68Å; V71-V158 HydrophobicContact CG1-CB 4.49Å; V71-V158 HydrophobicContact CG2-CB 4.35Å; V71-V158 HydrophobicContact CG2-CG2 4.38Å; I72-V158 PolarHBondContact N-O 2.96Å; V81-V158 HydrophobicContact CG1-CG1 4.05Å; V81-V158 HydrophobicContact CG1-CG2 4.37Å; I85-V158 HydrophobicContact CD1-CG2 4.41Å; V158-V182 CarbonylContact C-O 3.5Å; V158-V182 VanDerWaalsContact CA-O 3.31Å; V158-V182 WeakPolarHBondContact CA-O 3.4Å; V158-V182 HydrophobicContact CG2-CB 4.46Å; V158-T184 HydrophobicContact CG1-CG2 4.44Å; V158-V405 HydrophobicContact CG2-CG2 3.41Å; V158-V405 VanDerWaalsContact CG2-CG2 3.41Å
159	L	98.6	Very high	96.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.6	170.4	-179.9	60.8	0	0	0	109.8	I72 L166 C167 Y170 F181 V182 V183 T184	I72-L159 HydrophobicContact CB-CD1 3.93Å; I72-L159 HydrophobicContact CD1-CD1 4.44Å; I72-L159 HydrophobicContact CG2-CD1 3.79Å; L159-L166 HydrophobicContact CD1-CD2 4.07Å; L159-L166 HydrophobicContact CD2-CD2 4.45Å; L159-L166 HydrophobicContact CD2-CG 4.32Å; L159-C167 HydrophobicContact CD2-CB 4.36Å; L159-Y170 HydrophobicContact CD1-CD2 4.23Å; L159-Y170 HydrophobicContact CD1-CE2 4.49Å; L159-Y170 HydrophobicContact CD2-CD2 4.19Å; L159-F181 HydrophobicContact CB-CE2 3.89Å; L159-F181 HydrophobicContact CB-CZ 3.97Å; L159-F181 HydrophobicContact CD2-CZ 3.97Å; L159-V182 PolarHBondContact N-O 3.02Å; L159-V183 HydrophobicContact CB-CG2 4.4Å; L159-V183 WeakPolarHBondContact O-CA 3.47Å; L159-T184 PolarHBondContact O-N 3.02Å
160	S	98.1	Very high	96.2	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.8	174.9	-165.1	0	0	0	0	110.7	I72 G73 L77 G78 G162 T184	I72-S160 WeakPolarHBondContact O-CB 3.47Å; I72-S160 PolarHBondContact O-N 2.72Å; G73-S160 WeakPolarHBondContact O-CB 3.27Å; L77-S160 WeakPolarHBondContact CG-OG 3.46Å; G78-S160 PolarHBondContact N-OG 2.98Å; S160-G162 PolarHBondContact O-N 3.45Å; S160-G162 VanDerWaalsContact O-N 3.09Å; S160-T184 CarbonylContact C-O 3.29Å; S160-T184 WeakPolarHBondContact CA-O 3.4Å
161	Q	94.8	Very high	96.3	Very high	59 Å²	59	33.5 Å²	33.5	28%	0.276	17%	0.169	S	C	.	.	S	Bend	trans	54.5	28.2	175.8	-58.7	-73.7	56.7	0	0	114.7	L77 T184 S185 T186	L77-Q161 HydrophobicContact CD2-CG 4.34Å; Q161-T184 PolarHBondContact N-O 3.19Å; Q161-S185 VanDerWaalsContact OE1-CB 3.31Å; Q161-T186 PolarHBondContact NE2-O 3.07Å; Q161-T186 PolarHBondContact OE1-O 2.84Å
162	G	92.1	Very high	96.3	Very high	13 Å²	13	36.8 Å²	36.8	13%	0.134	19%	0.187	C	C	.	.			trans	-72.2	147.1	177.1	0	0	0	0	0	113.3	S160	S160-G162 PolarHBondContact O-N 3.45Å; S160-G162 VanDerWaalsContact O-N 3.09Å
163	S	90.9	Very high	96.4	Very high	54 Å²	54	31 Å²	31	38%	0.378	17%	0.167	S	C	.	.			trans	-68	157.6	168.7	66.8	0	0	0	0	110.9	D165 L166 C167	S163-D165 PolarHBondContact O-N 3.44Å; S163-L166 WeakPolarHBondContact O-CB 3.36Å; S163-L166 PolarHBondContact O-N 2.97Å; S163-L166 VanDerWaalsContact O-N 3.08Å; S163-L166 WeakPolarHBondContact OG-CB 3.37Å; S163-L166 PolarHBondContact OG-N 2.9Å; S163-C167 PolarHBondContact O-N 2.87Å; S163-C167 PolarHBondContact O-SG 3.43Å
164	E	91.5	Very high	96.5	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-36.5	-179.6	-69.7	-59.3	152.2	0	0	112.7	L166 C167 V168 K192 Y301 K329	E164-L166 VanDerWaalsContact C-N 3.33Å; E164-L166 PolarHBondContact O-N 3.1Å; E164-C167 PolarHBondContact O-N 3.33Å; E164-V168 WeakPolarHBondContact O-CG2 3.45Å; E164-V168 PolarHBondContact O-N 3.21Å; E164-V168 VanDerWaalsContact O-N 3.09Å; E164-K192 IonicContact OE1-NZ 3.11Å; E164-K192 PolarHBondContact OE1-NZ 2.8Å; E164-Y301 PolarHBondContact OE2-OH 3.11Å; E164-K329 HydrophobicContact CB-CD 4.02Å; E164-K329 HydrophobicContact CG-CD 3.84Å
165	D	91.6	Very high	96.5	Very high	86 Å²	86	27.5 Å²	27.5	46%	0.46	15%	0.15	S	C	.	.	H	α-helix	trans	-66.1	-38.6	178	-56.5	-33.6	0	0	0	111.1	S163 V168 E169 K329 N336	S163-D165 PolarHBondContact O-N 3.44Å; D165-V168 PolarHBondContact O-N 2.78Å; D165-E169 PolarHBondContact O-N 2.99Å; D165-K329 IonicContact OD1-NZ 3.31Å; D165-N336 PolarHBondContact OD2-ND2 2.87Å
166	L	94.1	Very high	96.5	Very high	43 Å²	43	29.7 Å²	29.7	23%	0.225	17%	0.165	C	C	.	.	H	α-helix	trans	-70.4	-38.5	176.8	-166.2	66.8	0	0	0	111.8	L159 S163 E164 V168 E169 Y170	L159-L166 HydrophobicContact CD1-CD2 4.07Å; L159-L166 HydrophobicContact CD2-CD2 4.45Å; L159-L166 HydrophobicContact CD2-CG 4.32Å; S163-L166 WeakPolarHBondContact O-CB 3.36Å; S163-L166 PolarHBondContact O-N 2.97Å; S163-L166 VanDerWaalsContact O-N 3.08Å; S163-L166 WeakPolarHBondContact OG-CB 3.37Å; S163-L166 PolarHBondContact OG-N 2.9Å; E164-L166 VanDerWaalsContact C-N 3.33Å; E164-L166 PolarHBondContact O-N 3.1Å; L166-V168 VanDerWaalsContact C-N 3.29Å; L166-V168 PolarHBondContact O-N 3.13Å; L166-E169 PolarHBondContact O-N 3.43Å; L166-Y170 HydrophobicContact CD1-CD1 4.1Å; L166-Y170 HydrophobicContact CD1-CD2 4.1Å; L166-Y170 HydrophobicContact CD1-CE1 3.69Å; L166-Y170 HydrophobicContact CD1-CE2 3.67Å; L166-Y170 HydrophobicContact CD1-CG 4.31Å; L166-Y170 VanDerWaalsContact CD1-CZ 3.45Å; L166-Y170 HydrophobicContact CD2-CD2 4.37Å; L166-Y170 HydrophobicContact CD2-CE2 3.94Å; L166-Y170 HydrophobicContact CG-CD2 3.89Å; L166-Y170 HydrophobicContact CG-CE2 3.76Å; L166-Y170 HydrophobicContact CG-CG 4.33Å; L166-Y170 WeakPolarHBondContact O-CB 3.46Å; L166-Y170 PolarHBondContact O-N 3.35Å
167	C	97	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.1	-40.7	174.5	-64.6	0	0	0	0	111.7	L159 S163 E164 G171 Y301	L159-C167 HydrophobicContact CD2-CB 4.36Å; S163-C167 PolarHBondContact O-N 2.87Å; S163-C167 PolarHBondContact O-SG 3.43Å; E164-C167 PolarHBondContact O-N 3.33Å; C167-G171 WeakPolarHBondContact O-CA 3.44Å; C167-G171 PolarHBondContact O-N 3.03Å; C167-Y301 HydrophobicContact CB-CD1 3.98Å; C167-Y301 HydrophobicContact CB-CD2 4.18Å; C167-Y301 HydrophobicContact CB-CE1 3.41Å; C167-Y301 VanDerWaalsContact CB-CE1 3.41Å; C167-Y301 HydrophobicContact CB-CE2 3.64Å; C167-Y301 HydrophobicContact CB-CG 4.36Å; C167-Y301 WeakPolarHBondContact CB-OH 3.22Å
168	V	97.3	Very high	96.3	Very high	36 Å²	36	34.9 Å²	34.9	22%	0.218	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-49.3	174.1	172.3	0	0	0	0	110.9	E164 D165 L166 G171 N172 Y301 Q302	E164-V168 WeakPolarHBondContact O-CG2 3.45Å; E164-V168 PolarHBondContact O-N 3.21Å; E164-V168 VanDerWaalsContact O-N 3.09Å; D165-V168 PolarHBondContact O-N 2.78Å; L166-V168 VanDerWaalsContact C-N 3.29Å; L166-V168 PolarHBondContact O-N 3.13Å; V168-G171 PolarHBondContact O-N 2.76Å; V168-N172 WeakPolarHBondContact O-CB 3.49Å; V168-N172 PolarHBondContact O-N 3.44Å; V168-N172 PolarHBondContact O-ND2 2.71Å; V168-Y301 HydrophobicContact CG2-CD1 3.81Å; V168-Y301 HydrophobicContact CG2-CE1 4.06Å; V168-Q302 HydrophobicContact CG1-CB 4.27Å; V168-Q302 HydrophobicContact CG1-CG 4.44Å; V168-Q302 HydrophobicContact CG2-CB 4.37Å
169	E	97.4	Very high	96.3	Very high	70 Å²	70	35.4 Å²	35.4	33%	0.327	21%	0.21	S	C	.	.	H	α-helix	trans	-57.8	-53.7	-179.5	-175.9	174.5	-173.7	0	0	111.4	K145 D165 L166 N172 I173	K145-E169 WeakPolarHBondContact CE-OE1 3.28Å; K145-E169 IonicContact NZ-OE1 2.77Å; K145-E169 PolarHBondContact NZ-OE1 3.49Å; K145-E169 IonicContact NZ-OE2 2.98Å; K145-E169 PolarHBondContact NZ-OE2 2.95Å; D165-E169 PolarHBondContact O-N 2.99Å; L166-E169 PolarHBondContact O-N 3.43Å; E169-N172 PolarHBondContact O-N 3.01Å; E169-I173 HydrophobicContact CG-CD1 4.39Å; E169-I173 WeakPolarHBondContact O-CG1 3.14Å; E169-I173 PolarHBondContact O-N 2.81Å; E169-I173 VanDerWaalsContact O-N 3.12Å
170	Y	98.2	Very high	96.3	Very high	5 Å²	5	38 Å²	38	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-73.4	-32.5	-176.9	-70.1	-2.5	0	0	0	112.7	I72 L146 F151 L159 L166 I173 C174	I72-Y170 HydrophobicContact CD1-CD2 3.88Å; I72-Y170 HydrophobicContact CD1-CE2 3.82Å; L146-Y170 HydrophobicContact CB-CE1 4.4Å; L146-Y170 PolarHBondContact N-OH 3.43Å; F151-Y170 HydrophobicContact CE2-CD1 4.48Å; F151-Y170 HydrophobicContact CE2-CG 4.11Å; F151-Y170 AromaticContact CZ-CD1 3.9Å; F151-Y170 HydrophobicContact CZ-CD1 3.9Å; F151-Y170 AromaticContact CZ-CD2 3.83Å; F151-Y170 HydrophobicContact CZ-CD2 3.83Å; F151-Y170 HydrophobicContact CZ-CE1 4.26Å; F151-Y170 HydrophobicContact CZ-CE2 4.21Å; F151-Y170 AromaticContact CZ-CG 3.66Å; F151-Y170 HydrophobicContact CZ-CG 3.66Å; L159-Y170 HydrophobicContact CD1-CD2 4.23Å; L159-Y170 HydrophobicContact CD1-CE2 4.49Å; L159-Y170 HydrophobicContact CD2-CD2 4.19Å; L166-Y170 HydrophobicContact CD1-CD1 4.1Å; L166-Y170 HydrophobicContact CD1-CD2 4.1Å; L166-Y170 HydrophobicContact CD1-CE1 3.69Å; L166-Y170 HydrophobicContact CD1-CE2 3.67Å; L166-Y170 HydrophobicContact CD1-CG 4.31Å; L166-Y170 VanDerWaalsContact CD1-CZ 3.45Å; L166-Y170 HydrophobicContact CD2-CD2 4.37Å; L166-Y170 HydrophobicContact CD2-CE2 3.94Å; L166-Y170 HydrophobicContact CG-CD2 3.89Å; L166-Y170 HydrophobicContact CG-CE2 3.76Å; L166-Y170 HydrophobicContact CG-CG 4.33Å; L166-Y170 WeakPolarHBondContact O-CB 3.46Å; L166-Y170 PolarHBondContact O-N 3.35Å; Y170-I173 HydrophobicContact CD1-CD1 4.2Å; Y170-I173 PolarHBondContact O-N 3.15Å; Y170-C174 WeakPolarHBondContact O-CB 3.1Å; Y170-C174 PolarHBondContact O-N 3.44Å; Y170-C174 PolarHBondContact O-SG 2.96Å
171	G	98.2	Very high	96.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-42.9	172.5	0	0	0	0	0	112.2	C167 V168 C174 R175	C167-G171 WeakPolarHBondContact O-CA 3.44Å; C167-G171 PolarHBondContact O-N 3.03Å; V168-G171 PolarHBondContact O-N 2.76Å; G171-C174 PolarHBondContact O-N 3.26Å; G171-R175 WeakPolarHBondContact O-CB 3.22Å; G171-R175 PolarHBondContact O-N 3.35Å
172	N	98.3	Very high	96.5	Very high	70 Å²	70	35 Å²	35	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-64.6	-42.2	176	-73.1	-19.3	0	0	0	111.9	V168 E169 R175 S176	V168-N172 WeakPolarHBondContact O-CB 3.49Å; V168-N172 PolarHBondContact O-N 3.44Å; V168-N172 PolarHBondContact O-ND2 2.71Å; E169-N172 PolarHBondContact O-N 3.01Å; N172-R175 PolarHBondContact O-N 3.06Å; N172-S176 WeakPolarHBondContact O-CB 3.14Å; N172-S176 PolarHBondContact O-N 3.08Å
173	I	98.3	Very high	96.8	Very high	26 Å²	26	34.4 Å²	34.4	13%	0.133	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-51.6	174.3	-67.9	170.3	0	0	0	110.3	A148 F151 E169 Y170 R175 S176 L177	A148-I173 HydrophobicContact CB-CG2 4.06Å; F151-I173 HydrophobicContact CB-CG2 4.04Å; F151-I173 HydrophobicContact CD2-CB 4.35Å; F151-I173 HydrophobicContact CD2-CG2 3.64Å; F151-I173 HydrophobicContact CE2-CG2 4.24Å; F151-I173 HydrophobicContact CG-CG2 3.86Å; E169-I173 HydrophobicContact CG-CD1 4.39Å; E169-I173 WeakPolarHBondContact O-CG1 3.14Å; E169-I173 PolarHBondContact O-N 2.81Å; E169-I173 VanDerWaalsContact O-N 3.12Å; Y170-I173 HydrophobicContact CD1-CD1 4.2Å; Y170-I173 PolarHBondContact O-N 3.15Å; I173-R175 VanDerWaalsContact C-N 3.34Å; I173-R175 PolarHBondContact O-N 2.87Å; I173-S176 PolarHBondContact O-N 3.25Å; I173-S176 PolarHBondContact O-OG 2.83Å; I173-L177 HydrophobicContact CG2-CD1 3.92Å; I173-L177 WeakPolarHBondContact O-CG 3.32Å; I173-L177 PolarHBondContact O-N 3.35Å
174	C	98.4	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.9	-48.1	-180	-69.9	0	0	0	0	111.6	F151 Y170 G171 S176 L177 G178 V179 F181	F151-C174 VanDerWaalsContact CD2-SG 3.52Å; F151-C174 VanDerWaalsContact CE2-SG 3.59Å; Y170-C174 WeakPolarHBondContact O-CB 3.1Å; Y170-C174 PolarHBondContact O-N 3.44Å; Y170-C174 PolarHBondContact O-SG 2.96Å; G171-C174 PolarHBondContact O-N 3.26Å; C174-S176 VanDerWaalsContact C-N 3.32Å; C174-S176 PolarHBondContact O-N 2.96Å; C174-L177 CarbonylContact O-C 3.59Å; C174-L177 PolarHBondContact O-N 3.39Å; C174-G178 PolarHBondContact O-N 3.05Å; C174-V179 HydrophobicContact CB-CB 4.08Å; C174-V179 HydrophobicContact CB-CG1 4.38Å; C174-V179 WeakPolarHBondContact CB-O 3.2Å; C174-V179 PolarHBondContact O-N 3.04Å; C174-F181 HydrophobicContact CB-CB 3.89Å; C174-F181 HydrophobicContact CB-CD2 4.36Å; C174-F181 HydrophobicContact CB-CG 4.25Å; C174-F181 VanDerWaalsContact SG-CD2 3.53Å
175	R	97.3	Very high	97.5	Very high	56 Å²	56	31.6 Å²	31.6	21%	0.211	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-41.6	178.9	-176.6	62.8	75.5	136.1	10.2	112	G171 N172 I173 L177 G178 D196 G198 F298 L299 P300	G171-R175 WeakPolarHBondContact O-CB 3.22Å; G171-R175 PolarHBondContact O-N 3.35Å; N172-R175 PolarHBondContact O-N 3.06Å; I173-R175 VanDerWaalsContact C-N 3.34Å; I173-R175 PolarHBondContact O-N 2.87Å; R175-L177 PolarHBondContact O-N 3.24Å; R175-G178 PolarHBondContact O-N 3.14Å; R175-D196 IonicContact CZ-OD1 2.62Å; R175-D196 IonicContact CZ-OD2 3.36Å; R175-D196 VanDerWaalsContact CZ-OD2 3.24Å; R175-D196 IonicContact NE-OD1 3.76Å; R175-D196 PolarHBondContact NE-OD1 3.1Å; R175-D196 IonicContact NE-OD2 2.88Å; R175-D196 PolarHBondContact NE-OD2 2.72Å; R175-D196 IonicContact NH1-OD1 3.04Å; R175-D196 IonicContact NH2-OD1 2.7Å; R175-D196 PolarHBondContact NH2-OD1 3.21Å; R175-D196 IonicContact NH2-OD2 3.03Å; R175-D196 PolarHBondContact NH2-OD2 3.06Å; R175-G198 VanDerWaalsContact NH1-C 3.35Å; R175-F298 PolarHBondContact NH1-O 2.92Å; R175-F298 VanDerWaalsContact NH1-O 3.14Å; R175-F298 PolarHBondContact NH2-O 3.22Å; R175-L299 PolarHBondContact NH2-O 3.22Å; R175-P300 HydrophobicContact CG-CG 4.42Å
176	S	97.3	Very high	97.8	Very high	91 Å²	91	28.1 Å²	28.1	64%	0.636	16%	0.164	S	C	*	.	H	α-helix	trans	-65.1	-22.9	177.9	76.2	0	0	0	0	114	N172 I173 C174	N172-S176 WeakPolarHBondContact O-CB 3.14Å; N172-S176 PolarHBondContact O-N 3.08Å; I173-S176 PolarHBondContact O-N 3.25Å; I173-S176 PolarHBondContact O-OG 2.83Å; C174-S176 VanDerWaalsContact C-N 3.32Å; C174-S176 PolarHBondContact O-N 2.96Å
177	L	97.7	Very high	98	Very high	47 Å²	47	26.6 Å²	26.6	25%	0.246	16%	0.157	C	C	.	.	H	α-helix	trans	-103.7	-3.6	-177.7	-65	173.4	0	0	0	113.5	A148 F151 I173 C174 R175 V179	A148-L177 HydrophobicContact CB-CD1 4.33Å; A148-L177 WeakPolarHBondContact O-CD1 3.38Å; F151-L177 HydrophobicContact CB-CD1 3.76Å; I173-L177 HydrophobicContact CG2-CD1 3.92Å; I173-L177 WeakPolarHBondContact O-CG 3.32Å; I173-L177 PolarHBondContact O-N 3.35Å; C174-L177 CarbonylContact O-C 3.59Å; C174-L177 PolarHBondContact O-N 3.39Å; R175-L177 PolarHBondContact O-N 3.24Å; L177-V179 HydrophobicContact CB-CG2 3.65Å; L177-V179 HydrophobicContact CD1-CG2 4.5Å; L177-V179 PolarHBondContact O-N 2.98Å
178	G	96.8	Very high	98	Very high	62 Å²	62	26.7 Å²	26.7	64%	0.639	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	20	-172.7	0	0	0	0	0	113.9	C174 R175	C174-G178 PolarHBondContact O-N 3.05Å; R175-G178 PolarHBondContact O-N 3.14Å
179	V	98.3	Very high	98	Very high	11 Å²	11	25 Å²	25	7%	0.067	15%	0.148	C	C	.	.			trans	-84.1	134.1	178.3	177	0	0	0	0	108.3	F154 V157 C174 L177	F154-V179 WeakPolarHBondContact O-CG2 3.32Å; V157-V179 HydrophobicContact CB-CG1 4.3Å; V157-V179 HydrophobicContact CG2-CG1 3.64Å; C174-V179 HydrophobicContact CB-CB 4.08Å; C174-V179 HydrophobicContact CB-CG1 4.38Å; C174-V179 WeakPolarHBondContact CB-O 3.2Å; C174-V179 PolarHBondContact O-N 3.04Å; L177-V179 HydrophobicContact CB-CG2 3.65Å; L177-V179 HydrophobicContact CD1-CG2 4.5Å; L177-V179 PolarHBondContact O-N 2.98Å
180	K	98.6	Very high	98.1	Very high	56 Å²	56	21.6 Å²	21.6	24%	0.243	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	139.2	176.1	-62.6	90.4	174.3	173.9	0	109.5	S155 V156 V157 F197 A408	S155-K180 WeakPolarHBondContact O-CD 3.49Å; S155-K180 PolarHBondContact O-N 3.32Å; V156-K180 CarbonylContact C-O 3.5Å; V156-K180 WeakPolarHBondContact CA-O 3.12Å; V156-K180 HydrophobicContact CG1-CB 4.29Å; V156-K180 HydrophobicContact CG2-CB 4.24Å; V156-K180 HydrophobicContact CG2-CD 4.38Å; V157-K180 PolarHBondContact N-O 2.91Å; K180-F197 HydrophobicContact CB-CD1 3.78Å; K180-F197 HydrophobicContact CB-CE1 4.46Å; K180-F197 HydrophobicContact CB-CG 4.42Å; K180-F197 HydrophobicContact CG-CB 3.97Å; K180-F197 HydrophobicContact CG-CD1 4.04Å; K180-F197 HydrophobicContact CG-CG 4.18Å; K180-A408 HydrophobicContact CB-CB 4.07Å; K180-A408 HydrophobicContact CG-CB 4.11Å
181	F	98.7	Very high	98.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.9	-174.6	-170.5	-127	0	0	0	111.2	V157 L159 C174 V183 F194 D196 Y301	V157-F181 HydrophobicContact CB-CD2 4.18Å; V157-F181 HydrophobicContact CG1-CD2 4.09Å; V157-F181 HydrophobicContact CG1-CE2 4.11Å; V157-F181 WeakPolarHBondContact O-CA 3.28Å; L159-F181 HydrophobicContact CB-CE2 3.89Å; L159-F181 HydrophobicContact CB-CZ 3.97Å; L159-F181 HydrophobicContact CD2-CZ 3.97Å; C174-F181 HydrophobicContact CB-CB 3.89Å; C174-F181 HydrophobicContact CB-CD2 4.36Å; C174-F181 HydrophobicContact CB-CG 4.25Å; C174-F181 VanDerWaalsContact SG-CD2 3.53Å; F181-V183 HydrophobicContact CD1-CG2 3.91Å; F181-V183 HydrophobicContact CE1-CG2 3.24Å; F181-V183 HydrophobicContact CE2-CG2 4.32Å; F181-V183 HydrophobicContact CZ-CG2 3.49Å; F181-V183 VanDerWaalsContact CZ-CG2 3.49Å; F181-F194 HydrophobicContact CD1-CE1 4.45Å; F181-D196 HydrophobicContact CB-CB 4.38Å; F181-D196 PolarHBondContact N-O 2.79Å; F181-D196 PolarHBondContact O-N 2.91Å; F181-Y301 HydrophobicContact CE1-CD2 4.29Å
182	V	98.9	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.4	174.6	178.6	0	0	0	0	108.4	V157 V158 L159 V193 F194 F197 A401 V405	V157-V182 PolarHBondContact O-N 2.88Å; V158-V182 CarbonylContact C-O 3.5Å; V158-V182 VanDerWaalsContact CA-O 3.31Å; V158-V182 WeakPolarHBondContact CA-O 3.4Å; V158-V182 HydrophobicContact CG2-CB 4.46Å; L159-V182 PolarHBondContact N-O 3.02Å; V182-V193 HydrophobicContact CG1-CG1 4.42Å; V182-F194 WeakPolarHBondContact CA-O 3.45Å; V182-F197 HydrophobicContact CG2-CE1 3.83Å; V182-F197 HydrophobicContact CG2-CZ 4.4Å; V182-A401 HydrophobicContact CG1-CB 4.24Å; V182-V405 HydrophobicContact CB-CG2 4.25Å; V182-V405 HydrophobicContact CG1-CG2 4.44Å; V182-V405 HydrophobicContact CG2-CG2 3.92Å
183	V	98.8	Very high	98.1	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.2	173.4	179.2	0	0	0	0	108.8	L159 F181 V193 F194 Y301	L159-V183 HydrophobicContact CB-CG2 4.4Å; L159-V183 WeakPolarHBondContact O-CA 3.47Å; F181-V183 HydrophobicContact CD1-CG2 3.91Å; F181-V183 HydrophobicContact CE1-CG2 3.24Å; F181-V183 HydrophobicContact CE2-CG2 4.32Å; F181-V183 HydrophobicContact CZ-CG2 3.49Å; F181-V183 VanDerWaalsContact CZ-CG2 3.49Å; V183-V193 CarbonylContact O-C 3.58Å; V183-V193 VanDerWaalsContact O-CA 3.3Å; V183-V193 WeakPolarHBondContact O-CA 3.41Å; V183-F194 HydrophobicContact CB-CB 4.21Å; V183-F194 HydrophobicContact CB-CD1 4.46Å; V183-F194 HydrophobicContact CG2-CD1 4.21Å; V183-F194 PolarHBondContact N-O 3.19Å; V183-F194 PolarHBondContact O-N 2.99Å; V183-Y301 HydrophobicContact CB-CE2 4.38Å; V183-Y301 HydrophobicContact CG2-CD2 4.14Å; V183-Y301 HydrophobicContact CG2-CE2 3.92Å
184	T	98.8	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.5	174	-173.8	0	0	0	0	111.4	L77 V81 V158 L159 S160 Q161 K192 V397 A401	L77-T184 HydrophobicContact CD2-CG2 3.85Å; L77-T184 HydrophobicContact CG-CG2 3.97Å; V81-T184 HydrophobicContact CG2-CG2 4.25Å; V158-T184 HydrophobicContact CG1-CG2 4.44Å; L159-T184 PolarHBondContact O-N 3.02Å; S160-T184 CarbonylContact C-O 3.29Å; S160-T184 WeakPolarHBondContact CA-O 3.4Å; Q161-T184 PolarHBondContact N-O 3.19Å; T184-K192 WeakPolarHBondContact CA-O 3.19Å; T184-K192 PolarHBondContact OG1-O 3.43Å; T184-V397 VanDerWaalsContact OG1-CG1 3.24Å; T184-V397 WeakPolarHBondContact OG1-CG1 3.32Å; T184-A401 HydrophobicContact CG2-CB 4.27Å
185	S	98.3	Very high	98.1	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.028	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.2	176.8	-45.9	0	0	0	0	111.3	Q161 G191 K192	Q161-S185 VanDerWaalsContact OE1-CB 3.31Å; S185-G191 CarbonylContact O-C 3.46Å; S185-G191 VanDerWaalsContact O-CA 3.3Å; S185-G191 WeakPolarHBondContact O-CA 3.44Å; S185-K192 PolarHBondContact N-O 2.74Å; S185-K192 PolarHBondContact O-N 3.06Å; S185-K192 VanDerWaalsContact OG-CE 3.23Å; S185-K192 WeakPolarHBondContact OG-CE 3.18Å
186	T	98.1	Very high	98.2	Very high	12 Å²	12	14.3 Å²	14.3	7%	0.074	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.1	174.7	52.3	0	0	0	0	110.7	L77 Q161 F190 V393 V397	L77-T186 HydrophobicContact CD1-CG2 4.07Å; L77-T186 HydrophobicContact CD2-CG2 3.96Å; Q161-T186 PolarHBondContact NE2-O 3.07Å; Q161-T186 PolarHBondContact OE1-O 2.84Å; T186-F190 CarbonylContact C-O 3.33Å; T186-F190 VanDerWaalsContact CA-O 3.3Å; T186-F190 WeakPolarHBondContact CA-O 3.23Å; T186-V393 HydrophobicContact CG2-CG1 4.07Å; T186-V397 HydrophobicContact CG2-CB 3.95Å; T186-V397 HydrophobicContact CG2-CG1 4.04Å; T186-V397 HydrophobicContact CG2-CG2 3.99Å
187	C	97	Very high	98.3	Very high	11 Å²	11	10.5 Å²	10.5	7%	0.074	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	97.3	177.5	-65.7	0	0	0	0	108.6	L189 F190 F328 L331 F382 C386	C187-L189 PolarHBondContact O-N 3.11Å; C187-L189 VanDerWaalsContact O-N 3.1Å; C187-F190 PolarHBondContact N-O 3.27Å; C187-F190 WeakPolarHBondContact O-CB 3.38Å; C187-F190 PolarHBondContact O-N 2.89Å; C187-F328 VanDerWaalsContact SG-CE1 3.59Å; C187-L331 VanDerWaalsContact SG-CD2 3.54Å; C187-F382 HydrophobicContact CB-CE2 4.23Å; C187-F382 HydrophobicContact CB-CZ 3.95Å; C187-C386 HydrophobicContact CB-CB 4.03Å
188	G	97.2	Very high	98.3	Very high	2 Å²	2	9 Å²	9	2%	0.021	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-113.2	-175.7	0	0	0	0	0	112.9	F190 V385 G388 C390	G188-F190 VanDerWaalsContact C-N 3.33Å; G188-V385 VanDerWaalsContact CA-O 3.28Å; G188-V385 WeakPolarHBondContact CA-O 3.24Å; G188-G388 WeakPolarHBondContact CA-O 3.1Å; G188-G388 PolarHBondContact N-O 3.27Å; G188-C390 WeakPolarHBondContact O-CB 3.4Å
189	L	98.2	Very high	98.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5	179	-64.9	176.2	0	0	0	114.3	C187 C390 V393 D423 A424 C427 L428 I456 F457	C187-L189 PolarHBondContact O-N 3.11Å; C187-L189 VanDerWaalsContact O-N 3.1Å; L189-C390 HydrophobicContact CD2-CB 4.46Å; L189-V393 HydrophobicContact CD2-CG2 4.44Å; L189-D423 VanDerWaalsContact O-CA 3.32Å; L189-D423 WeakPolarHBondContact O-CA 3.47Å; L189-A424 PolarHBondContact O-N 2.81Å; L189-C427 HydrophobicContact CD1-CB 4.33Å; L189-C427 HydrophobicContact CD2-CB 4.32Å; L189-L428 HydrophobicContact CD1-CD1 4.01Å; L189-L428 HydrophobicContact CD1-CD2 3.64Å; L189-L428 HydrophobicContact CD1-CG 3.55Å; L189-I456 HydrophobicContact CD1-CG2 3.96Å; L189-I456 HydrophobicContact CD2-CG2 4.2Å; L189-I456 HydrophobicContact CG-CG2 3.82Å; L189-F457 HydrophobicContact CD1-CE1 4.49Å; L189-F457 HydrophobicContact CD2-CE1 4.4Å; L189-F457 HydrophobicContact CD2-CZ 3.85Å
190	F	98.6	Very high	98	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.6	-176.5	-59.7	-94.9	0	0	0	111.5	T186 C187 G188 I324 L378 I381 F382 V385 F422 D423 T425	T186-F190 CarbonylContact C-O 3.33Å; T186-F190 VanDerWaalsContact CA-O 3.3Å; T186-F190 WeakPolarHBondContact CA-O 3.23Å; C187-F190 PolarHBondContact N-O 3.27Å; C187-F190 WeakPolarHBondContact O-CB 3.38Å; C187-F190 PolarHBondContact O-N 2.89Å; G188-F190 VanDerWaalsContact C-N 3.33Å; F190-I324 HydrophobicContact CD1-CD1 4Å; F190-I324 HydrophobicContact CD1-CG1 4.17Å; F190-I324 HydrophobicContact CD1-CG2 4.38Å; F190-I324 HydrophobicContact CE1-CD1 4.28Å; F190-I324 HydrophobicContact CE1-CG1 4.33Å; F190-L378 HydrophobicContact CE1-CD1 4.04Å; F190-L378 HydrophobicContact CE1-CG 4.42Å; F190-L378 HydrophobicContact CZ-CD1 4.11Å; F190-I381 HydrophobicContact CE2-CG2 4.22Å; F190-I381 HydrophobicContact CZ-CG2 4.19Å; F190-F382 HydrophobicContact CB-CD2 4.05Å; F190-F382 HydrophobicContact CB-CE2 3.85Å; F190-F382 AromaticContact CD1-CD2 3.84Å; F190-F382 HydrophobicContact CD1-CD2 3.84Å; F190-F382 HydrophobicContact CD1-CE2 4.37Å; F190-F382 HydrophobicContact CD2-CB 4.48Å; F190-F382 AromaticContact CD2-CD2 3.55Å; F190-F382 HydrophobicContact CD2-CD2 3.55Å; F190-F382 HydrophobicContact CD2-CE2 4.15Å; F190-F382 HydrophobicContact CD2-CG 4.3Å; F190-F382 HydrophobicContact CE1-CD2 4.13Å; F190-F382 HydrophobicContact CE2-CB 3.99Å; F190-F382 AromaticContact CE2-CD2 3.88Å; F190-F382 HydrophobicContact CE2-CD2 3.88Å; F190-F382 HydrophobicContact CE2-CG 4.3Å; F190-F382 AromaticContact CG-CD2 3.53Å; F190-F382 HydrophobicContact CG-CD2 3.53Å; F190-F382 AromaticContact CG-CE2 3.88Å; F190-F382 HydrophobicContact CG-CE2 3.88Å; F190-F382 HydrophobicContact CZ-CB 4.09Å; F190-F382 HydrophobicContact CZ-CD2 4.14Å; F190-V385 HydrophobicContact CD2-CG2 4Å; F190-V385 HydrophobicContact CE2-CG2 3.74Å; F190-F422 CarbonylContact C-O 3.5Å; F190-F422 VanDerWaalsContact CA-O 3.31Å; F190-F422 WeakPolarHBondContact CA-O 3.34Å; F190-D423 HydrophobicContact CD1-CB 3.46Å; F190-D423 VanDerWaalsContact CD1-CB 3.46Å; F190-D423 HydrophobicContact CE1-CB 3.57Å; F190-D423 HydrophobicContact CG-CB 4.33Å; F190-D423 HydrophobicContact CZ-CB 4.49Å; F190-T425 HydrophobicContact CE1-CG2 3.98Å; F190-T425 HydrophobicContact CE2-CG2 4.11Å; F190-T425 HydrophobicContact CZ-CG2 3.46Å; F190-T425 VanDerWaalsContact CZ-CG2 3.46Å
191	G	98.2	Very high	98	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156	178.1	0	0	0	0	0	113.3	S185 Y421 F422	S185-G191 CarbonylContact O-C 3.46Å; S185-G191 VanDerWaalsContact O-CA 3.3Å; S185-G191 WeakPolarHBondContact O-CA 3.44Å; G191-Y421 WeakPolarHBondContact O-CA 3.39Å; G191-F422 PolarHBondContact N-O 2.91Å; G191-F422 PolarHBondContact O-N 2.68Å
192	K	98	Very high	97.9	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.009	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149	170.8	69.9	174	-178.2	166.6	0	112.7	E164 T184 S185 F328 W419 M420 Y421	E164-K192 IonicContact OE1-NZ 3.11Å; E164-K192 PolarHBondContact OE1-NZ 2.8Å; T184-K192 WeakPolarHBondContact CA-O 3.19Å; T184-K192 PolarHBondContact OG1-O 3.43Å; S185-K192 PolarHBondContact N-O 2.74Å; S185-K192 PolarHBondContact O-N 3.06Å; S185-K192 VanDerWaalsContact OG-CE 3.23Å; S185-K192 WeakPolarHBondContact OG-CE 3.18Å; K192-F328 HydrophobicContact CB-CE2 4.11Å; K192-F328 HydrophobicContact CB-CZ 4.21Å; K192-F328 HydrophobicContact CD-CB 4.37Å; K192-F328 HydrophobicContact CD-CD1 3.76Å; K192-F328 HydrophobicContact CD-CD2 4.06Å; K192-F328 HydrophobicContact CD-CE1 3.98Å; K192-F328 HydrophobicContact CD-CE2 4.26Å; K192-F328 HydrophobicContact CD-CG 3.8Å; K192-F328 HydrophobicContact CD-CZ 4.22Å; K192-F328 HydrophobicContact CG-CD1 4.32Å; K192-F328 HydrophobicContact CG-CE1 4.01Å; K192-F328 HydrophobicContact CG-CE2 4.22Å; K192-F328 HydrophobicContact CG-CZ 3.95Å; K192-W419 HydrophobicContact CD-CZ3 4.28Å; K192-M420 CarbonylContact C-O 3.55Å; K192-M420 WeakPolarHBondContact CA-O 3.4Å; K192-Y421 HydrophobicContact CB-CD1 3.65Å; K192-Y421 HydrophobicContact CB-CE1 3.48Å; K192-Y421 VanDerWaalsContact CB-CE1 3.48Å; K192-Y421 HydrophobicContact CD-CE1 4.06Å; K192-Y421 HydrophobicContact CG-CE1 4.37Å
193	V	98.8	Very high	97.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.7	165.5	-177.5	0	0	0	0	109	V182 V183 V397 F400 A401 L416 M420	V182-V193 HydrophobicContact CG1-CG1 4.42Å; V183-V193 CarbonylContact O-C 3.58Å; V183-V193 VanDerWaalsContact O-CA 3.3Å; V183-V193 WeakPolarHBondContact O-CA 3.41Å; V193-V397 HydrophobicContact CG2-CG1 3.82Å; V193-F400 HydrophobicContact CB-CD1 4.39Å; V193-F400 HydrophobicContact CG1-CD1 4.3Å; V193-F400 HydrophobicContact CG2-CD1 4.26Å; V193-A401 HydrophobicContact CG1-CB 4.17Å; V193-A401 HydrophobicContact CG2-CB 4.13Å; V193-L416 HydrophobicContact CB-CD2 4.09Å; V193-L416 HydrophobicContact CG1-CD2 3.93Å; V193-M420 HydrophobicContact CB-CB 4.36Å; V193-M420 HydrophobicContact CB-CE 4.02Å; V193-M420 HydrophobicContact CG2-CE 3.49Å; V193-M420 VanDerWaalsContact CG2-CE 3.49Å; V193-M420 PolarHBondContact N-O 3.17Å; V193-M420 PolarHBondContact O-N 3.41Å
194	F	98.8	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.1	171.9	167.1	-92	0	0	0	111.1	F181 V182 V183 D196 Y301 A304 Q418 W419	F181-F194 HydrophobicContact CD1-CE1 4.45Å; V182-F194 WeakPolarHBondContact CA-O 3.45Å; V183-F194 HydrophobicContact CB-CB 4.21Å; V183-F194 HydrophobicContact CB-CD1 4.46Å; V183-F194 HydrophobicContact CG2-CD1 4.21Å; V183-F194 PolarHBondContact N-O 3.19Å; V183-F194 PolarHBondContact O-N 2.99Å; F194-D196 HydrophobicContact CE1-CB 3.64Å; F194-D196 HydrophobicContact CZ-CB 3.82Å; F194-Y301 AromaticContact CD1-CD2 3.51Å; F194-Y301 HydrophobicContact CD1-CD2 3.51Å; F194-Y301 AromaticContact CD1-CE2 3.99Å; F194-Y301 HydrophobicContact CD1-CE2 3.99Å; F194-Y301 AromaticContact CE1-CD2 3.52Å; F194-Y301 HydrophobicContact CE1-CD2 3.52Å; F194-Y301 HydrophobicContact CE1-CE2 4.43Å; F194-Y301 HydrophobicContact CE1-CG 4.27Å; F194-Y301 HydrophobicContact CG-CD2 4.08Å; F194-Y301 HydrophobicContact CG-CE2 4.22Å; F194-Y301 HydrophobicContact CZ-CD2 4.09Å; F194-A304 HydrophobicContact CE2-CB 3.59Å; F194-A304 HydrophobicContact CZ-CB 4.08Å; F194-Q418 VanDerWaalsContact CA-O 3.28Å; F194-Q418 WeakPolarHBondContact CA-O 3.47Å; F194-Q418 HydrophobicContact CD2-CB 4Å; F194-Q418 HydrophobicContact CE2-CB 3.79Å; F194-W419 HydrophobicContact CB-CD2 4.12Å; F194-W419 HydrophobicContact CB-CE3 3.67Å; F194-W419 HydrophobicContact CB-CH2 3.95Å; F194-W419 HydrophobicContact CB-CZ2 4.37Å; F194-W419 HydrophobicContact CB-CZ3 3.58Å; F194-W419 AromaticContact CD2-CD2 3.66Å; F194-W419 HydrophobicContact CD2-CD2 3.66Å; F194-W419 AromaticContact CD2-CE2 3.35Å; F194-W419 HydrophobicContact CD2-CE3 4.09Å; F194-W419 HydrophobicContact CD2-CG 4.2Å; F194-W419 AromaticContact CD2-CH2 3.97Å; F194-W419 HydrophobicContact CD2-CH2 3.97Å; F194-W419 AromaticContact CD2-CZ2 3.52Å; F194-W419 HydrophobicContact CD2-CZ2 3.52Å; F194-W419 HydrophobicContact CD2-CZ3 4.23Å; F194-W419 AromaticContact CD2-NE1 3.74Å; F194-W419 AromaticContact CE2-CE2 3.92Å; F194-W419 HydrophobicContact CE2-CZ2 4.02Å; F194-W419 AromaticContact CE2-NE1 3.97Å; F194-W419 HydrophobicContact CG-CD2 4.32Å; F194-W419 HydrophobicContact CG-CE3 4.29Å; F194-W419 HydrophobicContact CG-CH2 4.03Å; F194-W419 HydrophobicContact CG-CZ2 4.05Å; F194-W419 HydrophobicContact CG-CZ3 4.15Å
195	C	98.8	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.7	176	-64	0	0	0	0	112.8	F197 F298 E404 Q418	C195-F197 HydrophobicContact CB-CD1 4.41Å; C195-F197 HydrophobicContact CB-CE1 3.78Å; C195-F197 HydrophobicContact CB-CZ 3.89Å; C195-F298 HydrophobicContact CB-CE1 4.32Å; C195-F298 WeakPolarHBondContact O-CD1 3.29Å; C195-E404 VanDerWaalsContact SG-CB 3.57Å; C195-Q418 PolarHBondContact N-O 3.13Å; C195-Q418 VanDerWaalsContact N-O 3.15Å; C195-Q418 PolarHBondContact O-NE2 3.07Å
196	D	98.6	Very high	97.3	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.011	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	104.4	166.5	177	1.4	0	0	0	110.1	R175 F181 F194 G198 P300	R175-D196 IonicContact CZ-OD1 2.62Å; R175-D196 IonicContact CZ-OD2 3.36Å; R175-D196 VanDerWaalsContact CZ-OD2 3.24Å; R175-D196 IonicContact NE-OD1 3.76Å; R175-D196 PolarHBondContact NE-OD1 3.1Å; R175-D196 IonicContact NE-OD2 2.88Å; R175-D196 PolarHBondContact NE-OD2 2.72Å; R175-D196 IonicContact NH1-OD1 3.04Å; R175-D196 IonicContact NH2-OD1 2.7Å; R175-D196 PolarHBondContact NH2-OD1 3.21Å; R175-D196 IonicContact NH2-OD2 3.03Å; R175-D196 PolarHBondContact NH2-OD2 3.06Å; F181-D196 HydrophobicContact CB-CB 4.38Å; F181-D196 PolarHBondContact N-O 2.79Å; F181-D196 PolarHBondContact O-N 2.91Å; F194-D196 HydrophobicContact CE1-CB 3.64Å; F194-D196 HydrophobicContact CZ-CB 3.82Å; D196-G198 PolarHBondContact OD1-N 2.92Å; D196-P300 WeakPolarHBondContact OD2-CA 3.34Å
197	F	98.5	Very high	97	Very high	10 Å²	10	24 Å²	24	4%	0.044	13%	0.133	C	C	.	.			trans	-104	18	178.3	-54.7	-16.1	0	0	0	113.5	K180 V182 C195 F201 F298 E404 A408 P415	K180-F197 HydrophobicContact CB-CD1 3.78Å; K180-F197 HydrophobicContact CB-CE1 4.46Å; K180-F197 HydrophobicContact CB-CG 4.42Å; K180-F197 HydrophobicContact CG-CB 3.97Å; K180-F197 HydrophobicContact CG-CD1 4.04Å; K180-F197 HydrophobicContact CG-CG 4.18Å; V182-F197 HydrophobicContact CG2-CE1 3.83Å; V182-F197 HydrophobicContact CG2-CZ 4.4Å; C195-F197 HydrophobicContact CB-CD1 4.41Å; C195-F197 HydrophobicContact CB-CE1 3.78Å; C195-F197 HydrophobicContact CB-CZ 3.89Å; F197-F201 HydrophobicContact CB-CB 4.24Å; F197-F201 HydrophobicContact CB-CD2 3.7Å; F197-F201 HydrophobicContact CB-CE2 4.18Å; F197-F201 HydrophobicContact CB-CG 3.91Å; F197-F201 HydrophobicContact CD2-CD1 4.23Å; F197-F201 HydrophobicContact CD2-CD2 4.3Å; F197-F201 HydrophobicContact CD2-CE1 4.03Å; F197-F201 HydrophobicContact CD2-CE2 4.11Å; F197-F201 HydrophobicContact CD2-CG 4.35Å; F197-F201 AromaticContact CD2-CZ 3.97Å; F197-F201 HydrophobicContact CD2-CZ 3.97Å; F197-F201 HydrophobicContact CG-CD2 4.43Å; F197-F201 HydrophobicContact CG-CE2 4.47Å; F197-F298 HydrophobicContact CB-CD2 3.89Å; F197-F298 HydrophobicContact CB-CE2 3.74Å; F197-F298 HydrophobicContact CB-CG 4.45Å; F197-F298 HydrophobicContact CB-CZ 4.16Å; F197-F298 HydrophobicContact CD2-CE1 4.42Å; F197-F298 HydrophobicContact CD2-CE2 4.16Å; F197-F298 AromaticContact CD2-CZ 3.83Å; F197-F298 HydrophobicContact CD2-CZ 3.83Å; F197-F298 HydrophobicContact CG-CE1 4.49Å; F197-F298 HydrophobicContact CG-CE2 4.23Å; F197-F298 HydrophobicContact CG-CZ 4.14Å; F197-E404 HydrophobicContact CZ-CB 4.36Å; F197-E404 WeakPolarHBondContact CZ-O 3.25Å; F197-A408 HydrophobicContact CD1-CB 4Å; F197-A408 HydrophobicContact CD2-CB 4.2Å; F197-A408 HydrophobicContact CE1-CB 3.71Å; F197-A408 HydrophobicContact CE2-CB 3.86Å; F197-A408 HydrophobicContact CG-CB 4.29Å; F197-A408 HydrophobicContact CZ-CB 3.65Å; F197-P415 HydrophobicContact CD2-CB 3.99Å; F197-P415 HydrophobicContact CD2-CG 3.94Å; F197-P415 HydrophobicContact CE2-CB 3.58Å; F197-P415 HydrophobicContact CE2-CG 3.8Å
198	G	97.8	Very high	96.8	Very high	17 Å²	17	24.8 Å²	24.8	18%	0.175	14%	0.143	C	C	.	.			trans	87.6	-164.5	179.3	0	0	0	0	0	114.2	R175 D196 F298	R175-G198 VanDerWaalsContact NH1-C 3.35Å; D196-G198 PolarHBondContact OD1-N 2.92Å; G198-F298 WeakPolarHBondContact O-CB 3.48Å; G198-F298 WeakPolarHBondContact O-CD2 3.39Å; G198-F298 PolarHBondContact O-N 3.16Å
199	T	95.7	Very high	96.5	Very high	93 Å²	93	28.9 Å²	28.9	57%	0.571	16%	0.162	S	C	*	.	S	Bend	trans	-96.4	149.8	171.3	52.1	0	0	0	0	109.3	F201	T199-F201 VanDerWaalsContact C-N 3.32Å; T199-F201 PolarHBondContact O-N 3.47Å
200	D	94.5	Very high	96	Very high	91 Å²	91	34.9 Å²	34.9	49%	0.487	20%	0.198	S	C	.	.	S	Bend	trans	58.1	35.5	178.1	-60.3	-65.5	0	0	0	115	V202 N297	D200-V202 PolarHBondContact O-N 3.26Å; D200-N297 PolarHBondContact N-OD1 3.04Å
201	F	97.7	Very high	95.6	Very high	19 Å²	19	37.3 Å²	37.3	8%	0.083	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.7	174.6	-178.5	-98.9	0	0	0	110	F197 T199 V203 K295 I296 F298 P415	F197-F201 HydrophobicContact CB-CB 4.24Å; F197-F201 HydrophobicContact CB-CD2 3.7Å; F197-F201 HydrophobicContact CB-CE2 4.18Å; F197-F201 HydrophobicContact CB-CG 3.91Å; F197-F201 HydrophobicContact CD2-CD1 4.23Å; F197-F201 HydrophobicContact CD2-CD2 4.3Å; F197-F201 HydrophobicContact CD2-CE1 4.03Å; F197-F201 HydrophobicContact CD2-CE2 4.11Å; F197-F201 HydrophobicContact CD2-CG 4.35Å; F197-F201 AromaticContact CD2-CZ 3.97Å; F197-F201 HydrophobicContact CD2-CZ 3.97Å; F197-F201 HydrophobicContact CG-CD2 4.43Å; F197-F201 HydrophobicContact CG-CE2 4.47Å; T199-F201 VanDerWaalsContact C-N 3.32Å; T199-F201 PolarHBondContact O-N 3.47Å; F201-V203 HydrophobicContact CD1-CG2 3.93Å; F201-V203 HydrophobicContact CE1-CG2 3.81Å; F201-K295 CarbonylContact O-C 3.39Å; F201-K295 WeakPolarHBondContact O-CA 3.28Å; F201-I296 PolarHBondContact N-O 3.43Å; F201-I296 PolarHBondContact O-N 3.19Å; F201-F298 HydrophobicContact CB-CD2 4.36Å; F201-F298 HydrophobicContact CB-CE2 3.94Å; F201-F298 HydrophobicContact CD1-CE2 4.35Å; F201-F298 HydrophobicContact CG-CE2 4.31Å; F201-P415 HydrophobicContact CD1-CG 4.12Å; F201-P415 HydrophobicContact CE1-CG 3.72Å
202	V	97.5	Very high	95.2	Very high	40 Å²	40	39.9 Å²	39.9	24%	0.242	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.1	-176.4	-175.8	0	0	0	0	110.5	D200 Y204 P293 K295	D200-V202 PolarHBondContact O-N 3.26Å; V202-Y204 HydrophobicContact CB-CE2 4.11Å; V202-Y204 HydrophobicContact CG1-CD1 4.21Å; V202-Y204 HydrophobicContact CG1-CD2 4.28Å; V202-Y204 HydrophobicContact CG1-CE1 3.89Å; V202-Y204 HydrophobicContact CG1-CE2 3.92Å; V202-Y204 HydrophobicContact CG1-CG 4.42Å; V202-Y204 WeakPolarHBondContact O-CE2 3.23Å; V202-P293 HydrophobicContact CG1-CB 3.83Å; V202-K295 HydrophobicContact CG2-CG 4.41Å
203	V	97.5	Very high	94.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.8	168.7	179.9	0	0	0	0	108.5	F201 P206 P293 L294 I296 G411 F413 P415	F201-V203 HydrophobicContact CD1-CG2 3.93Å; F201-V203 HydrophobicContact CE1-CG2 3.81Å; V203-P206 HydrophobicContact CG1-CB 4.11Å; V203-P293 CarbonylContact O-C 3.6Å; V203-P293 VanDerWaalsContact O-CA 3.27Å; V203-P293 WeakPolarHBondContact O-CA 3.32Å; V203-L294 HydrophobicContact CB-CB 4.26Å; V203-L294 PolarHBondContact N-O 3.07Å; V203-L294 PolarHBondContact O-N 3.35Å; V203-I296 HydrophobicContact CG2-CD1 3.7Å; V203-I296 HydrophobicContact CG2-CG1 4.33Å; V203-G411 CarbonylContact C-O 3.53Å; V203-G411 VanDerWaalsContact CA-O 3.32Å; V203-G411 WeakPolarHBondContact CA-O 3.16Å; V203-F413 WeakPolarHBondContact CG1-O 3.2Å; V203-P415 HydrophobicContact CG2-CG 4.23Å
204	Y	95	Very high	94.6	Very high	112 Å²	112	43 Å²	43	44%	0.439	25%	0.253	S	S	.	.	S	Bend	trans	-86.1	-26.6	-176.9	-60.2	-92.1	0	0	0	112.5	V202 G411	V202-Y204 HydrophobicContact CB-CE2 4.11Å; V202-Y204 HydrophobicContact CG1-CD1 4.21Å; V202-Y204 HydrophobicContact CG1-CD2 4.28Å; V202-Y204 HydrophobicContact CG1-CE1 3.89Å; V202-Y204 HydrophobicContact CG1-CE2 3.92Å; V202-Y204 HydrophobicContact CG1-CG 4.42Å; V202-Y204 WeakPolarHBondContact O-CE2 3.23Å; Y204-G411 WeakPolarHBondContact CD2-O 3.31Å; Y204-G411 PolarHBondContact N-O 2.87Å
205	D	94.5	Very high	94.3	Very high	27 Å²	27	44.3 Å²	44.3	14%	0.144	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-144.1	103.9	175.4	178	-7.9	0	0	0	108.6	T207 G208 K291 K412 F413	D205-T207 VanDerWaalsContact C-N 3.34Å; D205-T207 PolarHBondContact O-N 3.06Å; D205-T207 PolarHBondContact OD1-N 3.19Å; D205-T207 VanDerWaalsContact OD1-N 3.08Å; D205-G208 PolarHBondContact OD1-N 2.81Å; D205-G208 WeakPolarHBondContact OD2-CA 3.4Å; D205-K291 HydrophobicContact CB-CD 4.27Å; D205-K291 VanDerWaalsContact OD1-CD 3.32Å; D205-K291 WeakPolarHBondContact OD1-CD 3.4Å; D205-K291 WeakPolarHBondContact OD1-CE 3.41Å; D205-K291 IonicContact OD1-NZ 3.59Å; D205-K291 PolarHBondContact OD1-NZ 3.16Å; D205-K291 IonicContact OD2-NZ 2.67Å; D205-K291 PolarHBondContact OD2-NZ 3.29Å; D205-K412 HydrophobicContact CB-CG 4.25Å; D205-F413 WeakPolarHBondContact O-CA 3.35Å; D205-F413 PolarHBondContact O-N 3.04Å
206	P	93.5	Very high	94.1	Very high	30 Å²	30	44.6 Å²	44.6	20%	0.195	26%	0.26	C	S	.	.	S	Bend	trans	-73.5	-19.8	-174.4	25.9	-32.1	0	0	0	114.7	V203 T414	V203-P206 HydrophobicContact CG1-CB 4.11Å; P206-T414 WeakPolarHBondContact CA-OG1 3.3Å; P206-T414 WeakPolarHBondContact CB-OG1 3.18Å; P206-T414 PolarHBondContact O-N 3.14Å; P206-T414 PolarHBondContact O-OG1 3.03Å
207	T	92.4	Very high	93.8	Very high	47 Å²	47	48.8 Å²	48.8	29%	0.288	28%	0.28	S	S	.	.	S	Bend	trans	-125.9	-24.1	-168.3	65.5	0	0	0	0	114.6	D205 E209 K291 A932 L933	D205-T207 VanDerWaalsContact C-N 3.34Å; D205-T207 PolarHBondContact O-N 3.06Å; D205-T207 PolarHBondContact OD1-N 3.19Å; D205-T207 VanDerWaalsContact OD1-N 3.08Å; T207-E209 PolarHBondContact O-N 3.36Å; T207-E209 PolarHBondContact OG1-N 3.02Å; T207-K291 PolarHBondContact OG1-NZ 3.15Å; T207-A932 WeakPolarHBondContact O-CB 3.35Å; T207-L933 HydrophobicContact CG2-CD2 4.28Å
208	G	92.3	Very high	93.6	Very high	29 Å²	29	53.1 Å²	53.1	30%	0.299	30%	0.3	S	S	.	.			trans	75.6	-10.5	-170.5	0	0	0	0	0	116.4	D205	D205-G208 PolarHBondContact OD1-N 2.81Å; D205-G208 WeakPolarHBondContact OD2-CA 3.4Å
209	E	91.6	Very high	93.5	Very high	87 Å²	87	52.5 Å²	52.5	41%	0.407	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-63	147.6	-177.4	-65.6	-56.8	144.8	0	0	111.5	T207 P211 K291 K603	T207-E209 PolarHBondContact O-N 3.36Å; T207-E209 PolarHBondContact OG1-N 3.02Å; E209-P211 WeakPolarHBondContact O-CD 3.49Å; E209-K291 WeakPolarHBondContact O-CE 3.29Å; E209-K291 PolarHBondContact O-NZ 3.34Å; E209-K603 WeakPolarHBondContact OE1-CE 3.13Å; E209-K603 IonicContact OE1-NZ 2.69Å; E209-K603 PolarHBondContact OE1-NZ 2.75Å; E209-K603 IonicContact OE2-NZ 2.8Å; E209-K603 PolarHBondContact OE2-NZ 2.83Å
210	V	87.7	Confident	93.6	Very high	127 Å²	127	51.8 Å²	51.8	77%	0.77	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-64.1	126.3	172.7	-179.3	0	0	0	0	108.1	P212	V210-P212 WeakPolarHBondContact O-CD 3.39Å
211	P	90.4	Very high	93.7	Very high	51 Å²	51	52.5 Å²	52.5	33%	0.331	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-56.2	125	178.8	-22.7	31.7	0	0	0	110.6	E209 S213 T288 L289	E209-P211 WeakPolarHBondContact O-CD 3.49Å; P211-S213 PolarHBondContact O-N 3.06Å; P211-T288 HydrophobicContact CB-CG2 4.5Å; P211-L289 HydrophobicContact CB-CB 4.23Å; P211-L289 HydrophobicContact CB-CD2 4.1Å; P211-L289 VanDerWaalsContact CB-O 3.24Å; P211-L289 WeakPolarHBondContact CB-O 3.45Å
212	P	90.5	Very high	93.6	Very high	53 Å²	53	53.2 Å²	53.2	34%	0.344	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-57.7	140.4	178.1	-23.1	31.4	0	0	0	111.1	V210 F237 L289	V210-P212 WeakPolarHBondContact O-CD 3.39Å; P212-F237 HydrophobicContact CB-CD1 4.31Å; P212-F237 HydrophobicContact CB-CE1 3.92Å; P212-L289 PolarHBondContact O-N 3.35Å
213	S	91.6	Very high	93.4	Very high	61 Å²	61	59.2 Å²	59.2	43%	0.427	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.4	178.7	-166.2	0	0	0	0	109	P211 M286 C287 T288	P211-S213 PolarHBondContact O-N 3.06Å; S213-M286 WeakPolarHBondContact OG-CE 3.35Å; S213-C287 CarbonylContact C-O 3.6Å; S213-C287 VanDerWaalsContact CA-O 3.28Å; S213-C287 WeakPolarHBondContact CA-O 3.49Å; S213-C287 PolarHBondContact OG-O 3.34Å; S213-T288 PolarHBondContact OG-OG1 2.9Å
214	V	92.6	Very high	93.2	Very high	8 Å²	8	65.6 Å²	65.6	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.4	-172.3	67.4	0	0	0	0	111.3	C229 H235 F237 M286 C287	V214-C229 HydrophobicContact CG2-CB 3.81Å; V214-H235 HydrophobicContact CG1-CB 4.12Å; V214-F237 HydrophobicContact CG1-CE2 3.97Å; V214-F237 HydrophobicContact CG1-CZ 3.88Å; V214-M286 WeakPolarHBondContact O-CA 3.43Å; V214-C287 HydrophobicContact CG1-CB 3.92Å; V214-C287 PolarHBondContact N-O 3.42Å; V214-C287 PolarHBondContact O-N 2.91Å
215	M	91.4	Very high	93.2	Very high	27 Å²	27	60.3 Å²	60.3	13%	0.133	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	145.6	173.6	-77.3	177.5	-69.3	0	0	111.1	C229 L230 M286 Y638 T745	M215-C229 WeakPolarHBondContact O-CA 3.46Å; M215-L230 HydrophobicContact CB-CB 4.04Å; M215-L230 HydrophobicContact CB-CD2 4.44Å; M215-L230 HydrophobicContact CE-CD2 3.9Å; M215-L230 PolarHBondContact O-N 3.08Å; M215-L230 HydrophobicContact SD-CD2 4.31Å; M215-M286 HydrophobicContact CB-SD 4.15Å; M215-M286 HydrophobicContact CG-CE 4.44Å; M215-M286 HydrophobicContact CG-SD 3.24Å; M215-M286 WeakPolarHBondContact CG-SD 3.4Å; M215-Y638 HydrophobicContact CE-CD2 3.61Å; M215-Y638 HydrophobicContact CE-CE2 3.29Å; M215-Y638 HydrophobicContact SD-CD2 3.71Å; M215-Y638 HydrophobicContact SD-CE2 4.06Å; M215-Y638 HydrophobicContact SD-CG 4.47Å; M215-T745 HydrophobicContact CE-CG2 3.57Å; M215-T745 HydrophobicContact SD-CG2 4.29Å
216	I	93.8	Very high	93.4	Very high	5 Å²	5	61 Å²	61	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132	-174.7	-59.1	169.7	0	0	0	109.9	I219 V227 F245 V248 Y281 G285 C287	I216-I219 HydrophobicContact CD1-CD1 4.12Å; I216-I219 HydrophobicContact CG2-CD1 4.1Å; I216-I219 HydrophobicContact CG2-CG1 3.6Å; I216-V227 HydrophobicContact CD1-CG1 4.3Å; I216-V227 HydrophobicContact CG1-CG1 4.05Å; I216-V227 HydrophobicContact CG2-CG1 3.98Å; I216-F245 HydrophobicContact CD1-CD1 3.41Å; I216-F245 VanDerWaalsContact CD1-CD1 3.41Å; I216-F245 HydrophobicContact CD1-CE1 3.55Å; I216-V248 HydrophobicContact CD1-CG2 4.21Å; I216-Y281 HydrophobicContact CG2-CE2 4.23Å; I216-Y281 PolarHBondContact O-OH 3.44Å; I216-G285 PolarHBondContact N-O 3.44Å; I216-C287 HydrophobicContact CD1-CB 4.04Å; I216-C287 HydrophobicContact CG1-CB 4.21Å
217	Q	92.6	Very high	93.6	Very high	91 Å²	91	59.6 Å²	59.6	43%	0.425	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-47.8	170.5	-174.5	73.3	36	0	0	110.7	T228 C229 Y281	Q217-T228 HydrophobicContact CB-CG2 4.37Å; Q217-T228 WeakPolarHBondContact CB-O 3.49Å; Q217-T228 PolarHBondContact N-O 2.84Å; Q217-C229 WeakPolarHBondContact CB-O 3.46Å; Q217-Y281 VanDerWaalsContact C-OH 3.27Å; Q217-Y281 VanDerWaalsContact O-CE1 3.24Å; Q217-Y281 WeakPolarHBondContact O-CE1 3.46Å; Q217-Y281 VanDerWaalsContact O-CZ 3.3Å; Q217-Y281 PolarHBondContact O-OH 2.68Å
218	Q	94.3	Very high	93.8	Very high	100 Å²	100	59.3 Å²	59.3	47%	0.467	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	149.5	-175	-175.9	174.9	-30.6	0	0	111.3	T228 Y281	Q218-T228 PolarHBondContact N-O 3.49Å; Q218-T228 PolarHBondContact O-N 3.35Å; Q218-Y281 HydrophobicContact CB-CE1 4.34Å; Q218-Y281 HydrophobicContact CG-CD1 4.27Å
219	I	96.9	Very high	93.9	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122	167.8	-48.9	179.1	0	0	0	108.9	I216 L226 V227 F245 V248 M251 L254 Y281	I216-I219 HydrophobicContact CD1-CD1 4.12Å; I216-I219 HydrophobicContact CG2-CD1 4.1Å; I216-I219 HydrophobicContact CG2-CG1 3.6Å; I219-L226 CarbonylContact C-O 3.5Å; I219-L226 WeakPolarHBondContact CA-O 3.46Å; I219-V227 HydrophobicContact CG1-CG1 4.37Å; I219-V227 HydrophobicContact CG1-CG2 4.36Å; I219-V227 HydrophobicContact CG2-CG2 4.14Å; I219-F245 HydrophobicContact CD1-CD1 4.46Å; I219-F245 HydrophobicContact CD1-CE1 4.38Å; I219-V248 HydrophobicContact CD1-CG1 3.92Å; I219-V248 HydrophobicContact CD1-CG2 4.22Å; I219-M251 HydrophobicContact CB-CE 4.43Å; I219-M251 HydrophobicContact CB-SD 4.22Å; I219-M251 HydrophobicContact CG2-CE 4.16Å; I219-M251 HydrophobicContact CG2-SD 3.7Å; I219-L254 HydrophobicContact CD1-CD1 3.48Å; I219-L254 VanDerWaalsContact CD1-CD1 3.48Å; I219-L254 HydrophobicContact CG2-CD1 4.19Å; I219-Y281 HydrophobicContact CB-CD2 4.07Å; I219-Y281 HydrophobicContact CB-CG 4.29Å; I219-Y281 HydrophobicContact CD1-CD2 4.13Å; I219-Y281 HydrophobicContact CD1-CE2 4.47Å; I219-Y281 HydrophobicContact CG1-CD2 3.86Å; I219-Y281 HydrophobicContact CG1-CE2 4.18Å; I219-Y281 WeakPolarHBondContact O-CB 3.42Å
220	E	96.9	Very high	93.8	Very high	78 Å²	78	54.9 Å²	54.9	36%	0.364	29%	0.286	S	S	.	.			trans	-74.1	136	175.6	-69.6	-170.8	179.8	0	0	111.5	S222 G225 L226 T275	E220-S222 PolarHBondContact O-N 2.96Å; E220-G225 WeakPolarHBondContact O-CA 3.44Å; E220-L226 HydrophobicContact CB-CB 4.29Å; E220-L226 HydrophobicContact CG-CB 4.11Å; E220-L226 PolarHBondContact N-O 3.16Å; E220-T275 PolarHBondContact O-OG1 2.89Å
221	K	96.4	Very high	93.5	Very high	106 Å²	106	56.7 Å²	56.7	46%	0.461	29%	0.286	S	S	.	.			trans	-86.5	93.6	169.3	-177.5	176.9	174.4	165.1	0	109.4	M251 S276 F278	K221-M251 HydrophobicContact CB-CE 4.14Å; K221-S276 WeakPolarHBondContact CE-O 3.38Å; K221-F278 VanDerWaalsContact CD-O 3.31Å; K221-F278 WeakPolarHBondContact CD-O 3.23Å; K221-F278 WeakPolarHBondContact CE-O 3.49Å; K221-F278 PolarHBondContact NZ-O 2.98Å
222	S	95.5	Very high	92.9	Very high	34 Å²	34	64.1 Å²	64.1	24%	0.238	32%	0.317	C	S	.	.	S	Bend	trans	-158.7	175.5	-176.7	85.4	0	0	0	0	112.7	E220 Q224 G225 T275 S276	E220-S222 PolarHBondContact O-N 2.96Å; S222-Q224 PolarHBondContact O-N 2.79Å; S222-Q224 PolarHBondContact OG-N 2.81Å; S222-Q224 VanDerWaalsContact OG-N 3.12Å; S222-Q224 PolarHBondContact OG-O 2.85Å; S222-G225 PolarHBondContact O-N 3.33Å; S222-T275 PolarHBondContact N-OG1 2.87Å; S222-T275 PolarHBondContact O-N 3.19Å; S222-T275 PolarHBondContact O-OG1 3.01Å; S222-S276 PolarHBondContact O-N 3.12Å; S222-S276 PolarHBondContact O-OG 3.05Å
223	K	93.9	Very high	92.7	Very high	165 Å²	165	63.5 Å²	63.5	72%	0.717	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.7	174.1	-72.1	-165.8	175.5	-171.8	0	113.6	G273 D274 S276	K223-G273 CarbonylContact O-C 3.58Å; K223-D274 WeakPolarHBondContact CA-OD1 3.5Å; K223-D274 WeakPolarHBondContact O-CA 3.39Å; K223-D274 PolarHBondContact O-N 3.4Å; K223-S276 PolarHBondContact N-OG 3.41Å; K223-S276 VanDerWaalsContact N-OG 3.11Å
224	Q	93.1	Very high	92.7	Very high	135 Å²	135	70.3 Å²	70.3	63%	0.631	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	78	171.7	-70.9	-169.8	-19.5	0	0	106.9	S222 L226	S222-Q224 PolarHBondContact O-N 2.79Å; S222-Q224 PolarHBondContact OG-N 2.81Å; S222-Q224 VanDerWaalsContact OG-N 3.12Å; S222-Q224 PolarHBondContact OG-O 2.85Å; Q224-L226 WeakPolarHBondContact O-CG 3.33Å; Q224-L226 PolarHBondContact O-N 3.39Å
225	G	96	Very high	92.7	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.328	C	S	.	.			trans	-56.2	102.1	179.4	0	0	0	0	0	110.1	E220 S222 S271 I272 G273 T275	E220-G225 WeakPolarHBondContact O-CA 3.44Å; S222-G225 PolarHBondContact O-N 3.33Å; G225-S271 WeakPolarHBondContact O-CA 3.49Å; G225-I272 PolarHBondContact O-N 3.45Å; G225-I272 VanDerWaalsContact O-N 3.08Å; G225-G273 PolarHBondContact N-O 3.01Å; G225-T275 WeakPolarHBondContact CA-OG1 3.19Å
226	L	97.7	Very high	92.7	Very high	41 Å²	41	71.8 Å²	71.8	22%	0.215	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.5	176.8	-66.1	-179.2	0	0	0	108.2	I219 E220 Q224 V265 V269 F270	I219-L226 CarbonylContact C-O 3.5Å; I219-L226 WeakPolarHBondContact CA-O 3.46Å; E220-L226 HydrophobicContact CB-CB 4.29Å; E220-L226 HydrophobicContact CG-CB 4.11Å; E220-L226 PolarHBondContact N-O 3.16Å; Q224-L226 WeakPolarHBondContact O-CG 3.33Å; Q224-L226 PolarHBondContact O-N 3.39Å; L226-V265 HydrophobicContact CD2-CG2 3.96Å; L226-V269 HydrophobicContact CB-CG1 4.41Å; L226-V269 HydrophobicContact CD2-CG1 4.36Å; L226-F270 WeakPolarHBondContact CA-O 3.3Å
227	V	97.5	Very high	92.8	Very high	1 Å²	1	72 Å²	72	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.6	172.9	-176	0	0	0	0	107.1	I216 I219 F245 V269 F270 I272	I216-V227 HydrophobicContact CD1-CG1 4.3Å; I216-V227 HydrophobicContact CG1-CG1 4.05Å; I216-V227 HydrophobicContact CG2-CG1 3.98Å; I219-V227 HydrophobicContact CG1-CG1 4.37Å; I219-V227 HydrophobicContact CG1-CG2 4.36Å; I219-V227 HydrophobicContact CG2-CG2 4.14Å; V227-F245 HydrophobicContact CG1-CE1 4.32Å; V227-F245 HydrophobicContact CG2-CE1 4.15Å; V227-F245 HydrophobicContact CG2-CZ 4.05Å; V227-V269 WeakPolarHBondContact O-CA 3.43Å; V227-F270 HydrophobicContact CB-CD1 4.38Å; V227-F270 HydrophobicContact CB-CD2 4.22Å; V227-F270 HydrophobicContact CB-CE1 3.91Å; V227-F270 HydrophobicContact CB-CE2 3.74Å; V227-F270 HydrophobicContact CB-CZ 3.55Å; V227-F270 HydrophobicContact CG1-CE1 3.83Å; V227-F270 HydrophobicContact CG1-CE2 4.12Å; V227-F270 HydrophobicContact CG1-CZ 3.47Å; V227-F270 VanDerWaalsContact CG1-CZ 3.47Å; V227-F270 HydrophobicContact CG2-CE2 3.93Å; V227-F270 HydrophobicContact CG2-CZ 4.15Å; V227-F270 PolarHBondContact N-O 3.41Å; V227-F270 PolarHBondContact O-N 2.84Å; V227-F270 VanDerWaalsContact O-N 3.1Å; V227-I272 HydrophobicContact CG2-CD1 3.99Å; V227-I272 HydrophobicContact CG2-CG1 4.11Å; V227-I272 HydrophobicContact CG2-CG2 4.08Å
228	T	96.4	Very high	92.9	Very high	41 Å²	41	74.3 Å²	74.3	25%	0.252	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127	175	-55.6	0	0	0	0	108.6	Q217 Q218 V269	Q217-T228 HydrophobicContact CB-CG2 4.37Å; Q217-T228 WeakPolarHBondContact CB-O 3.49Å; Q217-T228 PolarHBondContact N-O 2.84Å; Q218-T228 PolarHBondContact N-O 3.49Å; Q218-T228 PolarHBondContact O-N 3.35Å; T228-V269 HydrophobicContact CG2-CG2 4.11Å
229	C	94.5	Very high	93	Very high	5 Å²	5	75 Å²	75	3%	0.034	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	158.8	176.8	-56.6	0	0	0	0	110.8	V214 M215 Q217 T233 D268	V214-C229 HydrophobicContact CG2-CB 3.81Å; M215-C229 WeakPolarHBondContact O-CA 3.46Å; Q217-C229 WeakPolarHBondContact CB-O 3.46Å; C229-T233 WeakPolarHBondContact CB-OG1 3.46Å; C229-D268 HydrophobicContact CB-CB 4.4Å; C229-D268 WeakPolarHBondContact CB-O 3.4Å; C229-D268 PolarHBondContact N-O 3.37Å; C229-D268 PolarHBondContact SG-O 3.38Å
230	L	89.8	Confident	92.8	Very high	18 Å²	18	75.9 Å²	75.9	9%	0.094	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-57.1	148.6	172.1	-156.9	80.7	0	0	0	111.2	M215 E232 T233 T745	M215-L230 HydrophobicContact CB-CB 4.04Å; M215-L230 HydrophobicContact CB-CD2 4.44Å; M215-L230 HydrophobicContact CE-CD2 3.9Å; M215-L230 PolarHBondContact O-N 3.08Å; M215-L230 HydrophobicContact SD-CD2 4.31Å; L230-E232 PolarHBondContact O-N 3.49Å; L230-T233 HydrophobicContact CB-CG2 4.38Å; L230-T233 PolarHBondContact N-OG1 2.91Å; L230-T233 WeakPolarHBondContact O-CB 3.44Å; L230-T233 PolarHBondContact O-N 3.42Å; L230-T233 PolarHBondContact O-OG1 3.24Å; L230-T745 HydrophobicContact CD2-CG2 3.36Å
231	E	81.6	Confident	92.7	Very high	165 Å²	165	74.2 Å²	74.2	77%	0.771	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	140	178.7	-75.2	-175.3	164.5	0	0	112.5	T233	E231-T233 PolarHBondContact O-N 3.26Å; E231-T233 VanDerWaalsContact O-N 3.09Å
232	E	79.1	Confident	92.7	Very high	208 Å²	208	73.1 Å²	73.1	97%	0.972	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	3.7	-178	-52.5	-173.8	161.8	0	0	115.9	L230	L230-E232 PolarHBondContact O-N 3.49Å
233	T	84.6	Confident	92.8	Very high	40 Å²	40	71.5 Å²	71.5	25%	0.245	36%	0.355	C	S	.	.			trans	-98.5	135.2	174.7	67.9	0	0	0	0	111.8	C229 L230 E231	C229-T233 WeakPolarHBondContact CB-OG1 3.46Å; L230-T233 HydrophobicContact CB-CG2 4.38Å; L230-T233 PolarHBondContact N-OG1 2.91Å; L230-T233 WeakPolarHBondContact O-CB 3.44Å; L230-T233 PolarHBondContact O-N 3.42Å; L230-T233 PolarHBondContact O-OG1 3.24Å; E231-T233 PolarHBondContact O-N 3.26Å; E231-T233 VanDerWaalsContact O-N 3.09Å
234	R	91.5	Very high	93	Very high	203 Å²	203	65.3 Å²	65.3	77%	0.766	33%	0.331	S	S	*	.			trans	-104.8	136.6	171.2	-62.6	-174.6	179.7	-155.5	-0.4	109	P267	R234-P267 VanDerWaalsContact CA-O 3.32Å; R234-P267 WeakPolarHBondContact CA-O 3.35Å; R234-P267 HydrophobicContact CG-CB 4.36Å
235	H	93.5	Very high	93.1	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.037	30%	0.302	C	S	.	.			trans	-73.4	-30.9	-177.5	50.3	71.5	0	0	0	113.9	V214 F237 G266 P267 F270	V214-H235 HydrophobicContact CG1-CB 4.12Å; H235-F237 HydrophobicContact CB-CD2 3.53Å; H235-F237 HydrophobicContact CB-CE2 3.63Å; H235-F237 HydrophobicContact CB-CG 4.05Å; H235-F237 HydrophobicContact CB-CZ 4.24Å; H235-F237 AromaticContact CG-CD2 3.83Å; H235-F237 AromaticContact ND1-CD2 3.93Å; H235-F237 AromaticContact ND1-CG 3.97Å; H235-F237 PolarHBondContact ND1-N 3.3Å; H235-F237 VanDerWaalsContact ND1-N 3.16Å; H235-F237 PolarHBondContact O-N 3.07Å; H235-F237 VanDerWaalsContact O-N 3.13Å; H235-G266 PolarHBondContact CE1-O 2.72Å; H235-G266 PolarHBondContact NE2-O 2.85Å; H235-P267 PolarHBondContact CD2-O 2.9Å; H235-P267 PolarHBondContact N-O 3.27Å; H235-P267 PolarHBondContact NE2-O 3.47Å; H235-F270 HydrophobicContact CB-CD1 4.36Å; H235-F270 HydrophobicContact CB-CE1 4.3Å; H235-F270 AromaticContact CD2-CD1 3.63Å
236	G	92.1	Very high	93.1	Very high	59 Å²	59	61.5 Å²	61.5	61%	0.608	32%	0.319	S	S	*	.			trans	71.8	-3.1	-178.3	0	0	0	0	0	115.6
237	F	94.7	Very high	92.8	Very high	10 Å²	10	62.5 Å²	62.5	4%	0.044	32%	0.322	C	S	.	.			trans	-64.8	157.4	172.7	-47.5	-37.5	0	0	0	113.6	P212 V214 H235 D241 V243 V262 F270 L289	P212-F237 HydrophobicContact CB-CD1 4.31Å; P212-F237 HydrophobicContact CB-CE1 3.92Å; V214-F237 HydrophobicContact CG1-CE2 3.97Å; V214-F237 HydrophobicContact CG1-CZ 3.88Å; H235-F237 HydrophobicContact CB-CD2 3.53Å; H235-F237 HydrophobicContact CB-CE2 3.63Å; H235-F237 HydrophobicContact CB-CG 4.05Å; H235-F237 HydrophobicContact CB-CZ 4.24Å; H235-F237 AromaticContact CG-CD2 3.83Å; H235-F237 AromaticContact ND1-CD2 3.93Å; H235-F237 AromaticContact ND1-CG 3.97Å; H235-F237 PolarHBondContact ND1-N 3.3Å; H235-F237 VanDerWaalsContact ND1-N 3.16Å; H235-F237 PolarHBondContact O-N 3.07Å; H235-F237 VanDerWaalsContact O-N 3.13Å; F237-D241 WeakPolarHBondContact CA-OD2 3.37Å; F237-V243 HydrophobicContact CD1-CG1 4.47Å; F237-V243 HydrophobicContact CD2-CG1 4.19Å; F237-V243 HydrophobicContact CE1-CG1 4.19Å; F237-V243 HydrophobicContact CE2-CG1 3.91Å; F237-V243 HydrophobicContact CG-CG1 4.48Å; F237-V243 HydrophobicContact CZ-CG1 3.92Å; F237-V262 HydrophobicContact CB-CG1 4.19Å; F237-F270 HydrophobicContact CD2-CD1 4.13Å; F237-F270 HydrophobicContact CD2-CD2 4.49Å; F237-F270 HydrophobicContact CD2-CE1 4.04Å; F237-F270 HydrophobicContact CD2-CE2 4.4Å; F237-F270 HydrophobicContact CD2-CG 4.37Å; F237-F270 HydrophobicContact CD2-CZ 4.19Å; F237-F270 HydrophobicContact CE2-CD1 4.33Å; F237-F270 AromaticContact CE2-CE1 3.77Å; F237-F270 HydrophobicContact CE2-CE1 3.77Å; F237-F270 HydrophobicContact CE2-CE2 4.22Å; F237-F270 AromaticContact CE2-CZ 3.72Å; F237-F270 HydrophobicContact CE2-CZ 3.72Å; F237-L289 HydrophobicContact CD1-CB 4.23Å; F237-L289 HydrophobicContact CD1-CD1 3.98Å; F237-L289 HydrophobicContact CE1-CB 3.89Å; F237-L289 HydrophobicContact CE1-CD1 4.47Å
238	Q	94.4	Very high	92.6	Very high	139 Å²	139	62.6 Å²	62.6	65%	0.65	32%	0.323	S	S	*	.			trans	-117.7	162	174.4	-60.6	-176.1	-6.2	0	0	111.3	G240 D241	Q238-G240 PolarHBondContact O-N 3.46Å; Q238-D241 PolarHBondContact N-OD2 3.18Å; Q238-D241 WeakPolarHBondContact O-CB 3.34Å; Q238-D241 PolarHBondContact O-N 2.87Å; Q238-D241 VanDerWaalsContact O-N 3.15Å
239	D	96.1	Very high	92.4	Very high	113 Å²	113	66.3 Å²	66.3	60%	0.604	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	127.6	175.3	-80.5	-50.4	0	0	0	111.7	T263 V264	D239-T263 WeakPolarHBondContact OD1-CA 3.23Å; D239-V264 PolarHBondContact OD1-N 3.46Å
240	G	93.7	Very high	92.4	Very high	24 Å²	24	66.9 Å²	66.9	25%	0.247	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-2.9	-178.8	0	0	0	0	0	115.2	Q238 Y242 V262	Q238-G240 PolarHBondContact O-N 3.46Å; G240-Y242 WeakPolarHBondContact O-CD2 3.28Å; G240-Y242 VanDerWaalsContact O-CE2 3.28Å; G240-Y242 WeakPolarHBondContact O-CE2 3.49Å; G240-V262 PolarHBondContact N-O 3.33Å
241	D	94.9	Very high	92.7	Very high	44 Å²	44	66 Å²	66	24%	0.235	34%	0.338	C	S	.	.			trans	-59.1	161.5	165.6	-78.2	-20.1	0	0	0	111.2	F237 Q238 R261 V262 L289	F237-D241 WeakPolarHBondContact CA-OD2 3.37Å; Q238-D241 PolarHBondContact N-OD2 3.18Å; Q238-D241 WeakPolarHBondContact O-CB 3.34Å; Q238-D241 PolarHBondContact O-N 2.87Å; Q238-D241 VanDerWaalsContact O-N 3.15Å; D241-R261 CarbonylContact O-C 3.34Å; D241-R261 WeakPolarHBondContact O-CA 3.49Å; D241-V262 HydrophobicContact CB-CB 4.29Å; D241-V262 HydrophobicContact CB-CG2 4.34Å; D241-V262 WeakPolarHBondContact O-CB 3.49Å; D241-V262 PolarHBondContact O-N 3.37Å; D241-L289 HydrophobicContact CB-CD1 4.07Å; D241-L289 WeakPolarHBondContact OD2-CD1 3.22Å
242	Y	96.6	Very high	93.4	Very high	82 Å²	82	62.4 Å²	62.4	32%	0.322	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.1	175.5	-71.8	-100.9	0	0	0	109.9	G240 P259 R260 R261 L289 V290 M292	G240-Y242 WeakPolarHBondContact O-CD2 3.28Å; G240-Y242 VanDerWaalsContact O-CE2 3.28Å; G240-Y242 WeakPolarHBondContact O-CE2 3.49Å; Y242-P259 HydrophobicContact CD1-CB 4.13Å; Y242-P259 HydrophobicContact CG-CB 4.43Å; Y242-R260 CarbonylContact C-O 3.26Å; Y242-R260 VanDerWaalsContact CA-O 3.3Å; Y242-R260 WeakPolarHBondContact CA-O 3.4Å; Y242-R261 HydrophobicContact CD1-CB 4.29Å; Y242-R261 HydrophobicContact CE1-CB 3.87Å; Y242-R261 HydrophobicContact CE1-CG 4.4Å; Y242-R261 HydrophobicContact CE2-CG 4.49Å; Y242-L289 CarbonylContact O-C 3.55Å; Y242-L289 WeakPolarHBondContact O-CA 3.48Å; Y242-V290 PolarHBondContact O-N 3.36Å; Y242-M292 HydrophobicContact CD1-CG 4.42Å; Y242-M292 HydrophobicContact CD2-CG 3.46Å; Y242-M292 VanDerWaalsContact CD2-CG 3.46Å; Y242-M292 HydrophobicContact CE2-CG 4.09Å; Y242-M292 HydrophobicContact CG-CG 3.66Å; Y242-M292 HydrophobicContact CG-SD 4.15Å
243	V	97.3	Very high	94.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155.5	-178.1	-65.9	0	0	0	0	111.8	F237 F245 P259 R260 V262 F270 I272 C287 T288	F237-V243 HydrophobicContact CD1-CG1 4.47Å; F237-V243 HydrophobicContact CD2-CG1 4.19Å; F237-V243 HydrophobicContact CE1-CG1 4.19Å; F237-V243 HydrophobicContact CE2-CG1 3.91Å; F237-V243 HydrophobicContact CG-CG1 4.48Å; F237-V243 HydrophobicContact CZ-CG1 3.92Å; V243-F245 HydrophobicContact CG2-CE2 3.91Å; V243-F245 HydrophobicContact CG2-CZ 4.13Å; V243-P259 CarbonylContact O-C 3.24Å; V243-P259 WeakPolarHBondContact O-CA 3.44Å; V243-R260 PolarHBondContact N-O 2.9Å; V243-R260 PolarHBondContact O-N 3.01Å; V243-V262 HydrophobicContact CB-CG2 4.22Å; V243-V262 HydrophobicContact CG1-CG2 3.53Å; V243-V262 HydrophobicContact CG2-CG2 3.71Å; V243-F270 HydrophobicContact CG2-CE2 4.4Å; V243-I272 HydrophobicContact CG2-CG2 4.03Å; V243-C287 WeakPolarHBondContact CB-SG 3.41Å; V243-T288 CarbonylContact C-O 3.56Å; V243-T288 VanDerWaalsContact CA-O 3.27Å; V243-T288 WeakPolarHBondContact CA-O 3.34Å
244	T	97.2	Very high	94.8	Very high	36 Å²	36	54 Å²	54	22%	0.221	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	167.2	167.3	-167.8	0	0	0	0	109.9	C257 T288 V290	T244-C257 PolarHBondContact OG1-O 3.09Å; T244-T288 PolarHBondContact N-O 2.91Å; T244-T288 PolarHBondContact O-N 3.29Å; T244-V290 HydrophobicContact CG2-CG2 3.69Å
245	F	96.9	Very high	95	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.7	-172.6	-63.7	-98.5	0	0	0	111.8	I216 I219 V227 V243 V248 L254 N255 G256 F270 I272 M286 C287	I216-F245 HydrophobicContact CD1-CD1 3.41Å; I216-F245 VanDerWaalsContact CD1-CD1 3.41Å; I216-F245 HydrophobicContact CD1-CE1 3.55Å; I219-F245 HydrophobicContact CD1-CD1 4.46Å; I219-F245 HydrophobicContact CD1-CE1 4.38Å; V227-F245 HydrophobicContact CG1-CE1 4.32Å; V227-F245 HydrophobicContact CG2-CE1 4.15Å; V227-F245 HydrophobicContact CG2-CZ 4.05Å; V243-F245 HydrophobicContact CG2-CE2 3.91Å; V243-F245 HydrophobicContact CG2-CZ 4.13Å; F245-V248 HydrophobicContact CB-CG2 4Å; F245-V248 HydrophobicContact CD1-CG2 4.15Å; F245-L254 HydrophobicContact CB-CB 3.96Å; F245-L254 WeakPolarHBondContact CB-O 3.46Å; F245-L254 HydrophobicContact CD2-CB 4.3Å; F245-L254 HydrophobicContact CD2-CD2 4.07Å; F245-L254 HydrophobicContact CE2-CD2 4.29Å; F245-L254 HydrophobicContact CG-CB 4.1Å; F245-N255 WeakPolarHBondContact O-CA 3.31Å; F245-G256 PolarHBondContact O-N 2.81Å; F245-F270 HydrophobicContact CZ-CE2 4.45Å; F245-I272 HydrophobicContact CE2-CD1 3.8Å; F245-I272 HydrophobicContact CE2-CG2 4.1Å; F245-I272 HydrophobicContact CZ-CD1 3.74Å; F245-I272 HydrophobicContact CZ-CG2 3.82Å; F245-M286 WeakPolarHBondContact CA-O 3.38Å; F245-C287 HydrophobicContact CD1-CB 4.11Å; F245-C287 HydrophobicContact CE1-CB 3.77Å; F245-C287 HydrophobicContact CZ-CB 4.36Å
246	S	94.7	Very high	94.9	Very high	50 Å²	50	49.9 Å²	49.9	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	160.8	170.9	54.8	0	0	0	0	109.5	V248 N255 G285 M286	S246-V248 PolarHBondContact O-N 3.47Å; S246-N255 WeakPolarHBondContact CA-OD1 3.32Å; S246-G285 CarbonylContact O-C 3.47Å; S246-G285 VanDerWaalsContact O-CA 3.22Å; S246-G285 WeakPolarHBondContact O-CA 3.4Å; S246-M286 PolarHBondContact N-O 2.81Å; S246-M286 PolarHBondContact O-N 2.94Å
247	E	91.6	Very high	95	Very high	63 Å²	63	48.2 Å²	48.2	29%	0.294	27%	0.273	S	S	.	.	S	Bend	trans	62	10.1	175.7	-49	-175.1	159.4	0	0	116.1	K249 N255 G285 R747	E247-K249 PolarHBondContact O-N 3Å; E247-N255 PolarHBondContact N-OD1 3.25Å; E247-N255 VanDerWaalsContact N-OD1 3.11Å; E247-G285 PolarHBondContact O-N 3.45Å; E247-R747 IonicContact OE1-CZ 3.59Å; E247-R747 IonicContact OE1-NH1 3.32Å; E247-R747 PolarHBondContact OE1-NH1 3.46Å; E247-R747 IonicContact OE1-NH2 2.95Å; E247-R747 PolarHBondContact OE1-NH2 2.88Å; E247-R747 IonicContact OE2-CZ 3.47Å; E247-R747 IonicContact OE2-NH1 2.96Å; E247-R747 PolarHBondContact OE2-NH1 3.03Å; E247-R747 IonicContact OE2-NH2 3.63Å; E247-R747 PolarHBondContact OE2-NH2 2.67Å; E247-R747 VanDerWaalsContact OE2-NH2 3.16Å
248	V	94.5	Very high	95	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.012	31%	0.305	C	S	.	.			trans	-72.2	116.1	178.6	-177.5	0	0	0	0	109.4	I216 I219 F245 S246 M251 N255 Y281	I216-V248 HydrophobicContact CD1-CG2 4.21Å; I219-V248 HydrophobicContact CD1-CG1 3.92Å; I219-V248 HydrophobicContact CD1-CG2 4.22Å; F245-V248 HydrophobicContact CB-CG2 4Å; F245-V248 HydrophobicContact CD1-CG2 4.15Å; S246-V248 PolarHBondContact O-N 3.47Å; V248-M251 HydrophobicContact CG1-CB 3.99Å; V248-N255 WeakPolarHBondContact CB-OD1 3.45Å; V248-N255 PolarHBondContact N-OD1 3.34Å; V248-N255 PolarHBondContact O-ND2 2.9Å; V248-Y281 HydrophobicContact CG1-CD2 4.02Å; V248-Y281 HydrophobicContact CG1-CE2 4.32Å
249	K	92	Very high	95.1	Very high	119 Å²	119	50.4 Å²	50.4	52%	0.517	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-91.4	139	175.7	-59.1	-179.4	-179.9	177.1	0	110.1	E247 M251 I282 S283	E247-K249 PolarHBondContact O-N 3Å; K249-M251 VanDerWaalsContact C-N 3.32Å; K249-M251 PolarHBondContact O-N 3.02Å; K249-I282 HydrophobicContact CB-CB 4.44Å; K249-I282 PolarHBondContact O-N 2.89Å; K249-S283 VanDerWaalsContact CB-O 3.29Å; K249-S283 WeakPolarHBondContact CB-O 3.36Å; K249-S283 PolarHBondContact N-O 3.43Å; K249-S283 PolarHBondContact O-N 3.46Å
250	G	94.2	Very high	95.1	Very high	18 Å²	18	47.5 Å²	47.5	19%	0.186	27%	0.267	C	S	.	.	S	Bend	trans	89.8	-49.5	-179.6	0	0	0	0	0	114	V252 S279 S280	G250-V252 PolarHBondContact O-N 2.95Å; G250-S279 WeakPolarHBondContact O-CB 3.38Å; G250-S280 CarbonylContact C-O 3.55Å; G250-S280 WeakPolarHBondContact CA-O 3.49Å
251	M	96.3	Very high	95.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.			trans	-100.9	63.3	176.9	-167.2	176.8	-71.4	0	0	110.7	I219 K221 V248 K249 E253 L254 T275 F278 S279	I219-M251 HydrophobicContact CB-CE 4.43Å; I219-M251 HydrophobicContact CB-SD 4.22Å; I219-M251 HydrophobicContact CG2-CE 4.16Å; I219-M251 HydrophobicContact CG2-SD 3.7Å; K221-M251 HydrophobicContact CB-CE 4.14Å; V248-M251 HydrophobicContact CG1-CB 3.99Å; K249-M251 VanDerWaalsContact C-N 3.32Å; K249-M251 PolarHBondContact O-N 3.02Å; M251-E253 VanDerWaalsContact C-OE2 3.28Å; M251-E253 PolarHBondContact O-N 2.88Å; M251-L254 HydrophobicContact CG-CD1 3.89Å; M251-L254 HydrophobicContact CG-CG 4.18Å; M251-L254 PolarHBondContact O-N 2.73Å; M251-L254 HydrophobicContact SD-CD1 3.45Å; M251-L254 WeakPolarHBondContact SD-CD1 3.33Å; M251-L254 HydrophobicContact SD-CG 4.18Å; M251-T275 HydrophobicContact SD-CG2 4.4Å; M251-F278 HydrophobicContact CG-CB 3.83Å; M251-F278 HydrophobicContact CG-CD2 4Å; M251-F278 HydrophobicContact CG-CG 4.43Å; M251-F278 HydrophobicContact SD-CB 4.24Å; M251-F278 HydrophobicContact SD-CD2 4.07Å; M251-S279 WeakPolarHBondContact CB-O 3.33Å; M251-S279 VanDerWaalsContact CE-O 3.23Å; M251-S279 WeakPolarHBondContact CE-O 3.21Å; M251-S279 VanDerWaalsContact CG-O 3.28Å; M251-S279 WeakPolarHBondContact CG-O 3.36Å
252	V	95.3	Very high	95.4	Very high	89 Å²	89	51.5 Å²	51.5	54%	0.539	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-68	-20	-167.6	-62.3	0	0	0	0	114.2	G250 L254 N255	G250-V252 PolarHBondContact O-N 2.95Å; V252-L254 PolarHBondContact O-N 3.26Å; V252-N255 WeakPolarHBondContact O-CB 3.49Å; V252-N255 PolarHBondContact O-N 3.42Å
253	E	96.2	Very high	95.4	Very high	71 Å²	71	51.1 Å²	51.1	33%	0.332	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-62.9	-19.3	178.5	-54.5	88.5	161.4	0	0	112.5	M251 F278 S279	M251-E253 VanDerWaalsContact C-OE2 3.28Å; M251-E253 PolarHBondContact O-N 2.88Å; E253-F278 HydrophobicContact CB-CD1 4.12Å; E253-F278 HydrophobicContact CB-CD2 4.11Å; E253-F278 HydrophobicContact CB-CE1 4.2Å; E253-F278 HydrophobicContact CB-CE2 4.15Å; E253-F278 HydrophobicContact CB-CG 4.08Å; E253-F278 HydrophobicContact CB-CZ 4.19Å; E253-F278 HydrophobicContact CG-CD1 4.31Å; E253-F278 HydrophobicContact CG-CG 4.4Å; E253-S279 WeakPolarHBondContact OE1-CB 3.17Å; E253-S279 PolarHBondContact OE1-N 3.03Å; E253-S279 PolarHBondContact OE1-OG 3.37Å; E253-S279 PolarHBondContact OE2-N 3.1Å
254	L	96.6	Very high	95.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-78.7	-28.5	174.5	-73.5	175	0	0	0	113	I219 F245 M251 V252 G256 C257 I272 F278	I219-L254 HydrophobicContact CD1-CD1 3.48Å; I219-L254 VanDerWaalsContact CD1-CD1 3.48Å; I219-L254 HydrophobicContact CG2-CD1 4.19Å; F245-L254 HydrophobicContact CB-CB 3.96Å; F245-L254 WeakPolarHBondContact CB-O 3.46Å; F245-L254 HydrophobicContact CD2-CB 4.3Å; F245-L254 HydrophobicContact CD2-CD2 4.07Å; F245-L254 HydrophobicContact CE2-CD2 4.29Å; F245-L254 HydrophobicContact CG-CB 4.1Å; M251-L254 HydrophobicContact CG-CD1 3.89Å; M251-L254 HydrophobicContact CG-CG 4.18Å; M251-L254 PolarHBondContact O-N 2.73Å; M251-L254 HydrophobicContact SD-CD1 3.45Å; M251-L254 WeakPolarHBondContact SD-CD1 3.33Å; M251-L254 HydrophobicContact SD-CG 4.18Å; V252-L254 PolarHBondContact O-N 3.26Å; L254-G256 PolarHBondContact O-N 2.89Å; L254-C257 WeakPolarHBondContact O-CB 3.37Å; L254-C257 PolarHBondContact O-N 3.33Å; L254-C257 VanDerWaalsContact O-N 3.11Å; L254-C257 PolarHBondContact O-SG 2.83Å; L254-C257 VanDerWaalsContact O-SG 3.33Å; L254-I272 HydrophobicContact CD1-CD1 4.14Å; L254-I272 HydrophobicContact CD2-CD1 3.66Å; L254-F278 HydrophobicContact CD2-CD2 4.28Å; L254-F278 HydrophobicContact CD2-CE2 3.71Å; L254-F278 HydrophobicContact CG-CD2 4.1Å; L254-F278 HydrophobicContact CG-CE2 3.98Å
255	N	95.6	Very high	95.4	Very high	58 Å²	58	55.9 Å²	55.9	31%	0.31	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-66.9	119.5	-174.4	-67.1	-43.8	0	0	0	111.1	F245 S246 E247 V248 V252 C257	F245-N255 WeakPolarHBondContact O-CA 3.31Å; S246-N255 WeakPolarHBondContact CA-OD1 3.32Å; E247-N255 PolarHBondContact N-OD1 3.25Å; E247-N255 VanDerWaalsContact N-OD1 3.11Å; V248-N255 WeakPolarHBondContact CB-OD1 3.45Å; V248-N255 PolarHBondContact N-OD1 3.34Å; V248-N255 PolarHBondContact O-ND2 2.9Å; V252-N255 WeakPolarHBondContact O-CB 3.49Å; V252-N255 PolarHBondContact O-N 3.42Å; N255-C257 PolarHBondContact O-N 3.33Å
256	G	92.4	Very high	95.3	Very high	67 Å²	67	56.7 Å²	56.7	69%	0.691	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	21.2	-177.7	0	0	0	0	0	113.9	F245 L254	F245-G256 PolarHBondContact O-N 2.81Å; L254-G256 PolarHBondContact O-N 2.89Å
257	C	93.3	Very high	95.3	Very high	24 Å²	24	57.8 Å²	57.8	16%	0.162	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-67.4	158.8	178.9	75.5	0	0	0	0	112.2	T244 L254 N255	T244-C257 PolarHBondContact OG1-O 3.09Å; L254-C257 WeakPolarHBondContact O-CB 3.37Å; L254-C257 PolarHBondContact O-N 3.33Å; L254-C257 VanDerWaalsContact O-N 3.11Å; L254-C257 PolarHBondContact O-SG 2.83Å; L254-C257 VanDerWaalsContact O-SG 3.33Å; N255-C257 PolarHBondContact O-N 3.33Å
258	E	95	Very high	95.5	Very high	154 Å²	154	58.1 Å²	58.1	72%	0.72	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-53.1	144.7	166.4	-73.3	-62.6	144.8	0	0	110.7	R260	E258-R260 WeakPolarHBondContact O-CG 3.2Å; E258-R260 PolarHBondContact O-N 3.46Å
259	P	96.1	Very high	95.6	Very high	41 Å²	41	59.3 Å²	59.3	27%	0.266	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-55.9	127.7	-175.4	-24.7	33.5	0	0	0	112.2	Y242 V243 V290 M292	Y242-P259 HydrophobicContact CD1-CB 4.13Å; Y242-P259 HydrophobicContact CG-CB 4.43Å; V243-P259 CarbonylContact O-C 3.24Å; V243-P259 WeakPolarHBondContact O-CA 3.44Å; P259-V290 HydrophobicContact CB-CB 4.22Å; P259-V290 HydrophobicContact CB-CG1 4.37Å; P259-V290 HydrophobicContact CB-CG2 4.39Å; P259-V290 HydrophobicContact CG-CB 4.24Å; P259-V290 HydrophobicContact CG-CG1 3.91Å; P259-V290 HydrophobicContact CG-CG2 4.29Å; P259-M292 HydrophobicContact CB-SD 4.15Å; P259-M292 HydrophobicContact CG-SD 4.25Å
260	R	96.6	Very high	95.8	Very high	51 Å²	51	53.6 Å²	53.6	19%	0.192	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.3	-178.3	-59.1	-170.8	68.4	133.9	-1.6	110.5	Y242 V243 E258 I272 D274 F278	Y242-R260 CarbonylContact C-O 3.26Å; Y242-R260 VanDerWaalsContact CA-O 3.3Å; Y242-R260 WeakPolarHBondContact CA-O 3.4Å; V243-R260 PolarHBondContact N-O 2.9Å; V243-R260 PolarHBondContact O-N 3.01Å; E258-R260 WeakPolarHBondContact O-CG 3.2Å; E258-R260 PolarHBondContact O-N 3.46Å; R260-I272 HydrophobicContact CB-CB 4.3Å; R260-I272 PolarHBondContact NE-O 3.44Å; R260-I272 PolarHBondContact NH2-O 3.34Å; R260-D274 PolarHBondContact NH2-O 3.33Å; R260-F278 VanDerWaalsContact NH1-CE2 3.33Å; R260-F278 VanDerWaalsContact NH1-CZ 3.27Å
261	R	97.4	Very high	96	Very high	152 Å²	152	53.1 Å²	53.1	57%	0.574	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	132	-180	-168.7	177.7	-177.6	-136.3	-3.5	110.9	D241 Y242	D241-R261 CarbonylContact O-C 3.34Å; D241-R261 WeakPolarHBondContact O-CA 3.49Å; Y242-R261 HydrophobicContact CD1-CB 4.29Å; Y242-R261 HydrophobicContact CE1-CB 3.87Å; Y242-R261 HydrophobicContact CE1-CG 4.4Å; Y242-R261 HydrophobicContact CE2-CG 4.49Å
262	V	97.2	Very high	96	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-86.6	138.2	178.1	176.7	0	0	0	0	110.5	F237 G240 D241 V243 V264 F270 S271	F237-V262 HydrophobicContact CB-CG1 4.19Å; G240-V262 PolarHBondContact N-O 3.33Å; D241-V262 HydrophobicContact CB-CB 4.29Å; D241-V262 HydrophobicContact CB-CG2 4.34Å; D241-V262 WeakPolarHBondContact O-CB 3.49Å; D241-V262 PolarHBondContact O-N 3.37Å; V243-V262 HydrophobicContact CB-CG2 4.22Å; V243-V262 HydrophobicContact CG1-CG2 3.53Å; V243-V262 HydrophobicContact CG2-CG2 3.71Å; V262-V264 HydrophobicContact CG1-CG2 4.09Å; V262-F270 HydrophobicContact CG1-CB 3.92Å; V262-F270 HydrophobicContact CG1-CD2 4.04Å; V262-F270 HydrophobicContact CG1-CG 4.22Å; V262-F270 HydrophobicContact CG2-CD2 4.3Å; V262-S271 WeakPolarHBondContact CA-O 3.38Å
263	T	97.9	Very high	96	Very high	74 Å²	74	50.6 Å²	50.6	45%	0.454	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.3	160.4	-55.6	0	0	0	0	108.3	D239 F270 S271	D239-T263 WeakPolarHBondContact OD1-CA 3.23Å; T263-F270 CarbonylContact O-C 3.53Å; T263-F270 WeakPolarHBondContact O-CA 3.44Å; T263-S271 PolarHBondContact N-O 2.98Å; T263-S271 PolarHBondContact O-N 2.98Å
264	V	97.1	Very high	96	Very high	44 Å²	44	50.9 Å²	50.9	27%	0.267	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.1	-175	177.8	0	0	0	0	109.4	D239 V262 G266	D239-V264 PolarHBondContact OD1-N 3.46Å; V262-V264 HydrophobicContact CG1-CG2 4.09Å; V264-G266 VanDerWaalsContact CG1-O 3.32Å; V264-G266 WeakPolarHBondContact CG1-O 3.15Å
265	V	96.4	Very high	96	Very high	92 Å²	92	51 Å²	51	56%	0.558	30%	0.297	S	S	*	.			trans	-107.2	-38.5	177.9	-179.3	0	0	0	0	110.6	L226 V269	L226-V265 HydrophobicContact CD2-CG2 3.96Å; V265-V269 HydrophobicContact CB-CB 4.42Å; V265-V269 HydrophobicContact CB-CG1 4.16Å; V265-V269 WeakPolarHBondContact CB-O 3.33Å; V265-V269 HydrophobicContact CG1-CG1 4.42Å; V265-V269 PolarHBondContact N-O 2.66Å
266	G	94.8	Very high	96	Very high	22 Å²	22	49.9 Å²	49.9	23%	0.227	30%	0.295	C	S	.	.	S	Bend	trans	-153.3	-169.3	177.2	0	0	0	0	0	110.9	H235 V264 D268 V269	H235-G266 PolarHBondContact CE1-O 2.72Å; H235-G266 PolarHBondContact NE2-O 2.85Å; V264-G266 VanDerWaalsContact CG1-O 3.32Å; V264-G266 WeakPolarHBondContact CG1-O 3.15Å; G266-D268 VanDerWaalsContact C-N 3.27Å; G266-D268 PolarHBondContact O-N 3.33Å; G266-V269 PolarHBondContact N-O 3.23Å
267	P	94.6	Very high	96.1	Very high	72 Å²	72	53.9 Å²	53.9	47%	0.468	30%	0.3	S	S	.	.	S	Bend	trans	-73.3	-18	176.9	29.8	-34.5	0	0	0	114.1	R234 H235	R234-P267 VanDerWaalsContact CA-O 3.32Å; R234-P267 WeakPolarHBondContact CA-O 3.35Å; R234-P267 HydrophobicContact CG-CB 4.36Å; H235-P267 PolarHBondContact CD2-O 2.9Å; H235-P267 PolarHBondContact N-O 3.27Å; H235-P267 PolarHBondContact NE2-O 3.47Å
268	D	95.2	Very high	96.3	Very high	70 Å²	70	54.8 Å²	54.8	37%	0.374	30%	0.301	S	S	.	.	S	Bend	trans	-128.7	-2	-172.8	60.5	-28.4	0	0	0	112.8	C229 G266	C229-D268 HydrophobicContact CB-CB 4.4Å; C229-D268 WeakPolarHBondContact CB-O 3.4Å; C229-D268 PolarHBondContact N-O 3.37Å; C229-D268 PolarHBondContact SG-O 3.38Å; G266-D268 VanDerWaalsContact C-N 3.27Å; G266-D268 PolarHBondContact O-N 3.33Å
269	V	96.7	Very high	96.3	Very high	27 Å²	27	49.9 Å²	49.9	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.9	-178.1	-177.5	0	0	0	0	110.8	L226 V227 T228 V265 G266	L226-V269 HydrophobicContact CB-CG1 4.41Å; L226-V269 HydrophobicContact CD2-CG1 4.36Å; V227-V269 WeakPolarHBondContact O-CA 3.43Å; T228-V269 HydrophobicContact CG2-CG2 4.11Å; V265-V269 HydrophobicContact CB-CB 4.42Å; V265-V269 HydrophobicContact CB-CG1 4.16Å; V265-V269 WeakPolarHBondContact CB-O 3.33Å; V265-V269 HydrophobicContact CG1-CG1 4.42Å; V265-V269 PolarHBondContact N-O 2.66Å; G266-V269 PolarHBondContact N-O 3.23Å
270	F	97.5	Very high	96.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	159.5	176.3	61.3	-83.6	0	0	0	111.8	L226 V227 H235 F237 V243 F245 V262 T263 I272 C287	L226-F270 WeakPolarHBondContact CA-O 3.3Å; V227-F270 HydrophobicContact CB-CD1 4.38Å; V227-F270 HydrophobicContact CB-CD2 4.22Å; V227-F270 HydrophobicContact CB-CE1 3.91Å; V227-F270 HydrophobicContact CB-CE2 3.74Å; V227-F270 HydrophobicContact CB-CZ 3.55Å; V227-F270 HydrophobicContact CG1-CE1 3.83Å; V227-F270 HydrophobicContact CG1-CE2 4.12Å; V227-F270 HydrophobicContact CG1-CZ 3.47Å; V227-F270 VanDerWaalsContact CG1-CZ 3.47Å; V227-F270 HydrophobicContact CG2-CE2 3.93Å; V227-F270 HydrophobicContact CG2-CZ 4.15Å; V227-F270 PolarHBondContact N-O 3.41Å; V227-F270 PolarHBondContact O-N 2.84Å; V227-F270 VanDerWaalsContact O-N 3.1Å; H235-F270 HydrophobicContact CB-CD1 4.36Å; H235-F270 HydrophobicContact CB-CE1 4.3Å; H235-F270 AromaticContact CD2-CD1 3.63Å; F237-F270 HydrophobicContact CD2-CD1 4.13Å; F237-F270 HydrophobicContact CD2-CD2 4.49Å; F237-F270 HydrophobicContact CD2-CE1 4.04Å; F237-F270 HydrophobicContact CD2-CE2 4.4Å; F237-F270 HydrophobicContact CD2-CG 4.37Å; F237-F270 HydrophobicContact CD2-CZ 4.19Å; F237-F270 HydrophobicContact CE2-CD1 4.33Å; F237-F270 AromaticContact CE2-CE1 3.77Å; F237-F270 HydrophobicContact CE2-CE1 3.77Å; F237-F270 HydrophobicContact CE2-CE2 4.22Å; F237-F270 AromaticContact CE2-CZ 3.72Å; F237-F270 HydrophobicContact CE2-CZ 3.72Å; V243-F270 HydrophobicContact CG2-CE2 4.4Å; F245-F270 HydrophobicContact CZ-CE2 4.45Å; V262-F270 HydrophobicContact CG1-CB 3.92Å; V262-F270 HydrophobicContact CG1-CD2 4.04Å; V262-F270 HydrophobicContact CG1-CG 4.22Å; V262-F270 HydrophobicContact CG2-CD2 4.3Å; T263-F270 CarbonylContact O-C 3.53Å; T263-F270 WeakPolarHBondContact O-CA 3.44Å; F270-I272 HydrophobicContact CD2-CG2 3.96Å; F270-I272 HydrophobicContact CE2-CG2 3.74Å; F270-C287 HydrophobicContact CZ-CB 4.18Å
271	S	97.8	Very high	96.3	Very high	8 Å²	8	51.3 Å²	51.3	6%	0.056	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.2	176.9	-171.5	0	0	0	0	111.5	G225 V262 T263	G225-S271 WeakPolarHBondContact O-CA 3.49Å; V262-S271 WeakPolarHBondContact CA-O 3.38Å; T263-S271 PolarHBondContact N-O 2.98Å; T263-S271 PolarHBondContact O-N 2.98Å
272	I	97	Very high	96	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	30%	0.299	C	S	.	.			trans	-116.7	16.3	175.1	59.9	170.5	0	0	0	113.6	G225 V227 V243 F245 L254 R260 F270 T275	G225-I272 PolarHBondContact O-N 3.45Å; G225-I272 VanDerWaalsContact O-N 3.08Å; V227-I272 HydrophobicContact CG2-CD1 3.99Å; V227-I272 HydrophobicContact CG2-CG1 4.11Å; V227-I272 HydrophobicContact CG2-CG2 4.08Å; V243-I272 HydrophobicContact CG2-CG2 4.03Å; F245-I272 HydrophobicContact CE2-CD1 3.8Å; F245-I272 HydrophobicContact CE2-CG2 4.1Å; F245-I272 HydrophobicContact CZ-CD1 3.74Å; F245-I272 HydrophobicContact CZ-CG2 3.82Å; L254-I272 HydrophobicContact CD1-CD1 4.14Å; L254-I272 HydrophobicContact CD2-CD1 3.66Å; R260-I272 HydrophobicContact CB-CB 4.3Å; R260-I272 PolarHBondContact NE-O 3.44Å; R260-I272 PolarHBondContact NH2-O 3.34Å; F270-I272 HydrophobicContact CD2-CG2 3.96Å; F270-I272 HydrophobicContact CE2-CG2 3.74Å; I272-T275 HydrophobicContact CD1-CG2 4.14Å; I272-T275 HydrophobicContact CG1-CG2 4.27Å
273	G	95.1	Very high	95.6	Very high	31 Å²	31	52.3 Å²	52.3	32%	0.32	32%	0.316	S	S	.	.	S	Bend	trans	79.7	-157.2	-175.2	0	0	0	0	0	113.3	K223 G225 T275	K223-G273 CarbonylContact O-C 3.58Å; G225-G273 PolarHBondContact N-O 3.01Å; G273-T275 PolarHBondContact O-N 3Å
274	D	96.4	Very high	95.1	Very high	77 Å²	77	50.4 Å²	50.4	41%	0.412	31%	0.311	S	S	.	.			trans	-70.5	129.8	-168	-158.8	-13.1	0	0	0	112.8	K223 R260 S276	K223-D274 WeakPolarHBondContact CA-OD1 3.5Å; K223-D274 WeakPolarHBondContact O-CA 3.39Å; K223-D274 PolarHBondContact O-N 3.4Å; R260-D274 PolarHBondContact NH2-O 3.33Å; D274-S276 WeakPolarHBondContact OD1-CB 3.19Å; D274-S276 PolarHBondContact OD1-N 3.33Å; D274-S276 PolarHBondContact OD1-OG 2.87Å
275	T	96.6	Very high	94.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	30%	0.301	C	S	.	.			trans	-128.7	8.7	174.8	55.5	0	0	0	0	111.4	E220 S222 G225 M251 I272 G273 D277 F278	E220-T275 PolarHBondContact O-OG1 2.89Å; S222-T275 PolarHBondContact N-OG1 2.87Å; S222-T275 PolarHBondContact O-N 3.19Å; S222-T275 PolarHBondContact O-OG1 3.01Å; G225-T275 WeakPolarHBondContact CA-OG1 3.19Å; M251-T275 HydrophobicContact SD-CG2 4.4Å; I272-T275 HydrophobicContact CD1-CG2 4.14Å; I272-T275 HydrophobicContact CG1-CG2 4.27Å; G273-T275 PolarHBondContact O-N 3Å; T275-D277 PolarHBondContact O-N 3.1Å; T275-D277 VanDerWaalsContact O-N 3.14Å; T275-F278 HydrophobicContact CG2-CD2 4.08Å; T275-F278 HydrophobicContact CG2-CE2 4.33Å; T275-F278 WeakPolarHBondContact O-CB 3.35Å; T275-F278 PolarHBondContact O-N 3.33Å
276	S	95.2	Very high	94.6	Very high	36 Å²	36	45.3 Å²	45.3	25%	0.252	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.4	-173.4	-52.7	0	0	0	0	113.3	K221 S222 K223 D274	K221-S276 WeakPolarHBondContact CE-O 3.38Å; S222-S276 PolarHBondContact O-N 3.12Å; S222-S276 PolarHBondContact O-OG 3.05Å; K223-S276 PolarHBondContact N-OG 3.41Å; K223-S276 VanDerWaalsContact N-OG 3.11Å; D274-S276 WeakPolarHBondContact OD1-CB 3.19Å; D274-S276 PolarHBondContact OD1-N 3.33Å; D274-S276 PolarHBondContact OD1-OG 2.87Å
277	D	95	Very high	94.6	Very high	150 Å²	150	44.3 Å²	44.3	80%	0.802	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-2.3	-179.7	-65.2	-26.8	0	0	0	113.2	T275	T275-D277 PolarHBondContact O-N 3.1Å; T275-D277 VanDerWaalsContact O-N 3.14Å
278	F	96	Very high	94.7	Very high	43 Å²	43	42.8 Å²	42.8	19%	0.189	26%	0.259	C	S	.	.	S	Bend	trans	-86.6	164.3	-176.3	-66.5	0.7	0	0	0	112.1	K221 M251 E253 L254 R260 T275	K221-F278 VanDerWaalsContact CD-O 3.31Å; K221-F278 WeakPolarHBondContact CD-O 3.23Å; K221-F278 WeakPolarHBondContact CE-O 3.49Å; K221-F278 PolarHBondContact NZ-O 2.98Å; M251-F278 HydrophobicContact CG-CB 3.83Å; M251-F278 HydrophobicContact CG-CD2 4Å; M251-F278 HydrophobicContact CG-CG 4.43Å; M251-F278 HydrophobicContact SD-CB 4.24Å; M251-F278 HydrophobicContact SD-CD2 4.07Å; E253-F278 HydrophobicContact CB-CD1 4.12Å; E253-F278 HydrophobicContact CB-CD2 4.11Å; E253-F278 HydrophobicContact CB-CE1 4.2Å; E253-F278 HydrophobicContact CB-CE2 4.15Å; E253-F278 HydrophobicContact CB-CG 4.08Å; E253-F278 HydrophobicContact CB-CZ 4.19Å; E253-F278 HydrophobicContact CG-CD1 4.31Å; E253-F278 HydrophobicContact CG-CG 4.4Å; L254-F278 HydrophobicContact CD2-CD2 4.28Å; L254-F278 HydrophobicContact CD2-CE2 3.71Å; L254-F278 HydrophobicContact CG-CD2 4.1Å; L254-F278 HydrophobicContact CG-CE2 3.98Å; R260-F278 VanDerWaalsContact NH1-CE2 3.33Å; R260-F278 VanDerWaalsContact NH1-CZ 3.27Å; T275-F278 HydrophobicContact CG2-CD2 4.08Å; T275-F278 HydrophobicContact CG2-CE2 4.33Å; T275-F278 WeakPolarHBondContact O-CB 3.35Å; T275-F278 PolarHBondContact O-N 3.33Å
279	S	95.9	Very high	94.7	Very high	52 Å²	52	40.5 Å²	40.5	36%	0.364	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-65.7	154.1	171.2	-60	0	0	0	0	111.2	G250 M251 E253	G250-S279 WeakPolarHBondContact O-CB 3.38Å; M251-S279 WeakPolarHBondContact CB-O 3.33Å; M251-S279 VanDerWaalsContact CE-O 3.23Å; M251-S279 WeakPolarHBondContact CE-O 3.21Å; M251-S279 VanDerWaalsContact CG-O 3.28Å; M251-S279 WeakPolarHBondContact CG-O 3.36Å; E253-S279 WeakPolarHBondContact OE1-CB 3.17Å; E253-S279 PolarHBondContact OE1-N 3.03Å; E253-S279 PolarHBondContact OE1-OG 3.37Å; E253-S279 PolarHBondContact OE2-N 3.1Å
280	S	95.8	Very high	94.5	Very high	78 Å²	78	41.4 Å²	41.4	55%	0.545	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-70.9	136.3	-178.4	-63.4	0	0	0	0	111.3	G250	G250-S280 CarbonylContact C-O 3.55Å; G250-S280 WeakPolarHBondContact CA-O 3.49Å
281	Y	96	Very high	94.3	Very high	43 Å²	43	43.7 Å²	43.7	17%	0.169	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-58.9	140.1	172.9	174.5	-94.2	0	0	0	111.5	I216 Q217 Q218 I219 V248 S283 G284	I216-Y281 HydrophobicContact CG2-CE2 4.23Å; I216-Y281 PolarHBondContact O-OH 3.44Å; Q217-Y281 VanDerWaalsContact C-OH 3.27Å; Q217-Y281 VanDerWaalsContact O-CE1 3.24Å; Q217-Y281 WeakPolarHBondContact O-CE1 3.46Å; Q217-Y281 VanDerWaalsContact O-CZ 3.3Å; Q217-Y281 PolarHBondContact O-OH 2.68Å; Q218-Y281 HydrophobicContact CB-CE1 4.34Å; Q218-Y281 HydrophobicContact CG-CD1 4.27Å; I219-Y281 HydrophobicContact CB-CD2 4.07Å; I219-Y281 HydrophobicContact CB-CG 4.29Å; I219-Y281 HydrophobicContact CD1-CD2 4.13Å; I219-Y281 HydrophobicContact CD1-CE2 4.47Å; I219-Y281 HydrophobicContact CG1-CD2 3.86Å; I219-Y281 HydrophobicContact CG1-CE2 4.18Å; I219-Y281 WeakPolarHBondContact O-CB 3.42Å; V248-Y281 HydrophobicContact CG1-CD2 4.02Å; V248-Y281 HydrophobicContact CG1-CE2 4.32Å; Y281-S283 VanDerWaalsContact CZ-CA 3.4Å; Y281-S283 VanDerWaalsContact OH-C 3.28Å; Y281-S283 WeakPolarHBondContact OH-CA 3.33Å; Y281-G284 VanDerWaalsContact CE2-O 3.28Å; Y281-G284 WeakPolarHBondContact CE2-O 3.31Å; Y281-G284 PolarHBondContact OH-N 3.17Å; Y281-G284 VanDerWaalsContact OH-N 3.08Å; Y281-G284 PolarHBondContact OH-O 3.03Å
282	I	92.1	Very high	93.9	Very high	122 Å²	122	47.3 Å²	47.3	63%	0.626	28%	0.279	S	S	*	.			trans	-113	-61.8	174.8	-66	170	0	0	0	110.1	K249	K249-I282 HydrophobicContact CB-CB 4.44Å; K249-I282 PolarHBondContact O-N 2.89Å
283	S	88.8	Confident	93.7	Very high	52 Å²	52	50.8 Å²	50.8	36%	0.364	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-167.9	166.8	-177.1	61.7	0	0	0	0	112.6	K249 Y281	K249-S283 VanDerWaalsContact CB-O 3.29Å; K249-S283 WeakPolarHBondContact CB-O 3.36Å; K249-S283 PolarHBondContact N-O 3.43Å; K249-S283 PolarHBondContact O-N 3.46Å; Y281-S283 VanDerWaalsContact CZ-CA 3.4Å; Y281-S283 VanDerWaalsContact OH-C 3.28Å; Y281-S283 WeakPolarHBondContact OH-CA 3.33Å
284	G	86.9	Confident	93.6	Very high	33 Å²	33	53.1 Å²	53.1	34%	0.34	31%	0.307	S	S	.	.			trans	69.1	-169.4	171.6	0	0	0	0	0	113.9	Y281	Y281-G284 VanDerWaalsContact CE2-O 3.28Å; Y281-G284 WeakPolarHBondContact CE2-O 3.31Å; Y281-G284 PolarHBondContact OH-N 3.17Å; Y281-G284 VanDerWaalsContact OH-N 3.08Å; Y281-G284 PolarHBondContact OH-O 3.03Å
285	G	90.8	Very high	93.6	Very high	6 Å²	6	56 Å²	56	6%	0.062	32%	0.315	C	S	.	.			trans	114.3	143.1	178.1	0	0	0	0	0	113.2	I216 S246 E247	I216-G285 PolarHBondContact N-O 3.44Å; S246-G285 CarbonylContact O-C 3.47Å; S246-G285 VanDerWaalsContact O-CA 3.22Å; S246-G285 WeakPolarHBondContact O-CA 3.4Å; E247-G285 PolarHBondContact O-N 3.45Å
286	M	92.3	Very high	93.6	Very high	24 Å²	24	56.5 Å²	56.5	12%	0.118	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.2	173.8	-73.5	-64.2	-55.9	0	0	108.3	S213 V214 M215 F245 S246	S213-M286 WeakPolarHBondContact OG-CE 3.35Å; V214-M286 WeakPolarHBondContact O-CA 3.43Å; M215-M286 HydrophobicContact CB-SD 4.15Å; M215-M286 HydrophobicContact CG-CE 4.44Å; M215-M286 HydrophobicContact CG-SD 3.24Å; M215-M286 WeakPolarHBondContact CG-SD 3.4Å; F245-M286 WeakPolarHBondContact CA-O 3.38Å; S246-M286 PolarHBondContact N-O 2.81Å; S246-M286 PolarHBondContact O-N 2.94Å
287	C	95.4	Very high	93.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.8	170.3	-178.4	0	0	0	0	108.6	S213 V214 I216 V243 F245 F270	S213-C287 CarbonylContact C-O 3.6Å; S213-C287 VanDerWaalsContact CA-O 3.28Å; S213-C287 WeakPolarHBondContact CA-O 3.49Å; S213-C287 PolarHBondContact OG-O 3.34Å; V214-C287 HydrophobicContact CG1-CB 3.92Å; V214-C287 PolarHBondContact N-O 3.42Å; V214-C287 PolarHBondContact O-N 2.91Å; I216-C287 HydrophobicContact CD1-CB 4.04Å; I216-C287 HydrophobicContact CG1-CB 4.21Å; V243-C287 WeakPolarHBondContact CB-SG 3.41Å; F245-C287 HydrophobicContact CD1-CB 4.11Å; F245-C287 HydrophobicContact CE1-CB 3.77Å; F245-C287 HydrophobicContact CZ-CB 4.36Å; F270-C287 HydrophobicContact CZ-CB 4.18Å
288	T	95.4	Very high	93.9	Very high	41 Å²	41	51.8 Å²	51.8	25%	0.252	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.9	-178.8	-56.3	0	0	0	0	110.6	P211 S213 V243 T244	P211-T288 HydrophobicContact CB-CG2 4.5Å; S213-T288 PolarHBondContact OG-OG1 2.9Å; V243-T288 CarbonylContact C-O 3.56Å; V243-T288 VanDerWaalsContact CA-O 3.27Å; V243-T288 WeakPolarHBondContact CA-O 3.34Å; T244-T288 PolarHBondContact N-O 2.91Å; T244-T288 PolarHBondContact O-N 3.29Å
289	L	95.6	Very high	94	Very high	22 Å²	22	53.1 Å²	53.1	12%	0.115	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	137.3	174	-176.5	143.5	0	0	0	110.9	P211 P212 F237 D241 Y242 K291	P211-L289 HydrophobicContact CB-CB 4.23Å; P211-L289 HydrophobicContact CB-CD2 4.1Å; P211-L289 VanDerWaalsContact CB-O 3.24Å; P211-L289 WeakPolarHBondContact CB-O 3.45Å; P212-L289 PolarHBondContact O-N 3.35Å; F237-L289 HydrophobicContact CD1-CB 4.23Å; F237-L289 HydrophobicContact CD1-CD1 3.98Å; F237-L289 HydrophobicContact CE1-CB 3.89Å; F237-L289 HydrophobicContact CE1-CD1 4.47Å; D241-L289 HydrophobicContact CB-CD1 4.07Å; D241-L289 WeakPolarHBondContact OD2-CD1 3.22Å; Y242-L289 CarbonylContact O-C 3.55Å; Y242-L289 WeakPolarHBondContact O-CA 3.48Å; L289-K291 HydrophobicContact CD2-CG 3.86Å
290	V	94.1	Very high	94.1	Very high	45 Å²	45	52.4 Å²	52.4	27%	0.273	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.9	173.8	-177.4	0	0	0	0	108.2	Y242 T244 P259 M292	Y242-V290 PolarHBondContact O-N 3.36Å; T244-V290 HydrophobicContact CG2-CG2 3.69Å; P259-V290 HydrophobicContact CB-CB 4.22Å; P259-V290 HydrophobicContact CB-CG1 4.37Å; P259-V290 HydrophobicContact CB-CG2 4.39Å; P259-V290 HydrophobicContact CG-CB 4.24Å; P259-V290 HydrophobicContact CG-CG1 3.91Å; P259-V290 HydrophobicContact CG-CG2 4.29Å; V290-M292 HydrophobicContact CG1-SD 4.3Å; V290-M292 PolarHBondContact O-N 2.77Å
291	K	91.6	Very high	94.2	Very high	48 Å²	48	48.7 Å²	48.7	21%	0.209	27%	0.267	C	S	.	.			trans	-74.4	113.5	175.2	-65	-176.4	-179.6	-177.8	0	109.3	D205 T207 E209 L289	D205-K291 HydrophobicContact CB-CD 4.27Å; D205-K291 VanDerWaalsContact OD1-CD 3.32Å; D205-K291 WeakPolarHBondContact OD1-CD 3.4Å; D205-K291 WeakPolarHBondContact OD1-CE 3.41Å; D205-K291 IonicContact OD1-NZ 3.59Å; D205-K291 PolarHBondContact OD1-NZ 3.16Å; D205-K291 IonicContact OD2-NZ 2.67Å; D205-K291 PolarHBondContact OD2-NZ 3.29Å; T207-K291 PolarHBondContact OG1-NZ 3.15Å; E209-K291 WeakPolarHBondContact O-CE 3.29Å; E209-K291 PolarHBondContact O-NZ 3.34Å; L289-K291 HydrophobicContact CD2-CG 3.86Å
292	M	90.7	Very high	94.2	Very high	85 Å²	85	50.8 Å²	50.8	42%	0.419	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-79.6	138.9	176.2	-62.7	-56.3	-69.7	0	0	110.5	Y242 P259 V290 L294	Y242-M292 HydrophobicContact CD1-CG 4.42Å; Y242-M292 HydrophobicContact CD2-CG 3.46Å; Y242-M292 VanDerWaalsContact CD2-CG 3.46Å; Y242-M292 HydrophobicContact CE2-CG 4.09Å; Y242-M292 HydrophobicContact CG-CG 3.66Å; Y242-M292 HydrophobicContact CG-SD 4.15Å; P259-M292 HydrophobicContact CB-SD 4.15Å; P259-M292 HydrophobicContact CG-SD 4.25Å; V290-M292 HydrophobicContact CG1-SD 4.3Å; V290-M292 PolarHBondContact O-N 2.77Å; M292-L294 PolarHBondContact O-N 3.04Å
293	P	92.2	Very high	94.4	Very high	78 Å²	78	48.3 Å²	48.3	51%	0.506	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-59.8	131.7	175.8	-22.9	32.6	0	0	0	112	V202 V203	V202-P293 HydrophobicContact CG1-CB 3.83Å; V203-P293 CarbonylContact O-C 3.6Å; V203-P293 VanDerWaalsContact O-CA 3.27Å; V203-P293 WeakPolarHBondContact O-CA 3.32Å
294	L	92.9	Very high	94.8	Very high	80 Å²	80	45.9 Å²	45.9	42%	0.419	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.9	176.4	175	67.4	0	0	0	109.7	V203 M292 I296	V203-L294 HydrophobicContact CB-CB 4.26Å; V203-L294 PolarHBondContact N-O 3.07Å; V203-L294 PolarHBondContact O-N 3.35Å; M292-L294 PolarHBondContact O-N 3.04Å; L294-I296 HydrophobicContact CD2-CD1 4.01Å; L294-I296 HydrophobicContact CD2-CG1 4.06Å; L294-I296 HydrophobicContact CG-CD1 4.46Å; L294-I296 HydrophobicContact CG-CG1 4.03Å
295	K	96	Very high	95.2	Very high	137 Å²	137	44.7 Å²	44.7	60%	0.596	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.8	171.8	-69.2	-173.7	178.4	-174.2	0	110.5	F201 V202	F201-K295 CarbonylContact O-C 3.39Å; F201-K295 WeakPolarHBondContact O-CA 3.28Å; V202-K295 HydrophobicContact CG2-CG 4.41Å
296	I	96.6	Very high	95.5	Very high	11 Å²	11	49 Å²	49	6%	0.056	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.7	179	-57.1	178.5	0	0	0	109.7	F201 V203 L294 F298 T414 P415 Q417	F201-I296 PolarHBondContact N-O 3.43Å; F201-I296 PolarHBondContact O-N 3.19Å; V203-I296 HydrophobicContact CG2-CD1 3.7Å; V203-I296 HydrophobicContact CG2-CG1 4.33Å; L294-I296 HydrophobicContact CD2-CD1 4.01Å; L294-I296 HydrophobicContact CD2-CG1 4.06Å; L294-I296 HydrophobicContact CG-CD1 4.46Å; L294-I296 HydrophobicContact CG-CG1 4.03Å; I296-F298 HydrophobicContact CB-CE2 4.01Å; I296-F298 HydrophobicContact CG2-CD2 4.18Å; I296-F298 HydrophobicContact CG2-CE2 3.54Å; I296-F298 HydrophobicContact CG2-CZ 3.78Å; I296-T414 HydrophobicContact CD1-CG2 4.48Å; I296-P415 HydrophobicContact CD1-CG 4.46Å; I296-Q417 HydrophobicContact CG2-CG 4.41Å
297	N	97.8	Very high	95.7	Very high	83 Å²	83	50.7 Å²	50.7	44%	0.444	27%	0.266	S	S	.	.			trans	-111.4	128.9	177.4	-70.7	-61	0	0	0	110.7	D200 Q417	D200-N297 PolarHBondContact N-OD1 3.04Å; N297-Q417 PolarHBondContact O-NE2 3.43Å
298	F	98.5	Very high	95.8	Very high	5 Å²	5	51.6 Å²	51.6	2%	0.022	27%	0.272	C	S	.	.			trans	-105.9	140.5	178.3	-65.5	-97.9	0	0	0	110.3	R175 C195 F197 G198 F201 I296 P415 L416 Q417 Q418	R175-F298 PolarHBondContact NH1-O 2.92Å; R175-F298 VanDerWaalsContact NH1-O 3.14Å; R175-F298 PolarHBondContact NH2-O 3.22Å; C195-F298 HydrophobicContact CB-CE1 4.32Å; C195-F298 WeakPolarHBondContact O-CD1 3.29Å; F197-F298 HydrophobicContact CB-CD2 3.89Å; F197-F298 HydrophobicContact CB-CE2 3.74Å; F197-F298 HydrophobicContact CB-CG 4.45Å; F197-F298 HydrophobicContact CB-CZ 4.16Å; F197-F298 HydrophobicContact CD2-CE1 4.42Å; F197-F298 HydrophobicContact CD2-CE2 4.16Å; F197-F298 AromaticContact CD2-CZ 3.83Å; F197-F298 HydrophobicContact CD2-CZ 3.83Å; F197-F298 HydrophobicContact CG-CE1 4.49Å; F197-F298 HydrophobicContact CG-CE2 4.23Å; F197-F298 HydrophobicContact CG-CZ 4.14Å; G198-F298 WeakPolarHBondContact O-CB 3.48Å; G198-F298 WeakPolarHBondContact O-CD2 3.39Å; G198-F298 PolarHBondContact O-N 3.16Å; F201-F298 HydrophobicContact CB-CD2 4.36Å; F201-F298 HydrophobicContact CB-CE2 3.94Å; F201-F298 HydrophobicContact CD1-CE2 4.35Å; F201-F298 HydrophobicContact CG-CE2 4.31Å; I296-F298 HydrophobicContact CB-CE2 4.01Å; I296-F298 HydrophobicContact CG2-CD2 4.18Å; I296-F298 HydrophobicContact CG2-CE2 3.54Å; I296-F298 HydrophobicContact CG2-CZ 3.78Å; F298-P415 HydrophobicContact CE1-CB 4.35Å; F298-P415 HydrophobicContact CZ-CB 3.79Å; F298-P415 HydrophobicContact CZ-CG 4.17Å; F298-L416 WeakPolarHBondContact CE1-O 3.31Å; F298-Q417 HydrophobicContact CE1-CB 4.49Å; F298-Q418 HydrophobicContact CD1-CG 4.01Å
299	L	98.3	Very high	95.9	Very high	71 Å²	71	53.1 Å²	53.1	37%	0.372	28%	0.281	S	S	.	.			trans	-81.1	145.7	169.2	-59.5	174.2	0	0	0	110.3	R175 T303 A304 Q418	R175-L299 PolarHBondContact NH2-O 3.22Å; L299-T303 HydrophobicContact CD1-CG2 4.46Å; L299-T303 HydrophobicContact CD2-CG2 4.46Å; L299-A304 HydrophobicContact CB-CB 3.93Å; L299-Q418 VanDerWaalsContact N-NE2 3.15Å; L299-Q418 PolarHBondContact O-NE2 3.14Å
300	P	98.2	Very high	96	Very high	36 Å²	36	54.9 Å²	54.9	23%	0.234	29%	0.288	C	S	.	.			trans	-60.1	149.3	174.3	-23	33	0	0	0	111	R175 D196 Q302 T303 A304	R175-P300 HydrophobicContact CG-CG 4.42Å; D196-P300 WeakPolarHBondContact OD2-CA 3.34Å; P300-Q302 VanDerWaalsContact C-N 3.28Å; P300-Q302 PolarHBondContact O-N 2.8Å; P300-Q302 VanDerWaalsContact O-N 3.1Å; P300-T303 PolarHBondContact O-N 3.37Å; P300-A304 WeakPolarHBondContact O-CB 3.18Å; P300-A304 PolarHBondContact O-N 3.22Å
301	Y	97.8	Very high	96.1	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-43.7	-51.9	-175.7	-173.8	-86.5	0	0	0	113.2	E164 C167 V168 F181 V183 F194 T303 A304 Y305 W419	E164-Y301 PolarHBondContact OE2-OH 3.11Å; C167-Y301 HydrophobicContact CB-CD1 3.98Å; C167-Y301 HydrophobicContact CB-CD2 4.18Å; C167-Y301 HydrophobicContact CB-CE1 3.41Å; C167-Y301 VanDerWaalsContact CB-CE1 3.41Å; C167-Y301 HydrophobicContact CB-CE2 3.64Å; C167-Y301 HydrophobicContact CB-CG 4.36Å; C167-Y301 WeakPolarHBondContact CB-OH 3.22Å; V168-Y301 HydrophobicContact CG2-CD1 3.81Å; V168-Y301 HydrophobicContact CG2-CE1 4.06Å; F181-Y301 HydrophobicContact CE1-CD2 4.29Å; V183-Y301 HydrophobicContact CB-CE2 4.38Å; V183-Y301 HydrophobicContact CG2-CD2 4.14Å; V183-Y301 HydrophobicContact CG2-CE2 3.92Å; F194-Y301 AromaticContact CD1-CD2 3.51Å; F194-Y301 HydrophobicContact CD1-CD2 3.51Å; F194-Y301 AromaticContact CD1-CE2 3.99Å; F194-Y301 HydrophobicContact CD1-CE2 3.99Å; F194-Y301 AromaticContact CE1-CD2 3.52Å; F194-Y301 HydrophobicContact CE1-CD2 3.52Å; F194-Y301 HydrophobicContact CE1-CE2 4.43Å; F194-Y301 HydrophobicContact CE1-CG 4.27Å; F194-Y301 HydrophobicContact CG-CD2 4.08Å; F194-Y301 HydrophobicContact CG-CE2 4.22Å; F194-Y301 HydrophobicContact CZ-CD2 4.09Å; Y301-T303 PolarHBondContact O-N 2.85Å; Y301-A304 PolarHBondContact O-N 2.96Å; Y301-Y305 WeakPolarHBondContact O-CB 3.32Å; Y301-Y305 PolarHBondContact O-N 2.87Å; Y301-W419 HydrophobicContact CD2-CH2 4.29Å; Y301-W419 AromaticContact CE2-CH2 3.49Å; Y301-W419 HydrophobicContact CE2-CH2 3.49Å; Y301-W419 VanDerWaalsContact CE2-CH2 3.49Å; Y301-W419 HydrophobicContact CE2-CZ2 4.12Å; Y301-W419 HydrophobicContact CE2-CZ3 4.37Å; Y301-W419 AromaticContact CZ-CH2 3.65Å
302	Q	96	Very high	96.2	Very high	87 Å²	87	53.3 Å²	53.3	41%	0.407	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-44.3	-178.5	-172.1	171.1	9.3	0	0	112.2	V168 P300 Y305 Y306	V168-Q302 HydrophobicContact CG1-CB 4.27Å; V168-Q302 HydrophobicContact CG1-CG 4.44Å; V168-Q302 HydrophobicContact CG2-CB 4.37Å; P300-Q302 VanDerWaalsContact C-N 3.28Å; P300-Q302 PolarHBondContact O-N 2.8Å; P300-Q302 VanDerWaalsContact O-N 3.1Å; Q302-Y305 WeakPolarHBondContact O-CB 3.48Å; Q302-Y305 PolarHBondContact O-N 2.88Å; Q302-Y306 HydrophobicContact CG-CE2 4.28Å; Q302-Y306 WeakPolarHBondContact O-CD2 3.45Å
303	T	97.1	Very high	96.3	Very high	70 Å²	70	49.7 Å²	49.7	43%	0.429	26%	0.264	S	S	.	.	H	α-helix	trans	-68.7	-44.4	178.2	-50.9	0	0	0	0	111.6	L299 P300 Y301 Y305 Y306 S307	L299-T303 HydrophobicContact CD1-CG2 4.46Å; L299-T303 HydrophobicContact CD2-CG2 4.46Å; P300-T303 PolarHBondContact O-N 3.37Å; Y301-T303 PolarHBondContact O-N 2.85Å; T303-Y305 PolarHBondContact O-N 3.04Å; T303-Y306 PolarHBondContact O-N 3.26Å; T303-Y306 VanDerWaalsContact O-N 3.14Å; T303-S307 PolarHBondContact O-N 3.04Å
304	A	97.5	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-26.7	177.4	0	0	0	0	0	112.5	F194 L299 P300 Y301 S307 P308 Q418 W419	F194-A304 HydrophobicContact CE2-CB 3.59Å; F194-A304 HydrophobicContact CZ-CB 4.08Å; L299-A304 HydrophobicContact CB-CB 3.93Å; P300-A304 WeakPolarHBondContact O-CB 3.18Å; P300-A304 PolarHBondContact O-N 3.22Å; Y301-A304 PolarHBondContact O-N 2.96Å; A304-S307 CarbonylContact O-C 3.37Å; A304-P308 WeakPolarHBondContact O-CA 3.39Å; A304-Q418 VanDerWaalsContact CB-OE1 3.32Å; A304-W419 PolarHBondContact O-NE1 2.89Å; A304-W419 VanDerWaalsContact O-NE1 3.13Å
305	Y	95.2	Very high	96.4	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.035	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-41.6	175.2	-167.5	-87	0	0	0	111.8	Y301 Q302 T303 H325 K329 M364 A369 W419	Y301-Y305 WeakPolarHBondContact O-CB 3.32Å; Y301-Y305 PolarHBondContact O-N 2.87Å; Q302-Y305 WeakPolarHBondContact O-CB 3.48Å; Q302-Y305 PolarHBondContact O-N 2.88Å; T303-Y305 PolarHBondContact O-N 3.04Å; Y305-H325 AromaticContact CD2-CE1 3.44Å; Y305-H325 VanDerWaalsContact CD2-CE1 3.44Å; Y305-H325 WeakPolarHBondContact CD2-CE1 3.31Å; Y305-H325 AromaticContact CD2-NE2 3.72Å; Y305-H325 AromaticContact CE1-NE2 3.76Å; Y305-H325 AromaticContact CE2-CE1 3.33Å; Y305-H325 WeakPolarHBondContact CE2-CE1 3.18Å; Y305-H325 AromaticContact CE2-NE2 3.44Å; Y305-H325 WeakPolarHBondContact CE2-NE2 3.39Å; Y305-H325 AromaticContact CG-CE1 3.99Å; Y305-H325 AromaticContact CG-NE2 3.95Å; Y305-H325 AromaticContact CZ-CE1 3.81Å; Y305-H325 AromaticContact CZ-NE2 3.39Å; Y305-H325 PolarHBondContact O-NE2 3.19Å; Y305-H325 PolarHBondContact OH-O 3.35Å; Y305-H325 VanDerWaalsContact OH-O 3.06Å; Y305-K329 HydrophobicContact CE1-CB 4.39Å; Y305-K329 HydrophobicContact CE1-CG 4.38Å; Y305-K329 HydrophobicContact CE2-CB 4.43Å; Y305-K329 WeakPolarHBondContact OH-CB 3.41Å; Y305-M364 HydrophobicContact CD1-CE 4.12Å; Y305-M364 HydrophobicContact CE1-CE 3.54Å; Y305-M364 HydrophobicContact CE1-SD 4.35Å; Y305-A369 WeakPolarHBondContact O-CB 3.45Å; Y305-W419 HydrophobicContact CD2-CH2 4.19Å; Y305-W419 HydrophobicContact CD2-CZ2 4.09Å
306	Y	96.6	Very high	96.2	Very high	96 Å²	96	46.7 Å²	46.7	38%	0.376	25%	0.249	S	C	.	.	H	α-helix	trans	-85.1	-10.4	177.8	-65.8	-77.8	0	0	0	113.7	Q302 T303 M364 T367 G368	Q302-Y306 HydrophobicContact CG-CE2 4.28Å; Q302-Y306 WeakPolarHBondContact O-CD2 3.45Å; T303-Y306 PolarHBondContact O-N 3.26Å; T303-Y306 VanDerWaalsContact O-N 3.14Å; Y306-M364 HydrophobicContact CD1-CE 3.99Å; Y306-M364 HydrophobicContact CD1-SD 3.33Å; Y306-M364 WeakPolarHBondContact CD1-SD 3.49Å; Y306-M364 HydrophobicContact CE1-CE 3.42Å; Y306-M364 VanDerWaalsContact CE1-CE 3.42Å; Y306-M364 HydrophobicContact CE1-SD 3.34Å; Y306-M364 WeakPolarHBondContact CE1-SD 3.41Å; Y306-T367 HydrophobicContact CD1-CG2 3.98Å; Y306-T367 WeakPolarHBondContact O-CB 3.22Å; Y306-G368 PolarHBondContact O-N 3.14Å
307	S	97.1	Very high	96.1	Very high	60 Å²	60	47.2 Å²	47.2	42%	0.42	25%	0.251	S	S	.	.	S	Bend	trans	-140.5	66.3	177.9	-64.2	0	0	0	0	110.1	T303 A304	T303-S307 PolarHBondContact O-N 3.04Å; A304-S307 CarbonylContact O-C 3.37Å
308	P	97.4	Very high	96	Very high	19 Å²	19	46.8 Å²	46.8	12%	0.123	25%	0.252	C	S	.	.			trans	-73	141.3	-171.5	29.6	-35.2	0	0	0	112.3	A304 F310 A369	A304-P308 WeakPolarHBondContact O-CA 3.39Å; P308-F310 HydrophobicContact CB-CD1 4.22Å; P308-F310 HydrophobicContact CB-CE1 3.56Å; P308-F310 HydrophobicContact CB-CE2 3.93Å; P308-F310 HydrophobicContact CB-CZ 3.41Å; P308-F310 VanDerWaalsContact CB-CZ 3.41Å; P308-F310 HydrophobicContact CG-CE1 3.97Å; P308-F310 HydrophobicContact CG-CE2 3.6Å; P308-F310 HydrophobicContact CG-CZ 3.26Å; P308-A369 HydrophobicContact CG-CB 4.09Å
309	V	97.6	Very high	95.8	Very high	73 Å²	73	53.2 Å²	53.2	44%	0.442	28%	0.282	S	S	.	.			trans	-108.4	112.9	163.8	-173.1	0	0	0	0	107.4	Q417 Q418 W419	V309-Q417 WeakPolarHBondContact CG1-O 3.42Å; V309-Q418 PolarHBondContact O-N 2.67Å; V309-W419 PolarHBondContact O-N 2.89Å
310	F	97.2	Very high	95.7	Very high	58 Å²	58	52.8 Å²	52.8	25%	0.254	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135.1	-176.4	-56.8	-65.1	0	0	0	111.3	P308 P321 A322 H325 W419 Y421	P308-F310 HydrophobicContact CB-CD1 4.22Å; P308-F310 HydrophobicContact CB-CE1 3.56Å; P308-F310 HydrophobicContact CB-CE2 3.93Å; P308-F310 HydrophobicContact CB-CZ 3.41Å; P308-F310 VanDerWaalsContact CB-CZ 3.41Å; P308-F310 HydrophobicContact CG-CE1 3.97Å; P308-F310 HydrophobicContact CG-CE2 3.6Å; P308-F310 HydrophobicContact CG-CZ 3.26Å; F310-P321 HydrophobicContact CB-CB 3.98Å; F310-P321 HydrophobicContact CD1-CB 3.98Å; F310-P321 HydrophobicContact CD2-CB 4.5Å; F310-P321 HydrophobicContact CG-CB 3.91Å; F310-A322 HydrophobicContact CE2-CB 3.89Å; F310-A322 HydrophobicContact CZ-CB 4.25Å; F310-H325 HydrophobicContact CE1-CB 3.82Å; F310-H325 AromaticContact CE1-CG 3.91Å; F310-H325 AromaticContact CE1-ND1 3.96Å; F310-H325 HydrophobicContact CZ-CB 3.93Å; F310-H325 AromaticContact CZ-CG 3.99Å; F310-W419 WeakPolarHBondContact CA-O 3.36Å; F310-W419 HydrophobicContact CD1-CB 3.86Å; F310-W419 HydrophobicContact CE1-CB 4.32Å; F310-Y421 AromaticContact CD1-CD2 3.94Å; F310-Y421 HydrophobicContact CD1-CD2 3.94Å; F310-Y421 AromaticContact CD1-CE2 3.97Å; F310-Y421 HydrophobicContact CD1-CE2 3.97Å; F310-Y421 HydrophobicContact CE1-CD2 4.03Å; F310-Y421 AromaticContact CE1-CE2 3.7Å; F310-Y421 HydrophobicContact CE1-CE2 3.7Å
311	M	96.1	Very high	95.7	Very high	15 Å²	15	51.4 Å²	51.4	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129.9	158	172.5	-174.4	167.3	0	0	108.9	T313 F400 L416 W419 M420 P934 T936	M311-T313 HydrophobicContact CE-CG2 4.43Å; M311-T313 PolarHBondContact O-N 3.32Å; M311-F400 HydrophobicContact CE-CE2 4.13Å; M311-F400 HydrophobicContact CE-CZ 4.3Å; M311-F400 HydrophobicContact SD-CE2 4.13Å; M311-F400 HydrophobicContact SD-CZ 3.72Å; M311-L416 HydrophobicContact CB-CD1 3.58Å; M311-L416 HydrophobicContact CG-CD1 4.33Å; M311-L416 HydrophobicContact SD-CD1 3.91Å; M311-W419 PolarHBondContact N-O 2.85Å; M311-M420 HydrophobicContact SD-CB 4.3Å; M311-M420 HydrophobicContact SD-CG 4.03Å; M311-P934 WeakPolarHBondContact CE-O 3.45Å; M311-P934 HydrophobicContact CG-CB 4.45Å; M311-P934 HydrophobicContact SD-CB 3.77Å; M311-T936 HydrophobicContact CE-CG2 3.96Å
312	T	93.4	Very high	95.7	Very high	46 Å²	46	52.3 Å²	52.3	28%	0.282	27%	0.274	S	S	.	.			trans	-75.5	110.3	167.5	-56.8	0	0	0	0	109	F315 T318	T312-F315 HydrophobicContact CG2-CD1 3.86Å; T312-F315 HydrophobicContact CG2-CD2 4.43Å; T312-F315 HydrophobicContact CG2-CE1 4.06Å; T312-F315 HydrophobicContact CG2-CG 4.06Å; T312-F315 HydrophobicContact CG2-CZ 4.41Å; T312-T318 HydrophobicContact CG2-CG2 4.06Å
313	T	93.4	Very high	95.8	Very high	8 Å²	8	49 Å²	49	5%	0.049	26%	0.258	C	S	.	.	S	Bend	trans	-81.6	-36.5	176.9	52.9	0	0	0	0	113	M311 M420 Y421 T936 F938	M311-T313 HydrophobicContact CE-CG2 4.43Å; M311-T313 PolarHBondContact O-N 3.32Å; T313-M420 HydrophobicContact CG2-CG 3.45Å; T313-M420 VanDerWaalsContact CG2-CG 3.45Å; T313-M420 HydrophobicContact CG2-SD 3.92Å; T313-Y421 WeakPolarHBondContact CG2-O 3.41Å; T313-Y421 PolarHBondContact OG1-O 2.52Å; T313-Y421 VanDerWaalsContact OG1-O 3.06Å; T313-T936 WeakPolarHBondContact CA-OG1 3.47Å; T313-T936 CarbonylContact O-C 3.6Å; T313-T936 VanDerWaalsContact O-O 3.1Å; T313-T936 PolarHBondContact O-OG1 3.48Å; T313-F938 VanDerWaalsContact O-CD2 3.22Å; T313-F938 WeakPolarHBondContact O-CD2 3.43Å; T313-F938 WeakPolarHBondContact O-CE2 3.49Å
314	D	93.7	Very high	95.8	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.027	24%	0.238	C	C	.	.			trans	-135.1	118.1	-179.6	179.8	-13	0	0	0	107.8	V316 K317 F938	D314-V316 PolarHBondContact O-N 3.45Å; D314-V316 WeakPolarHBondContact OD1-CB 3.37Å; D314-V316 PolarHBondContact OD1-N 2.63Å; D314-K317 HydrophobicContact CB-CB 4.1Å; D314-K317 HydrophobicContact CB-CD 3.99Å; D314-K317 HydrophobicContact CB-CG 4.14Å; D314-K317 CarbonylContact O-C 3.55Å; D314-K317 PolarHBondContact O-N 2.89Å; D314-K317 VanDerWaalsContact OD2-CD 3.3Å; D314-K317 WeakPolarHBondContact OD2-CD 3.46Å; D314-K317 WeakPolarHBondContact OD2-CE 3.34Å; D314-F938 HydrophobicContact CB-CB 4.47Å; D314-F938 HydrophobicContact CB-CD2 3.86Å
315	F	93.3	Very high	95.8	Very high	116 Å²	116	45.7 Å²	45.7	51%	0.509	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-9	-176.7	-70.9	-89.3	0	0	0	113.4	T312 T318 F935	T312-F315 HydrophobicContact CG2-CD1 3.86Å; T312-F315 HydrophobicContact CG2-CD2 4.43Å; T312-F315 HydrophobicContact CG2-CE1 4.06Å; T312-F315 HydrophobicContact CG2-CG 4.06Å; T312-F315 HydrophobicContact CG2-CZ 4.41Å; F315-T318 WeakPolarHBondContact O-CG2 3.4Å; F315-F935 AromaticContact CE2-CE2 3.91Å; F315-F935 HydrophobicContact CE2-CE2 3.91Å; F315-F935 HydrophobicContact CZ-CE2 4.27Å
316	V	92.2	Very high	96	Very high	111 Å²	111	45.3 Å²	45.3	67%	0.673	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-18.3	168.4	-174	0	0	0	0	111.3	D314	D314-V316 PolarHBondContact O-N 3.45Å; D314-V316 WeakPolarHBondContact OD1-CB 3.37Å; D314-V316 PolarHBondContact OD1-N 2.63Å
317	K	94.3	Very high	96	Very high	22 Å²	22	40.7 Å²	40.7	10%	0.096	22%	0.219	C	C	.	.			trans	-116.2	33.5	-173.4	-58.6	176.5	-177.2	-172.9	0	113.1	D314 E319 R320 P321 D423 E426	D314-K317 HydrophobicContact CB-CB 4.1Å; D314-K317 HydrophobicContact CB-CD 3.99Å; D314-K317 HydrophobicContact CB-CG 4.14Å; D314-K317 CarbonylContact O-C 3.55Å; D314-K317 PolarHBondContact O-N 2.89Å; D314-K317 VanDerWaalsContact OD2-CD 3.3Å; D314-K317 WeakPolarHBondContact OD2-CD 3.46Å; D314-K317 WeakPolarHBondContact OD2-CE 3.34Å; K317-E319 PolarHBondContact O-N 3.37Å; K317-R320 HydrophobicContact CB-CB 4.25Å; K317-R320 HydrophobicContact CB-CG 4.02Å; K317-R320 WeakPolarHBondContact O-CB 3.22Å; K317-R320 PolarHBondContact O-N 3.31Å; K317-P321 VanDerWaalsContact O-CD 3.3Å; K317-P321 WeakPolarHBondContact O-CD 3.49Å; K317-D423 PolarHBondContact NZ-O 3.23Å; K317-D423 VanDerWaalsContact NZ-O 3.11Å; K317-D423 IonicContact NZ-OD1 3.74Å; K317-D423 PolarHBondContact NZ-OD1 3.38Å; K317-D423 IonicContact NZ-OD2 3.46Å; K317-E426 WeakPolarHBondContact CE-OE1 3.47Å; K317-E426 IonicContact NZ-OE1 3.9Å; K317-E426 PolarHBondContact NZ-OE1 3.41Å; K317-E426 IonicContact NZ-OE2 2.7Å; K317-E426 PolarHBondContact NZ-OE2 3.4Å
318	T	94.8	Very high	96	Very high	74 Å²	74	38.3 Å²	38.3	45%	0.454	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.2	-170.9	53.9	0	0	0	0	115.1	T312 F315 P321	T312-T318 HydrophobicContact CG2-CG2 4.06Å; F315-T318 WeakPolarHBondContact O-CG2 3.4Å; T318-P321 WeakPolarHBondContact O-CD 3.27Å
319	E	94.9	Very high	95.9	Very high	141 Å²	141	39.1 Å²	39.1	66%	0.659	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-20.2	179.7	-60	-62.7	149.9	0	0	113.4	K317 A322	K317-E319 PolarHBondContact O-N 3.37Å; E319-A322 PolarHBondContact O-N 3.14Å
320	R	96.9	Very high	95.8	Very high	61 Å²	61	35.6 Å²	35.6	23%	0.23	18%	0.181	C	C	.	.	H	α-helix	trans	-67.2	-35.9	-172.5	-67.5	-163	-179.2	-177.4	-2.2	114.7	K317 A322 Q323 I324 L378 D423 T425	K317-R320 HydrophobicContact CB-CB 4.25Å; K317-R320 HydrophobicContact CB-CG 4.02Å; K317-R320 WeakPolarHBondContact O-CB 3.22Å; K317-R320 PolarHBondContact O-N 3.31Å; R320-A322 VanDerWaalsContact C-N 3.26Å; R320-A322 PolarHBondContact O-N 3.33Å; R320-Q323 WeakPolarHBondContact O-CB 3.47Å; R320-Q323 PolarHBondContact O-N 2.84Å; R320-Q323 VanDerWaalsContact O-N 3.08Å; R320-I324 HydrophobicContact CB-CD1 4.15Å; R320-I324 VanDerWaalsContact O-CG1 3.3Å; R320-I324 WeakPolarHBondContact O-CG1 3.21Å; R320-I324 PolarHBondContact O-N 3.1Å; R320-L378 HydrophobicContact CB-CD2 4.43Å; R320-L378 HydrophobicContact CG-CD2 4.04Å; R320-D423 WeakPolarHBondContact CD-OD2 3.45Å; R320-D423 IonicContact CZ-OD2 3.06Å; R320-D423 IonicContact NE-OD2 3.02Å; R320-D423 VanDerWaalsContact NH1-CG 3.27Å; R320-D423 IonicContact NH1-OD1 3.67Å; R320-D423 PolarHBondContact NH1-OD1 3.43Å; R320-D423 IonicContact NH1-OD2 2.66Å; R320-D423 PolarHBondContact NH1-OD2 3.47Å; R320-T425 PolarHBondContact NH1-OG1 3.11Å
321	P	97.6	Very high	95.8	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.045	17%	0.172	C	C	.	.	H	α-helix	trans	-52.8	-43.3	176.6	-30.1	36.4	0	0	0	113.3	F310 K317 T318 I324 H325 Y421	F310-P321 HydrophobicContact CB-CB 3.98Å; F310-P321 HydrophobicContact CD1-CB 3.98Å; F310-P321 HydrophobicContact CD2-CB 4.5Å; F310-P321 HydrophobicContact CG-CB 3.91Å; K317-P321 VanDerWaalsContact O-CD 3.3Å; K317-P321 WeakPolarHBondContact O-CD 3.49Å; T318-P321 WeakPolarHBondContact O-CD 3.27Å; P321-I324 PolarHBondContact O-N 2.97Å; P321-H325 VanDerWaalsContact O-CB 3.29Å; P321-H325 WeakPolarHBondContact O-CB 3.15Å; P321-H325 PolarHBondContact O-N 3.33Å; P321-Y421 HydrophobicContact CB-CD2 4.27Å
322	A	97.4	Very high	95.7	Very high	20 Å²	20	33.3 Å²	33.3	17%	0.165	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-38.5	178.2	0	0	0	0	0	112.3	F310 E319 R320 V371	F310-A322 HydrophobicContact CE2-CB 3.89Å; F310-A322 HydrophobicContact CZ-CB 4.25Å; E319-A322 PolarHBondContact O-N 3.14Å; R320-A322 VanDerWaalsContact C-N 3.26Å; R320-A322 PolarHBondContact O-N 3.33Å; A322-V371 HydrophobicContact CB-CG1 3.66Å
323	Q	98.1	Very high	95.8	Very high	17 Å²	17	32.6 Å²	32.6	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-53.2	174.5	-60.2	-71.8	-25.5	0	0	111	R320 H325 L326 F327 S373 D375 L378	R320-Q323 WeakPolarHBondContact O-CB 3.47Å; R320-Q323 PolarHBondContact O-N 2.84Å; R320-Q323 VanDerWaalsContact O-N 3.08Å; Q323-H325 VanDerWaalsContact C-N 3.25Å; Q323-H325 PolarHBondContact O-N 2.94Å; Q323-L326 WeakPolarHBondContact O-CB 3.49Å; Q323-L326 PolarHBondContact O-N 3.39Å; Q323-L326 VanDerWaalsContact O-N 3.08Å; Q323-F327 HydrophobicContact CB-CE1 4.23Å; Q323-F327 HydrophobicContact CB-CE2 4.3Å; Q323-F327 HydrophobicContact CB-CZ 3.8Å; Q323-F327 WeakPolarHBondContact O-CD1 3.41Å; Q323-F327 VanDerWaalsContact O-CE1 3.31Å; Q323-F327 WeakPolarHBondContact O-CE1 3.44Å; Q323-F327 WeakPolarHBondContact O-CG 3.38Å; Q323-F327 PolarHBondContact O-N 3.42Å; Q323-S373 PolarHBondContact NE2-O 3.44Å; Q323-D375 HydrophobicContact CG-CB 4.43Å; Q323-L378 HydrophobicContact CB-CD2 4.34Å
324	I	97.9	Very high	96	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-33	-176.2	-60.1	164.4	0	0	0	111.1	F190 R320 P321 L326 F327 F328 L378 Y421 D423	F190-I324 HydrophobicContact CD1-CD1 4Å; F190-I324 HydrophobicContact CD1-CG1 4.17Å; F190-I324 HydrophobicContact CD1-CG2 4.38Å; F190-I324 HydrophobicContact CE1-CD1 4.28Å; F190-I324 HydrophobicContact CE1-CG1 4.33Å; R320-I324 HydrophobicContact CB-CD1 4.15Å; R320-I324 VanDerWaalsContact O-CG1 3.3Å; R320-I324 WeakPolarHBondContact O-CG1 3.21Å; R320-I324 PolarHBondContact O-N 3.1Å; P321-I324 PolarHBondContact O-N 2.97Å; I324-L326 VanDerWaalsContact C-N 3.28Å; I324-L326 PolarHBondContact O-N 3.36Å; I324-F327 HydrophobicContact CB-CD2 4.37Å; I324-F327 HydrophobicContact CG1-CD2 4.19Å; I324-F327 HydrophobicContact CG1-CE2 4.25Å; I324-F327 WeakPolarHBondContact O-CB 3.17Å; I324-F327 PolarHBondContact O-N 2.94Å; I324-F328 HydrophobicContact CG2-CD2 3.81Å; I324-F328 HydrophobicContact CG2-CE2 3.64Å; I324-F328 WeakPolarHBondContact O-CD2 3.43Å; I324-F328 PolarHBondContact O-N 3.3Å; I324-F328 VanDerWaalsContact O-N 3.16Å; I324-L378 HydrophobicContact CG1-CD2 4.34Å; I324-Y421 HydrophobicContact CB-CD1 4Å; I324-Y421 HydrophobicContact CB-CG 4.28Å; I324-Y421 HydrophobicContact CG2-CD1 3.46Å; I324-Y421 VanDerWaalsContact CG2-CD1 3.46Å; I324-Y421 HydrophobicContact CG2-CE1 4.1Å; I324-Y421 HydrophobicContact CG2-CG 4.18Å; I324-D423 HydrophobicContact CD1-CB 4.15Å
325	H	97.5	Very high	96.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-54.3	-43.5	173.1	-177.6	78.5	0	0	0	112.9	Y305 F310 P321 Q323 Y421	Y305-H325 AromaticContact CD2-CE1 3.44Å; Y305-H325 VanDerWaalsContact CD2-CE1 3.44Å; Y305-H325 WeakPolarHBondContact CD2-CE1 3.31Å; Y305-H325 AromaticContact CD2-NE2 3.72Å; Y305-H325 AromaticContact CE1-NE2 3.76Å; Y305-H325 AromaticContact CE2-CE1 3.33Å; Y305-H325 WeakPolarHBondContact CE2-CE1 3.18Å; Y305-H325 AromaticContact CE2-NE2 3.44Å; Y305-H325 WeakPolarHBondContact CE2-NE2 3.39Å; Y305-H325 AromaticContact CG-CE1 3.99Å; Y305-H325 AromaticContact CG-NE2 3.95Å; Y305-H325 AromaticContact CZ-CE1 3.81Å; Y305-H325 AromaticContact CZ-NE2 3.39Å; Y305-H325 PolarHBondContact O-NE2 3.19Å; Y305-H325 PolarHBondContact OH-O 3.35Å; Y305-H325 VanDerWaalsContact OH-O 3.06Å; F310-H325 HydrophobicContact CE1-CB 3.82Å; F310-H325 AromaticContact CE1-CG 3.91Å; F310-H325 AromaticContact CE1-ND1 3.96Å; F310-H325 HydrophobicContact CZ-CB 3.93Å; F310-H325 AromaticContact CZ-CG 3.99Å; P321-H325 VanDerWaalsContact O-CB 3.29Å; P321-H325 WeakPolarHBondContact O-CB 3.15Å; P321-H325 PolarHBondContact O-N 3.33Å; Q323-H325 VanDerWaalsContact C-N 3.25Å; Q323-H325 PolarHBondContact O-N 2.94Å; H325-Y421 HydrophobicContact CB-CD2 4.49Å; H325-Y421 HydrophobicContact CB-CE1 4.5Å; H325-Y421 HydrophobicContact CB-CE2 3.76Å; H325-Y421 AromaticContact ND1-CE2 3.68Å; H325-Y421 AromaticContact ND1-CZ 3.55Å; H325-Y421 PolarHBondContact ND1-OH 2.87Å
326	L	97.8	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.3	-36.5	175.3	-59.5	172.5	0	0	0	111.6	Q323 I324 F328 K329 A330 V360 N361 M364 V371 I374	Q323-L326 WeakPolarHBondContact O-CB 3.49Å; Q323-L326 PolarHBondContact O-N 3.39Å; Q323-L326 VanDerWaalsContact O-N 3.08Å; I324-L326 VanDerWaalsContact C-N 3.28Å; I324-L326 PolarHBondContact O-N 3.36Å; L326-F328 PolarHBondContact O-N 3.23Å; L326-K329 PolarHBondContact O-N 3.39Å; L326-A330 WeakPolarHBondContact O-CB 3.32Å; L326-A330 PolarHBondContact O-N 2.87Å; L326-V360 HydrophobicContact CD2-CG1 3.99Å; L326-N361 HydrophobicContact CD1-CB 4.04Å; L326-N361 WeakPolarHBondContact CD1-OD1 3.43Å; L326-M364 HydrophobicContact CD2-CG 4.16Å; L326-V371 HydrophobicContact CD1-CG1 4.24Å; L326-V371 HydrophobicContact CD1-CG2 3.71Å; L326-I374 HydrophobicContact CD1-CD1 3.86Å
327	F	97.9	Very high	96.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-41.7	-178	-59.9	-7.6	0	0	0	112.3	Q323 I324 K329 A330 L331 F353 V357 L378 A379 F382	Q323-F327 HydrophobicContact CB-CE1 4.23Å; Q323-F327 HydrophobicContact CB-CE2 4.3Å; Q323-F327 HydrophobicContact CB-CZ 3.8Å; Q323-F327 WeakPolarHBondContact O-CD1 3.41Å; Q323-F327 VanDerWaalsContact O-CE1 3.31Å; Q323-F327 WeakPolarHBondContact O-CE1 3.44Å; Q323-F327 WeakPolarHBondContact O-CG 3.38Å; Q323-F327 PolarHBondContact O-N 3.42Å; I324-F327 HydrophobicContact CB-CD2 4.37Å; I324-F327 HydrophobicContact CG1-CD2 4.19Å; I324-F327 HydrophobicContact CG1-CE2 4.25Å; I324-F327 WeakPolarHBondContact O-CB 3.17Å; I324-F327 PolarHBondContact O-N 2.94Å; F327-K329 VanDerWaalsContact C-N 3.35Å; F327-K329 PolarHBondContact O-N 3.13Å; F327-A330 PolarHBondContact O-N 2.74Å; F327-L331 VanDerWaalsContact O-CB 3.31Å; F327-L331 WeakPolarHBondContact O-CB 3.06Å; F327-L331 PolarHBondContact O-N 3.35Å; F327-F353 HydrophobicContact CB-CZ 3.99Å; F327-F353 HydrophobicContact CG-CZ 4.45Å; F327-V357 HydrophobicContact CD1-CB 4.42Å; F327-V357 HydrophobicContact CD1-CG1 3.73Å; F327-V357 HydrophobicContact CD1-CG2 3.71Å; F327-V357 HydrophobicContact CE1-CG1 3.72Å; F327-V357 HydrophobicContact CE1-CG2 4.28Å; F327-L378 HydrophobicContact CE2-CB 4.24Å; F327-L378 HydrophobicContact CE2-CD2 3.79Å; F327-L378 HydrophobicContact CE2-CG 3.77Å; F327-L378 HydrophobicContact CZ-CB 4.31Å; F327-L378 HydrophobicContact CZ-CD2 4.19Å; F327-L378 HydrophobicContact CZ-CG 4.28Å; F327-A379 HydrophobicContact CD1-CB 4.38Å; F327-A379 HydrophobicContact CE1-CB 3.77Å; F327-A379 HydrophobicContact CE2-CB 4.47Å; F327-A379 HydrophobicContact CZ-CB 3.81Å; F327-F382 HydrophobicContact CB-CD1 4.16Å; F327-F382 HydrophobicContact CB-CD2 4.03Å; F327-F382 HydrophobicContact CB-CE1 4.16Å; F327-F382 HydrophobicContact CB-CE2 4.03Å; F327-F382 HydrophobicContact CB-CG 4.09Å; F327-F382 HydrophobicContact CB-CZ 4.1Å; F327-F382 HydrophobicContact CD2-CB 3.95Å; F327-F382 AromaticContact CD2-CD2 3.82Å; F327-F382 HydrophobicContact CD2-CD2 3.82Å; F327-F382 AromaticContact CD2-CG 3.93Å; F327-F382 HydrophobicContact CD2-CG 3.93Å; F327-F382 HydrophobicContact CE2-CB 4.46Å; F327-F382 HydrophobicContact CG-CD2 4.4Å; F327-F382 HydrophobicContact CG-CG 4.35Å
328	F	96.4	Very high	96.4	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.044	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-38.3	178.4	-86.6	-86.8	0	0	0	112.8	C187 K192 I324 L326 L331 S332 F382 Y421	C187-F328 VanDerWaalsContact SG-CE1 3.59Å; K192-F328 HydrophobicContact CB-CE2 4.11Å; K192-F328 HydrophobicContact CB-CZ 4.21Å; K192-F328 HydrophobicContact CD-CB 4.37Å; K192-F328 HydrophobicContact CD-CD1 3.76Å; K192-F328 HydrophobicContact CD-CD2 4.06Å; K192-F328 HydrophobicContact CD-CE1 3.98Å; K192-F328 HydrophobicContact CD-CE2 4.26Å; K192-F328 HydrophobicContact CD-CG 3.8Å; K192-F328 HydrophobicContact CD-CZ 4.22Å; K192-F328 HydrophobicContact CG-CD1 4.32Å; K192-F328 HydrophobicContact CG-CE1 4.01Å; K192-F328 HydrophobicContact CG-CE2 4.22Å; K192-F328 HydrophobicContact CG-CZ 3.95Å; I324-F328 HydrophobicContact CG2-CD2 3.81Å; I324-F328 HydrophobicContact CG2-CE2 3.64Å; I324-F328 WeakPolarHBondContact O-CD2 3.43Å; I324-F328 PolarHBondContact O-N 3.3Å; I324-F328 VanDerWaalsContact O-N 3.16Å; L326-F328 PolarHBondContact O-N 3.23Å; F328-L331 PolarHBondContact O-N 3.2Å; F328-S332 PolarHBondContact O-N 3.26Å; F328-S332 VanDerWaalsContact O-N 3.1Å; F328-F382 HydrophobicContact CD2-CE2 4.36Å; F328-F382 HydrophobicContact CD2-CZ 4.43Å; F328-F382 HydrophobicContact CE2-CE2 4.1Å; F328-F382 HydrophobicContact CE2-CZ 4.43Å; F328-F382 HydrophobicContact CZ-CE2 4.44Å; F328-Y421 HydrophobicContact CD2-CD1 4.2Å; F328-Y421 AromaticContact CD2-CE1 3.7Å; F328-Y421 HydrophobicContact CD2-CE1 3.7Å; F328-Y421 HydrophobicContact CE2-CD1 4.13Å; F328-Y421 HydrophobicContact CE2-CE1 4.04Å
329	K	94.3	Very high	96.3	Very high	35 Å²	35	37.4 Å²	37.4	15%	0.152	21%	0.208	C	C	.	.	H	α-helix	trans	-73.5	-40.1	174.6	179.8	65.4	175.6	-179.7	0	112.6	E164 D165 Y305 L326 F327 L331 S332 N333 V360	E164-K329 HydrophobicContact CB-CD 4.02Å; E164-K329 HydrophobicContact CG-CD 3.84Å; D165-K329 IonicContact OD1-NZ 3.31Å; Y305-K329 HydrophobicContact CE1-CB 4.39Å; Y305-K329 HydrophobicContact CE1-CG 4.38Å; Y305-K329 HydrophobicContact CE2-CB 4.43Å; Y305-K329 WeakPolarHBondContact OH-CB 3.41Å; L326-K329 PolarHBondContact O-N 3.39Å; F327-K329 VanDerWaalsContact C-N 3.35Å; F327-K329 PolarHBondContact O-N 3.13Å; K329-L331 PolarHBondContact O-N 3.08Å; K329-S332 PolarHBondContact O-N 3.22Å; K329-N333 WeakPolarHBondContact O-CB 3.47Å; K329-N333 VanDerWaalsContact O-CG 3.29Å; K329-N333 PolarHBondContact O-N 3.32Å; K329-N333 PolarHBondContact O-OD1 2.8Å; K329-V360 HydrophobicContact CB-CG1 4.19Å; K329-V360 HydrophobicContact CG-CG1 4.01Å; K329-V360 HydrophobicContact CG-CG2 4.19Å
330	A	96.9	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.5	-38.8	172.2	0	0	0	0	0	111	L326 F327 N333 Y334 F353 V357 V360	L326-A330 WeakPolarHBondContact O-CB 3.32Å; L326-A330 PolarHBondContact O-N 2.87Å; F327-A330 PolarHBondContact O-N 2.74Å; A330-N333 PolarHBondContact O-N 2.86Å; A330-Y334 VanDerWaalsContact O-CB 3.28Å; A330-Y334 WeakPolarHBondContact O-CB 3.27Å; A330-Y334 PolarHBondContact O-N 2.96Å; A330-F353 HydrophobicContact CB-CE2 3.86Å; A330-F353 HydrophobicContact CB-CZ 4.26Å; A330-V357 HydrophobicContact CB-CB 4.27Å; A330-V357 HydrophobicContact CB-CG2 3.56Å; A330-V360 HydrophobicContact CB-CG2 4.18Å
331	L	96.7	Very high	96.2	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-44.4	178.2	-170.2	68.2	0	0	0	111.5	C187 F327 F328 K329 N333 Y334 K335 L341 P342 F353 F382 C386	C187-L331 VanDerWaalsContact SG-CD2 3.54Å; F327-L331 VanDerWaalsContact O-CB 3.31Å; F327-L331 WeakPolarHBondContact O-CB 3.06Å; F327-L331 PolarHBondContact O-N 3.35Å; F328-L331 PolarHBondContact O-N 3.2Å; K329-L331 PolarHBondContact O-N 3.08Å; L331-N333 VanDerWaalsContact C-N 3.35Å; L331-Y334 PolarHBondContact O-N 3.42Å; L331-K335 WeakPolarHBondContact O-CB 3.36Å; L331-K335 PolarHBondContact O-N 2.95Å; L331-L341 HydrophobicContact CD1-CD2 3.83Å; L331-L341 HydrophobicContact CD2-CD2 4.08Å; L331-L341 HydrophobicContact CG-CD2 3.83Å; L331-P342 HydrophobicContact CD1-CG 4.22Å; L331-F353 HydrophobicContact CB-CE2 4Å; L331-F353 HydrophobicContact CD1-CD2 4.38Å; L331-F353 HydrophobicContact CD1-CE2 4.1Å; L331-F382 HydrophobicContact CB-CE1 4.1Å; L331-F382 HydrophobicContact CD1-CE1 4.12Å; L331-F382 HydrophobicContact CD2-CE1 3.87Å; L331-F382 HydrophobicContact CD2-CZ 4.08Å; L331-F382 HydrophobicContact CG-CE1 4.24Å; L331-C386 HydrophobicContact CD1-CB 4.13Å; L331-C386 HydrophobicContact CD2-CB 4.27Å
332	S	94.5	Very high	96.2	Very high	12 Å²	12	32.6 Å²	32.6	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-45.4	174.2	-165.5	0	0	0	0	111.2	F328 K329 Y334 K335 N336	F328-S332 PolarHBondContact O-N 3.26Å; F328-S332 VanDerWaalsContact O-N 3.1Å; K329-S332 PolarHBondContact O-N 3.22Å; S332-Y334 PolarHBondContact O-N 2.96Å; S332-K335 PolarHBondContact O-N 3.04Å; S332-N336 WeakPolarHBondContact O-CB 3.33Å; S332-N336 PolarHBondContact O-N 3.15Å; S332-N336 PolarHBondContact O-OD1 2.99Å
333	N	95.5	Very high	96.1	Very high	31 Å²	31	37.2 Å²	37.2	17%	0.166	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-41	178	-70.4	-4.1	0	0	0	111.9	K329 A330 L331 S337 Y356 V360	K329-N333 WeakPolarHBondContact O-CB 3.47Å; K329-N333 VanDerWaalsContact O-CG 3.29Å; K329-N333 PolarHBondContact O-N 3.32Å; K329-N333 PolarHBondContact O-OD1 2.8Å; A330-N333 PolarHBondContact O-N 2.86Å; L331-N333 VanDerWaalsContact C-N 3.35Å; N333-S337 WeakPolarHBondContact O-CB 3.39Å; N333-S337 PolarHBondContact O-N 3.1Å; N333-S337 VanDerWaalsContact O-N 3.08Å; N333-S337 PolarHBondContact O-OG 3.23Å; N333-Y356 HydrophobicContact CB-CD1 3.82Å; N333-Y356 HydrophobicContact CB-CE1 4.2Å; N333-V360 VanDerWaalsContact ND2-CG2 3.32Å; N333-V360 WeakPolarHBondContact ND2-CG2 3.37Å
334	Y	97	Very high	96.1	Very high	8 Å²	8	37.8 Å²	37.8	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-50.7	175.6	-178.3	-76.9	0	0	0	110.5	A330 L331 S332 N336 S337 N338 S340 P342 T352 F353 Y356	A330-Y334 VanDerWaalsContact O-CB 3.28Å; A330-Y334 WeakPolarHBondContact O-CB 3.27Å; A330-Y334 PolarHBondContact O-N 2.96Å; L331-Y334 PolarHBondContact O-N 3.42Å; S332-Y334 PolarHBondContact O-N 2.96Å; Y334-N336 VanDerWaalsContact C-N 3.34Å; Y334-N336 PolarHBondContact O-N 3.15Å; Y334-S337 PolarHBondContact O-N 3.48Å; Y334-N338 HydrophobicContact CD1-CB 4.33Å; Y334-N338 WeakPolarHBondContact CD2-ND2 3.44Å; Y334-N338 HydrophobicContact CE1-CB 3.98Å; Y334-N338 WeakPolarHBondContact O-CB 3.44Å; Y334-N338 PolarHBondContact O-N 3.09Å; Y334-N338 PolarHBondContact O-ND2 3.48Å; Y334-S340 WeakPolarHBondContact CD1-O 3.43Å; Y334-S340 VanDerWaalsContact CE1-O 3.32Å; Y334-S340 WeakPolarHBondContact CE1-O 3.45Å; Y334-P342 HydrophobicContact CD1-CG 3.95Å; Y334-P342 HydrophobicContact CD2-CG 4.48Å; Y334-P342 HydrophobicContact CE1-CB 4.46Å; Y334-P342 HydrophobicContact CE1-CG 3.76Å; Y334-P342 HydrophobicContact CE2-CG 4.29Å; Y334-P342 HydrophobicContact CG-CG 4.33Å; Y334-T352 HydrophobicContact CD2-CG2 4.47Å; Y334-T352 HydrophobicContact CE2-CG2 3.94Å; Y334-F353 HydrophobicContact CD2-CB 4.32Å; Y334-Y356 AromaticContact CD2-CD2 3.87Å; Y334-Y356 HydrophobicContact CD2-CD2 3.87Å; Y334-Y356 AromaticContact CD2-CE2 3.99Å; Y334-Y356 HydrophobicContact CD2-CE2 3.99Å
335	K	95.7	Very high	96	Very high	110 Å²	110	38.5 Å²	38.5	48%	0.478	22%	0.219	S	C	.	.	H	α-helix	trans	-60.9	-43.5	-180	-173.4	179.5	178.6	177.8	0	111.6	L331 S332 S337 G339 L341	L331-K335 WeakPolarHBondContact O-CB 3.36Å; L331-K335 PolarHBondContact O-N 2.95Å; S332-K335 PolarHBondContact O-N 3.04Å; K335-S337 VanDerWaalsContact C-N 3.27Å; K335-S337 PolarHBondContact O-N 3.22Å; K335-G339 VanDerWaalsContact O-CA 3.3Å; K335-G339 WeakPolarHBondContact O-CA 3.12Å; K335-G339 PolarHBondContact O-N 2.82Å; K335-L341 HydrophobicContact CB-CD2 4.18Å; K335-L341 HydrophobicContact CD-CD2 3.91Å; K335-L341 HydrophobicContact CD-CG 4.47Å; K335-L341 HydrophobicContact CG-CD2 4.29Å
336	N	94.2	Very high	95.9	Very high	98 Å²	98	39.1 Å²	39.1	52%	0.524	22%	0.223	S	C	.	.	H	α-helix	trans	-63.1	-34.5	178	-72.8	-5.4	0	0	0	112.2	D165 S332 Y334	D165-N336 PolarHBondContact OD2-ND2 2.87Å; S332-N336 WeakPolarHBondContact O-CB 3.33Å; S332-N336 PolarHBondContact O-N 3.15Å; S332-N336 PolarHBondContact O-OD1 2.99Å; Y334-N336 VanDerWaalsContact C-N 3.34Å; Y334-N336 PolarHBondContact O-N 3.15Å
337	S	95.7	Very high	95.6	Very high	76 Å²	76	46.8 Å²	46.8	53%	0.531	26%	0.257	S	S	.	.	H	α-helix	trans	-85.6	-33	-177.2	-53.4	0	0	0	0	113.3	N333 Y334 K335 Y356	N333-S337 WeakPolarHBondContact O-CB 3.39Å; N333-S337 PolarHBondContact O-N 3.1Å; N333-S337 VanDerWaalsContact O-N 3.08Å; N333-S337 PolarHBondContact O-OG 3.23Å; Y334-S337 PolarHBondContact O-N 3.48Å; K335-S337 VanDerWaalsContact C-N 3.27Å; K335-S337 PolarHBondContact O-N 3.22Å; S337-Y356 WeakPolarHBondContact CB-OH 3.36Å; S337-Y356 PolarHBondContact OG-OH 3.41Å
338	N	95.5	Very high	95.6	Very high	77 Å²	77	51.7 Å²	51.7	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-107.5	-10.5	-173.3	-59.7	-70.5	0	0	0	113.8	Y334 S340	Y334-N338 HydrophobicContact CD1-CB 4.33Å; Y334-N338 WeakPolarHBondContact CD2-ND2 3.44Å; Y334-N338 HydrophobicContact CE1-CB 3.98Å; Y334-N338 WeakPolarHBondContact O-CB 3.44Å; Y334-N338 PolarHBondContact O-N 3.09Å; Y334-N338 PolarHBondContact O-ND2 3.48Å; N338-S340 PolarHBondContact O-N 2.54Å
339	G	93.6	Very high	95.6	Very high	67 Å²	67	52.5 Å²	52.5	69%	0.691	29%	0.291	S	S	*	.	S	Bend	trans	80.7	-13.3	179.9	0	0	0	0	0	115.2	K335	K335-G339 VanDerWaalsContact O-CA 3.3Å; K335-G339 WeakPolarHBondContact O-CA 3.12Å; K335-G339 PolarHBondContact O-N 2.82Å
340	S	93.9	Very high	95.7	Very high	55 Å²	55	50.8 Å²	50.8	39%	0.385	28%	0.284	S	S	.	.	S	Bend	trans	-138.5	166.7	176	68.8	0	0	0	0	111.8	Y334 N338	Y334-S340 WeakPolarHBondContact CD1-O 3.43Å; Y334-S340 VanDerWaalsContact CE1-O 3.32Å; Y334-S340 WeakPolarHBondContact CE1-O 3.45Å; N338-S340 PolarHBondContact O-N 2.54Å
341	L	95.4	Very high	95.7	Very high	53 Å²	53	56.6 Å²	56.6	28%	0.277	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-70.8	160.1	165.7	-61.6	177.8	0	0	0	110.2	L331 K335 K343 S387	L331-L341 HydrophobicContact CD1-CD2 3.83Å; L331-L341 HydrophobicContact CD2-CD2 4.08Å; L331-L341 HydrophobicContact CG-CD2 3.83Å; K335-L341 HydrophobicContact CB-CD2 4.18Å; K335-L341 HydrophobicContact CD-CD2 3.91Å; K335-L341 HydrophobicContact CD-CG 4.47Å; K335-L341 HydrophobicContact CG-CD2 4.29Å; L341-K343 PolarHBondContact O-N 2.95Å; L341-S387 VanDerWaalsContact CB-OG 3.22Å; L341-S387 WeakPolarHBondContact CB-OG 3.39Å
342	P	97.5	Very high	95.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-51.5	134.8	168.7	-27	34.9	0	0	0	111.8	L331 Y334 D349 F353 G383 S387	L331-P342 HydrophobicContact CD1-CG 4.22Å; Y334-P342 HydrophobicContact CD1-CG 3.95Å; Y334-P342 HydrophobicContact CD2-CG 4.48Å; Y334-P342 HydrophobicContact CE1-CB 4.46Å; Y334-P342 HydrophobicContact CE1-CG 3.76Å; Y334-P342 HydrophobicContact CE2-CG 4.29Å; Y334-P342 HydrophobicContact CG-CG 4.33Å; P342-D349 HydrophobicContact CB-CB 4.03Å; P342-F353 HydrophobicContact CG-CB 4.2Å; P342-F353 HydrophobicContact CG-CD2 4.4Å; P342-F353 HydrophobicContact CG-CG 4.47Å; P342-G383 WeakPolarHBondContact CB-O 3.41Å; P342-S387 PolarHBondContact O-OG 3.21Å
343	K	96.7	Very high	96	Very high	117 Å²	117	57.6 Å²	57.6	51%	0.509	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-67.9	143.4	178.5	-68.7	168.9	-170.2	163	0	111	L341 W345 C346 D349	L341-K343 PolarHBondContact O-N 2.95Å; K343-W345 PolarHBondContact O-N 3.11Å; K343-C346 HydrophobicContact CB-CB 3.76Å; K343-C346 WeakPolarHBondContact O-CB 3.31Å; K343-C346 PolarHBondContact O-N 3.11Å; K343-C346 VanDerWaalsContact O-N 3.11Å; K343-D349 WeakPolarHBondContact CB-OD2 3.39Å; K343-D349 WeakPolarHBondContact CG-OD2 3.37Å; K343-D349 PolarHBondContact N-OD2 3.03Å
344	P	96.6	Very high	96.1	Very high	29 Å²	29	56.1 Å²	56.1	19%	0.188	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	123.9	179.9	-28.2	35.3	0	0	0	112.6	C346 C384 A443 A455	P344-C346 PolarHBondContact O-N 2.92Å; P344-C384 WeakPolarHBondContact CA-O 3.2Å; P344-A443 HydrophobicContact CB-CB 3.82Å; P344-A455 HydrophobicContact CB-CB 4.07Å; P344-A455 HydrophobicContact CG-CB 3.74Å
345	W	95.8	Very high	96.2	Very high	18 Å²	18	60.1 Å²	60.1	7%	0.068	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	17.6	177.8	-59.2	87.8	0	0	0	116	K343 K347 C384 V385 L428 F436 V438 A443 A455 I456	K343-W345 PolarHBondContact O-N 3.11Å; W345-K347 PolarHBondContact O-N 3.22Å; W345-C384 HydrophobicContact CD2-CB 4.02Å; W345-C384 HydrophobicContact CE3-CB 3.88Å; W345-C384 HydrophobicContact CG-CB 4.44Å; W345-C384 HydrophobicContact CZ3-CB 4.21Å; W345-C384 PolarHBondContact N-O 3.48Å; W345-V385 HydrophobicContact CZ2-CG1 3.95Å; W345-L428 HydrophobicContact CH2-CD1 4.31Å; W345-L428 HydrophobicContact CH2-CD2 4.31Å; W345-L428 HydrophobicContact CZ2-CD2 4.07Å; W345-F436 HydrophobicContact CE3-CB 4.3Å; W345-F436 HydrophobicContact CH2-CB 3.69Å; W345-F436 HydrophobicContact CH2-CD1 4.05Å; W345-F436 HydrophobicContact CH2-CD2 4.37Å; W345-F436 AromaticContact CH2-CG 3.77Å; W345-F436 HydrophobicContact CH2-CG 3.77Å; W345-F436 HydrophobicContact CZ3-CB 3.3Å; W345-F436 HydrophobicContact CZ3-CD1 4.33Å; W345-F436 AromaticContact CZ3-CD2 3.9Å; W345-F436 HydrophobicContact CZ3-CD2 3.9Å; W345-F436 AromaticContact CZ3-CG 3.58Å; W345-F436 HydrophobicContact CZ3-CG 3.58Å; W345-V438 HydrophobicContact CD2-CB 3.87Å; W345-V438 HydrophobicContact CD2-CG1 3.99Å; W345-V438 HydrophobicContact CE3-CB 4.35Å; W345-V438 HydrophobicContact CG-CB 4.36Å; W345-V438 HydrophobicContact CG-CG1 3.96Å; W345-V438 HydrophobicContact CH2-CB 4.28Å; W345-V438 HydrophobicContact CZ2-CB 3.79Å; W345-V438 HydrophobicContact CZ2-CG1 4.31Å; W345-V438 HydrophobicContact CZ2-CG2 3.99Å; W345-A443 HydrophobicContact CG-CB 4.21Å; W345-A455 PolarHBondContact NE1-O 3.32Å; W345-A455 VanDerWaalsContact NE1-O 3.12Å; W345-I456 VanDerWaalsContact CZ2-O 3.23Å; W345-I456 WeakPolarHBondContact CZ2-O 3.21Å; W345-I456 PolarHBondContact NE1-O 3.28Å
346	C	95.5	Very high	96.3	Very high	12 Å²	12	57 Å²	57	8%	0.081	31%	0.312	C	S	.	.			trans	-78.6	108.7	175.7	-175	0	0	0	0	110.1	K343 P344 T348 D349 S350	K343-C346 HydrophobicContact CB-CB 3.76Å; K343-C346 WeakPolarHBondContact O-CB 3.31Å; K343-C346 PolarHBondContact O-N 3.11Å; K343-C346 VanDerWaalsContact O-N 3.11Å; P344-C346 PolarHBondContact O-N 2.92Å; C346-T348 VanDerWaalsContact C-N 3.26Å; C346-T348 PolarHBondContact O-N 3.03Å; C346-D349 HydrophobicContact CB-CB 4.06Å; C346-D349 PolarHBondContact O-N 2.87Å; C346-S350 PolarHBondContact O-N 3Å; C346-S350 PolarHBondContact O-OG 3.39Å
347	K	93.1	Very high	96.5	Very high	162 Å²	162	52.3 Å²	52.3	70%	0.704	29%	0.287	S	S	*	.	H	α-helix	trans	-56.2	-39.2	-175.6	-68.5	-172.5	178	-172.7	0	112.9	W345 R351	W345-K347 PolarHBondContact O-N 3.22Å; K347-R351 WeakPolarHBondContact O-CB 3.31Å; K347-R351 PolarHBondContact O-N 2.92Å
348	T	96.7	Very high	96.7	Very high	102 Å²	102	52.2 Å²	52.2	63%	0.626	28%	0.278	S	S	*	.	H	α-helix	trans	-66.6	-51.4	179.7	-54.8	0	0	0	0	111.1	C346 S350 R351 T352	C346-T348 VanDerWaalsContact C-N 3.26Å; C346-T348 PolarHBondContact O-N 3.03Å; T348-S350 VanDerWaalsContact C-N 3.33Å; T348-S350 PolarHBondContact O-N 2.9Å; T348-R351 PolarHBondContact O-N 3.49Å; T348-T352 PolarHBondContact O-N 3.17Å; T348-T352 PolarHBondContact O-OG1 2.85Å
349	D	97.5	Very high	96.8	Very high	27 Å²	27	54.5 Å²	54.5	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-42.8	179.6	-69.5	1.3	0	0	0	111.2	P342 K343 C346 T352 F353	P342-D349 HydrophobicContact CB-CB 4.03Å; K343-D349 WeakPolarHBondContact CB-OD2 3.39Å; K343-D349 WeakPolarHBondContact CG-OD2 3.37Å; K343-D349 PolarHBondContact N-OD2 3.03Å; C346-D349 HydrophobicContact CB-CB 4.06Å; C346-D349 PolarHBondContact O-N 2.87Å; D349-T352 PolarHBondContact O-N 3.41Å; D349-F353 WeakPolarHBondContact O-CB 3.37Å; D349-F353 PolarHBondContact O-N 3.3Å
350	S	96	Very high	97	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-40.5	176.8	-63.1	0	0	0	0	112.3	C346 T348 F353 V354 M380 C384	C346-S350 PolarHBondContact O-N 3Å; C346-S350 PolarHBondContact O-OG 3.39Å; T348-S350 VanDerWaalsContact C-N 3.33Å; T348-S350 PolarHBondContact O-N 2.9Å; S350-F353 WeakPolarHBondContact O-CB 3.27Å; S350-F353 PolarHBondContact O-N 2.99Å; S350-V354 WeakPolarHBondContact O-CG2 3.38Å; S350-V354 PolarHBondContact O-N 3.31Å; S350-V354 VanDerWaalsContact O-N 3.08Å; S350-M380 VanDerWaalsContact C-SD 3.55Å; S350-C384 PolarHBondContact OG-N 3.49Å; S350-C384 PolarHBondContact OG-SG 2.82Å
351	R	97.4	Very high	97.2	Very high	121 Å²	121	49.7 Å²	49.7	46%	0.457	24%	0.238	S	C	.	.	H	α-helix	trans	-66.3	-43.3	176.3	-165.2	74.3	-171.6	166.2	11	111.1	K347 T348 F353 V354 D355 E376 M380	K347-R351 WeakPolarHBondContact O-CB 3.31Å; K347-R351 PolarHBondContact O-N 2.92Å; T348-R351 PolarHBondContact O-N 3.49Å; R351-F353 VanDerWaalsContact C-N 3.27Å; R351-F353 PolarHBondContact O-N 3.43Å; R351-V354 WeakPolarHBondContact O-CB 3.43Å; R351-V354 PolarHBondContact O-N 3.15Å; R351-V354 VanDerWaalsContact O-N 3.14Å; R351-D355 PolarHBondContact O-N 3.28Å; R351-E376 IonicContact CZ-OE2 3.54Å; R351-E376 IonicContact NH1-OE2 3.28Å; R351-E376 PolarHBondContact NH1-OE2 3.06Å; R351-E376 IonicContact NH2-OE1 2.61Å; R351-E376 IonicContact NH2-OE2 3.03Å; R351-E376 PolarHBondContact NH2-OE2 3.1Å; R351-M380 HydrophobicContact CB-SD 4.33Å
352	T	98	Very high	97.3	Very high	47 Å²	47	52.5 Å²	52.5	29%	0.288	25%	0.25	S	C	.	.	H	α-helix	trans	-60.2	-39.3	173.3	-59.6	0	0	0	0	111.3	Y334 T348 D349 V354 D355 Y356	Y334-T352 HydrophobicContact CD2-CG2 4.47Å; Y334-T352 HydrophobicContact CE2-CG2 3.94Å; T348-T352 PolarHBondContact O-N 3.17Å; T348-T352 PolarHBondContact O-OG1 2.85Å; D349-T352 PolarHBondContact O-N 3.41Å; T352-V354 VanDerWaalsContact C-N 3.33Å; T352-V354 PolarHBondContact O-N 3.42Å; T352-D355 WeakPolarHBondContact O-CB 3.42Å; T352-D355 PolarHBondContact O-N 2.94Å; T352-D355 VanDerWaalsContact O-N 3.13Å; T352-Y356 HydrophobicContact CG2-CD2 4.25Å; T352-Y356 HydrophobicContact CG2-CE2 4.01Å; T352-Y356 WeakPolarHBondContact O-CD2 3.3Å; T352-Y356 PolarHBondContact O-N 2.8Å
353	F	98.4	Very high	97.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-41.5	174.5	171	-100.4	0	0	0	112.4	F327 A330 L331 Y334 P342 D349 S350 R351 D355 Y356 V357 A379 F382	F327-F353 HydrophobicContact CB-CZ 3.99Å; F327-F353 HydrophobicContact CG-CZ 4.45Å; A330-F353 HydrophobicContact CB-CE2 3.86Å; A330-F353 HydrophobicContact CB-CZ 4.26Å; L331-F353 HydrophobicContact CB-CE2 4Å; L331-F353 HydrophobicContact CD1-CD2 4.38Å; L331-F353 HydrophobicContact CD1-CE2 4.1Å; Y334-F353 HydrophobicContact CD2-CB 4.32Å; P342-F353 HydrophobicContact CG-CB 4.2Å; P342-F353 HydrophobicContact CG-CD2 4.4Å; P342-F353 HydrophobicContact CG-CG 4.47Å; D349-F353 WeakPolarHBondContact O-CB 3.37Å; D349-F353 PolarHBondContact O-N 3.3Å; S350-F353 WeakPolarHBondContact O-CB 3.27Å; S350-F353 PolarHBondContact O-N 2.99Å; R351-F353 VanDerWaalsContact C-N 3.27Å; R351-F353 PolarHBondContact O-N 3.43Å; F353-D355 VanDerWaalsContact C-N 3.26Å; F353-D355 PolarHBondContact O-N 3.09Å; F353-Y356 WeakPolarHBondContact O-CA 3.45Å; F353-Y356 WeakPolarHBondContact O-CB 3.45Å; F353-Y356 PolarHBondContact O-N 3.02Å; F353-V357 HydrophobicContact CD1-CG2 4.22Å; F353-V357 HydrophobicContact CE1-CG2 3.68Å; F353-V357 HydrophobicContact CE2-CG2 4.24Å; F353-V357 HydrophobicContact CZ-CG2 3.69Å; F353-V357 PolarHBondContact O-N 3.31Å; F353-A379 WeakPolarHBondContact CD1-O 3.26Å; F353-A379 HydrophobicContact CE1-CB 4.43Å; F353-A379 WeakPolarHBondContact CE1-O 3.23Å; F353-F382 HydrophobicContact CE1-CB 4.16Å; F353-F382 AromaticContact CE1-CD1 3.58Å; F353-F382 HydrophobicContact CE1-CD1 3.58Å; F353-F382 HydrophobicContact CE1-CE1 4.4Å; F353-F382 HydrophobicContact CE1-CG 4.22Å; F353-F382 HydrophobicContact CE2-CD1 4.13Å; F353-F382 HydrophobicContact CE2-CE1 4.2Å; F353-F382 AromaticContact CZ-CD1 3.32Å; F353-F382 HydrophobicContact CZ-CD1 3.32Å; F353-F382 AromaticContact CZ-CE1 3.7Å; F353-F382 HydrophobicContact CZ-CE1 3.7Å; F353-F382 HydrophobicContact CZ-CG 4.23Å
354	V	98.5	Very high	97.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-38.5	173.9	176.6	0	0	0	0	111.6	S350 R351 T352 Y356 V357 H358 E376 A379 M380	S350-V354 WeakPolarHBondContact O-CG2 3.38Å; S350-V354 PolarHBondContact O-N 3.31Å; S350-V354 VanDerWaalsContact O-N 3.08Å; R351-V354 WeakPolarHBondContact O-CB 3.43Å; R351-V354 PolarHBondContact O-N 3.15Å; R351-V354 VanDerWaalsContact O-N 3.14Å; T352-V354 VanDerWaalsContact C-N 3.33Å; T352-V354 PolarHBondContact O-N 3.42Å; V354-Y356 VanDerWaalsContact C-N 3.31Å; V354-Y356 PolarHBondContact O-N 3.47Å; V354-V357 WeakPolarHBondContact O-CB 3.38Å; V354-V357 PolarHBondContact O-N 3.39Å; V354-V357 VanDerWaalsContact O-N 3.12Å; V354-H358 PolarHBondContact O-CD2 3.37Å; V354-H358 PolarHBondContact O-N 3.06Å; V354-E376 HydrophobicContact CG1-CB 4.3Å; V354-E376 HydrophobicContact CG1-CG 3.84Å; V354-A379 HydrophobicContact CG2-CB 3.83Å; V354-M380 HydrophobicContact CG2-CG 3.75Å; V354-M380 HydrophobicContact CG2-SD 3.64Å
355	D	98.4	Very high	96.9	Very high	91 Å²	91	56.5 Å²	56.5	49%	0.487	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-38	175.7	-57.4	-34.5	0	0	0	111.9	R351 T352 F353 V357 H358 K359	R351-D355 PolarHBondContact O-N 3.28Å; T352-D355 WeakPolarHBondContact O-CB 3.42Å; T352-D355 PolarHBondContact O-N 2.94Å; T352-D355 VanDerWaalsContact O-N 3.13Å; F353-D355 VanDerWaalsContact C-N 3.26Å; F353-D355 PolarHBondContact O-N 3.09Å; D355-V357 VanDerWaalsContact C-N 3.35Å; D355-H358 PolarHBondContact O-N 3.1Å; D355-K359 WeakPolarHBondContact O-CB 3.34Å; D355-K359 PolarHBondContact O-N 3.29Å
356	Y	98.4	Very high	96.7	Very high	45 Å²	45	63.5 Å²	63.5	18%	0.176	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-37.8	172.8	-84.1	-97.8	0	0	0	112	N333 Y334 S337 T352 F353 V354 K359 V360	N333-Y356 HydrophobicContact CB-CD1 3.82Å; N333-Y356 HydrophobicContact CB-CE1 4.2Å; Y334-Y356 AromaticContact CD2-CD2 3.87Å; Y334-Y356 HydrophobicContact CD2-CD2 3.87Å; Y334-Y356 AromaticContact CD2-CE2 3.99Å; Y334-Y356 HydrophobicContact CD2-CE2 3.99Å; S337-Y356 WeakPolarHBondContact CB-OH 3.36Å; S337-Y356 PolarHBondContact OG-OH 3.41Å; T352-Y356 HydrophobicContact CG2-CD2 4.25Å; T352-Y356 HydrophobicContact CG2-CE2 4.01Å; T352-Y356 WeakPolarHBondContact O-CD2 3.3Å; T352-Y356 PolarHBondContact O-N 2.8Å; F353-Y356 WeakPolarHBondContact O-CA 3.45Å; F353-Y356 WeakPolarHBondContact O-CB 3.45Å; F353-Y356 PolarHBondContact O-N 3.02Å; V354-Y356 VanDerWaalsContact C-N 3.31Å; V354-Y356 PolarHBondContact O-N 3.47Å; Y356-K359 PolarHBondContact O-N 3.24Å; Y356-V360 WeakPolarHBondContact O-CG2 3.35Å; Y356-V360 PolarHBondContact O-N 3.2Å
357	V	98.5	Very high	96.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-48.5	175.1	174.2	0	0	0	0	110.5	F327 A330 F353 V354 D355 K359 V360 N361 I374 A379	F327-V357 HydrophobicContact CD1-CB 4.42Å; F327-V357 HydrophobicContact CD1-CG1 3.73Å; F327-V357 HydrophobicContact CD1-CG2 3.71Å; F327-V357 HydrophobicContact CE1-CG1 3.72Å; F327-V357 HydrophobicContact CE1-CG2 4.28Å; A330-V357 HydrophobicContact CB-CB 4.27Å; A330-V357 HydrophobicContact CB-CG2 3.56Å; F353-V357 HydrophobicContact CD1-CG2 4.22Å; F353-V357 HydrophobicContact CE1-CG2 3.68Å; F353-V357 HydrophobicContact CE2-CG2 4.24Å; F353-V357 HydrophobicContact CZ-CG2 3.69Å; F353-V357 PolarHBondContact O-N 3.31Å; V354-V357 WeakPolarHBondContact O-CB 3.38Å; V354-V357 PolarHBondContact O-N 3.39Å; V354-V357 VanDerWaalsContact O-N 3.12Å; D355-V357 VanDerWaalsContact C-N 3.35Å; V357-K359 VanDerWaalsContact C-N 3.31Å; V357-K359 PolarHBondContact O-N 3.03Å; V357-V360 PolarHBondContact O-N 3.07Å; V357-N361 PolarHBondContact O-N 2.7Å; V357-I374 HydrophobicContact CG1-CD1 3.65Å; V357-I374 HydrophobicContact CG1-CG1 4.1Å; V357-I374 HydrophobicContact CG1-CG2 3.77Å; V357-A379 HydrophobicContact CG2-CB 4.37Å
358	H	98.5	Very high	96.8	Very high	73 Å²	73	60.1 Å²	60.1	34%	0.338	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-44.4	174.9	-80.4	-65.3	0	0	0	111.9	V354 D355 V360 N361 E362 E376	V354-H358 PolarHBondContact O-CD2 3.37Å; V354-H358 PolarHBondContact O-N 3.06Å; D355-H358 PolarHBondContact O-N 3.1Å; H358-V360 PolarHBondContact O-N 3.48Å; H358-N361 PolarHBondContact O-N 3.42Å; H358-E362 PolarHBondContact O-N 2.95Å; H358-E376 IonicContact CD2-OE1 2.66Å; H358-E376 IonicContact CE1-OE1 2.95Å; H358-E376 IonicContact NE2-OE1 3.87Å; H358-E376 PolarHBondContact NE2-OE1 2.55Å
359	K	98	Very high	96.7	Very high	125 Å²	125	55.3 Å²	55.3	54%	0.543	28%	0.279	S	S	.	.	H	α-helix	trans	-61.5	-42.8	177.3	-174.6	178.3	-179.5	179.8	0	112.3	D355 Y356 V357 E362 Q363	D355-K359 WeakPolarHBondContact O-CB 3.34Å; D355-K359 PolarHBondContact O-N 3.29Å; Y356-K359 PolarHBondContact O-N 3.24Å; V357-K359 VanDerWaalsContact C-N 3.31Å; V357-K359 PolarHBondContact O-N 3.03Å; K359-E362 PolarHBondContact O-N 2.62Å; K359-Q363 VanDerWaalsContact O-CG 3.26Å; K359-Q363 WeakPolarHBondContact O-CG 3.45Å; K359-Q363 PolarHBondContact O-N 3.4Å
360	V	97.3	Very high	96.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-42.5	176.4	170.5	0	0	0	0	110.5	L326 K329 A330 N333 Y356 V357 H358 E362 Q363 M364	L326-V360 HydrophobicContact CD2-CG1 3.99Å; K329-V360 HydrophobicContact CB-CG1 4.19Å; K329-V360 HydrophobicContact CG-CG1 4.01Å; K329-V360 HydrophobicContact CG-CG2 4.19Å; A330-V360 HydrophobicContact CB-CG2 4.18Å; N333-V360 VanDerWaalsContact ND2-CG2 3.32Å; N333-V360 WeakPolarHBondContact ND2-CG2 3.37Å; Y356-V360 WeakPolarHBondContact O-CG2 3.35Å; Y356-V360 PolarHBondContact O-N 3.2Å; V357-V360 PolarHBondContact O-N 3.07Å; H358-V360 PolarHBondContact O-N 3.48Å; V360-E362 VanDerWaalsContact C-N 3.34Å; V360-E362 PolarHBondContact O-N 3.05Å; V360-Q363 WeakPolarHBondContact O-CB 3.39Å; V360-Q363 PolarHBondContact O-N 2.92Å; V360-M364 HydrophobicContact CG1-CE 4.46Å; V360-M364 HydrophobicContact CG1-CG 4.33Å; V360-M364 WeakPolarHBondContact O-CG 3.25Å; V360-M364 PolarHBondContact O-N 3.39Å; V360-M364 VanDerWaalsContact O-N 3.1Å
361	N	98.1	Very high	96.8	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.112	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-42.3	177.6	-164.6	39.7	0	0	0	112.4	L326 V357 H358 Q363 M364 K365 S370 V371 I374	L326-N361 HydrophobicContact CD1-CB 4.04Å; L326-N361 WeakPolarHBondContact CD1-OD1 3.43Å; V357-N361 PolarHBondContact O-N 2.7Å; H358-N361 PolarHBondContact O-N 3.42Å; N361-Q363 VanDerWaalsContact C-N 3.32Å; N361-Q363 PolarHBondContact O-N 3.48Å; N361-M364 CarbonylContact O-C 3.59Å; N361-M364 WeakPolarHBondContact O-CA 3.39Å; N361-M364 PolarHBondContact O-N 2.9Å; N361-K365 PolarHBondContact O-N 3.48Å; N361-K365 VanDerWaalsContact O-N 3.16Å; N361-S370 VanDerWaalsContact OD1-CA 3.29Å; N361-S370 WeakPolarHBondContact OD1-CA 3.06Å; N361-S370 WeakPolarHBondContact OD1-CB 3.18Å; N361-V371 PolarHBondContact ND2-O 3.5Å; N361-V371 PolarHBondContact OD1-N 3.14Å; N361-V371 PolarHBondContact OD1-O 2.7Å; N361-I374 HydrophobicContact CB-CD1 3.89Å; N361-I374 HydrophobicContact CB-CG1 4.39Å
362	E	97.5	Very high	96.6	Very high	112 Å²	112	57.3 Å²	57.3	52%	0.523	31%	0.313	S	S	.	.	H	α-helix	trans	-64.4	-37.1	175.8	-171.5	63.4	-158.2	0	0	111.8	H358 K359 V360 M364 K365	H358-E362 PolarHBondContact O-N 2.95Å; K359-E362 PolarHBondContact O-N 2.62Å; V360-E362 VanDerWaalsContact C-N 3.34Å; V360-E362 PolarHBondContact O-N 3.05Å; E362-M364 PolarHBondContact O-N 2.56Å; E362-K365 WeakPolarHBondContact O-CB 3.3Å; E362-K365 PolarHBondContact O-N 2.81Å; E362-K365 WeakPolarHBondContact OE1-CD 3.23Å; E362-K365 IonicContact OE1-NZ 3.79Å; E362-K365 PolarHBondContact OE1-NZ 2.95Å; E362-K365 IonicContact OE2-NZ 3.8Å; E362-K365 PolarHBondContact OE2-NZ 3.4Å
363	Q	95.6	Very high	96.6	Very high	111 Å²	111	58.9 Å²	58.9	52%	0.519	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-24.1	172.5	-71.5	170.8	-5.7	0	0	112.8	K359 V360 N361	K359-Q363 VanDerWaalsContact O-CG 3.26Å; K359-Q363 WeakPolarHBondContact O-CG 3.45Å; K359-Q363 PolarHBondContact O-N 3.4Å; V360-Q363 WeakPolarHBondContact O-CB 3.39Å; V360-Q363 PolarHBondContact O-N 2.92Å; N361-Q363 VanDerWaalsContact C-N 3.32Å; N361-Q363 PolarHBondContact O-N 3.48Å
364	M	95.1	Very high	96.6	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-1.2	-176.1	-63.5	-69.8	164.8	0	0	113.7	Y305 Y306 L326 V360 N361 E362 N366 T367 A369 S370	Y305-M364 HydrophobicContact CD1-CE 4.12Å; Y305-M364 HydrophobicContact CE1-CE 3.54Å; Y305-M364 HydrophobicContact CE1-SD 4.35Å; Y306-M364 HydrophobicContact CD1-CE 3.99Å; Y306-M364 HydrophobicContact CD1-SD 3.33Å; Y306-M364 WeakPolarHBondContact CD1-SD 3.49Å; Y306-M364 HydrophobicContact CE1-CE 3.42Å; Y306-M364 VanDerWaalsContact CE1-CE 3.42Å; Y306-M364 HydrophobicContact CE1-SD 3.34Å; Y306-M364 WeakPolarHBondContact CE1-SD 3.41Å; L326-M364 HydrophobicContact CD2-CG 4.16Å; V360-M364 HydrophobicContact CG1-CE 4.46Å; V360-M364 HydrophobicContact CG1-CG 4.33Å; V360-M364 WeakPolarHBondContact O-CG 3.25Å; V360-M364 PolarHBondContact O-N 3.39Å; V360-M364 VanDerWaalsContact O-N 3.1Å; N361-M364 CarbonylContact O-C 3.59Å; N361-M364 WeakPolarHBondContact O-CA 3.39Å; N361-M364 PolarHBondContact O-N 2.9Å; E362-M364 PolarHBondContact O-N 2.56Å; M364-N366 PolarHBondContact O-N 2.98Å; M364-T367 WeakPolarHBondContact O-CB 2.92Å; M364-T367 PolarHBondContact O-N 3.49Å; M364-T367 PolarHBondContact O-OG1 3.39Å; M364-A369 HydrophobicContact SD-CB 4.37Å; M364-S370 WeakPolarHBondContact O-CB 3.24Å; M364-S370 PolarHBondContact O-OG 3.12Å
365	K	93.3	Very high	96.5	Very high	117 Å²	117	62.7 Å²	62.7	51%	0.509	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-22	-165.5	-159.5	174.6	-164.2	153.2	0	117.1	N361 E362	N361-K365 PolarHBondContact O-N 3.48Å; N361-K365 VanDerWaalsContact O-N 3.16Å; E362-K365 WeakPolarHBondContact O-CB 3.3Å; E362-K365 PolarHBondContact O-N 2.81Å; E362-K365 WeakPolarHBondContact OE1-CD 3.23Å; E362-K365 IonicContact OE1-NZ 3.79Å; E362-K365 PolarHBondContact OE1-NZ 2.95Å; E362-K365 IonicContact OE2-NZ 3.8Å; E362-K365 PolarHBondContact OE2-NZ 3.4Å
366	N	91.9	Very high	96.5	Very high	165 Å²	165	61.5 Å²	61.5	88%	0.882	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	24.5	179.2	-62.4	-40.4	0	0	0	112.6	M364	M364-N366 PolarHBondContact O-N 2.98Å
367	T	95.3	Very high	96.3	Very high	45 Å²	45	64.4 Å²	64.4	28%	0.276	35%	0.351	S	S	.	.	S	Bend	trans	-126	168.4	-176.8	76.6	0	0	0	0	109.5	Y306 M364 A369 S370	Y306-T367 HydrophobicContact CD1-CG2 3.98Å; Y306-T367 WeakPolarHBondContact O-CB 3.22Å; M364-T367 WeakPolarHBondContact O-CB 2.92Å; M364-T367 PolarHBondContact O-N 3.49Å; M364-T367 PolarHBondContact O-OG1 3.39Å; T367-A369 PolarHBondContact O-N 2.85Å; T367-A369 PolarHBondContact OG1-N 3.28Å; T367-S370 PolarHBondContact O-OG 3.06Å
368	G	93.6	Very high	96.2	Very high	57 Å²	57	64.5 Å²	64.5	59%	0.588	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.2	176.4	0	0	0	0	0	113.8	Y306	Y306-G368 PolarHBondContact O-N 3.14Å
369	A	96.3	Very high	96.2	Very high	1 Å²	1	61 Å²	61	1%	0.008	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-17.4	-174.5	0	0	0	0	0	114.5	Y305 P308 M364 T367	Y305-A369 WeakPolarHBondContact O-CB 3.45Å; P308-A369 HydrophobicContact CG-CB 4.09Å; M364-A369 HydrophobicContact SD-CB 4.37Å; T367-A369 PolarHBondContact O-N 2.85Å; T367-A369 PolarHBondContact OG1-N 3.28Å
370	S	96.8	Very high	96.1	Very high	38 Å²	38	57.2 Å²	57.2	27%	0.266	32%	0.321	S	S	.	.			trans	-74.6	150.1	179.6	56.6	0	0	0	0	112.5	N361 M364 T367	N361-S370 VanDerWaalsContact OD1-CA 3.29Å; N361-S370 WeakPolarHBondContact OD1-CA 3.06Å; N361-S370 WeakPolarHBondContact OD1-CB 3.18Å; M364-S370 WeakPolarHBondContact O-CB 3.24Å; M364-S370 PolarHBondContact O-OG 3.12Å; T367-S370 PolarHBondContact O-OG 3.06Å
371	V	97	Very high	96.1	Very high	22 Å²	22	57.9 Å²	57.9	13%	0.133	32%	0.324	C	S	.	.			trans	-110.7	152.8	172.8	-60.2	0	0	0	0	110.9	A322 L326 N361 S373 I374	A322-V371 HydrophobicContact CB-CG1 3.66Å; L326-V371 HydrophobicContact CD1-CG1 4.24Å; L326-V371 HydrophobicContact CD1-CG2 3.71Å; N361-V371 PolarHBondContact ND2-O 3.5Å; N361-V371 PolarHBondContact OD1-N 3.14Å; N361-V371 PolarHBondContact OD1-O 2.7Å; V371-S373 VanDerWaalsContact C-N 3.35Å; V371-S373 VanDerWaalsContact CG2-O 3.32Å; V371-S373 WeakPolarHBondContact CG2-O 3.35Å; V371-I374 HydrophobicContact CG2-CD1 3.55Å
372	S	95.2	Very high	96.1	Very high	130 Å²	130	56.9 Å²	56.9	91%	0.909	32%	0.319	S	S	*	.	S	Bend	trans	-66	-36.3	-179.8	53.8	0	0	0	0	112.9
373	S	96.7	Very high	96.1	Very high	80 Å²	80	51.6 Å²	51.6	56%	0.559	29%	0.294	S	S	*	.	S	Bend	trans	-143.8	143.8	174.5	56.7	0	0	0	0	110.8	Q323 V371	Q323-S373 PolarHBondContact NE2-O 3.44Å; V371-S373 VanDerWaalsContact C-N 3.35Å; V371-S373 VanDerWaalsContact CG2-O 3.32Å; V371-S373 WeakPolarHBondContact CG2-O 3.35Å
374	I	98.1	Very high	96.1	Very high	20 Å²	20	46.9 Å²	46.9	10%	0.103	27%	0.273	C	S	.	.			trans	-82	131.5	174.3	-64.1	-57.9	0	0	0	109.6	L326 V357 N361 V371 E376 A379	L326-I374 HydrophobicContact CD1-CD1 3.86Å; V357-I374 HydrophobicContact CG1-CD1 3.65Å; V357-I374 HydrophobicContact CG1-CG1 4.1Å; V357-I374 HydrophobicContact CG1-CG2 3.77Å; N361-I374 HydrophobicContact CB-CD1 3.89Å; N361-I374 HydrophobicContact CB-CG1 4.39Å; V371-I374 HydrophobicContact CG2-CD1 3.55Å; I374-E376 VanDerWaalsContact C-N 3.34Å; I374-E376 HydrophobicContact CG2-CG 4.4Å; I374-E376 PolarHBondContact O-N 3.43Å; I374-A379 HydrophobicContact CG2-CB 4.47Å
375	D	97.6	Very high	96.2	Very high	61 Å²	61	46.8 Å²	46.8	33%	0.326	27%	0.273	S	S	.	.			trans	-74.9	88.6	164.6	-174.2	-18.7	0	0	0	109.1	Q323 K377 L378 A379	Q323-D375 HydrophobicContact CG-CB 4.43Å; D375-K377 PolarHBondContact O-N 3.17Å; D375-K377 PolarHBondContact OD1-N 3.42Å; D375-K377 VanDerWaalsContact OD1-N 3.12Å; D375-L378 HydrophobicContact CB-CB 3.98Å; D375-L378 VanDerWaalsContact CG-CB 3.43Å; D375-L378 PolarHBondContact O-N 3.21Å; D375-L378 PolarHBondContact OD1-N 2.9Å; D375-L378 WeakPolarHBondContact OD2-CB 3.16Å; D375-A379 WeakPolarHBondContact O-CB 3.41Å; D375-A379 PolarHBondContact O-N 3.49Å
376	E	97.4	Very high	96.4	Very high	66 Å²	66	41.4 Å²	41.4	31%	0.308	25%	0.25	S	C	.	.	H	α-helix	trans	-61.7	-30.7	-179.5	-67.5	-160.9	175.7	0	0	112.4	R351 V354 H358 I374 A379 M380	R351-E376 IonicContact CZ-OE2 3.54Å; R351-E376 IonicContact NH1-OE2 3.28Å; R351-E376 PolarHBondContact NH1-OE2 3.06Å; R351-E376 IonicContact NH2-OE1 2.61Å; R351-E376 IonicContact NH2-OE2 3.03Å; R351-E376 PolarHBondContact NH2-OE2 3.1Å; V354-E376 HydrophobicContact CG1-CB 4.3Å; V354-E376 HydrophobicContact CG1-CG 3.84Å; H358-E376 IonicContact CD2-OE1 2.66Å; H358-E376 IonicContact CE1-OE1 2.95Å; H358-E376 IonicContact NE2-OE1 3.87Å; H358-E376 PolarHBondContact NE2-OE1 2.55Å; I374-E376 VanDerWaalsContact C-N 3.34Å; I374-E376 HydrophobicContact CG2-CG 4.4Å; I374-E376 PolarHBondContact O-N 3.43Å; E376-A379 PolarHBondContact O-N 2.79Å; E376-M380 WeakPolarHBondContact O-CB 3.29Å; E376-M380 WeakPolarHBondContact O-CG 3.46Å; E376-M380 PolarHBondContact O-N 3.36Å
377	K	95.1	Very high	96.6	Very high	105 Å²	105	35.6 Å²	35.6	46%	0.457	22%	0.222	S	C	.	.	H	α-helix	trans	-67.3	-46.7	179	-174.9	175.4	-179	173.8	0	109.6	D375 M380 I381	D375-K377 PolarHBondContact O-N 3.17Å; D375-K377 PolarHBondContact OD1-N 3.42Å; D375-K377 VanDerWaalsContact OD1-N 3.12Å; K377-M380 PolarHBondContact O-N 3.12Å; K377-I381 HydrophobicContact CG-CD1 4.39Å; K377-I381 VanDerWaalsContact O-CG1 3.29Å; K377-I381 WeakPolarHBondContact O-CG1 3.5Å; K377-I381 PolarHBondContact O-N 3.45Å
378	L	96.5	Very high	96.6	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-41.3	176.2	-168.4	69.6	0	0	0	112	F190 R320 Q323 I324 F327 D375 M380 I381 F382 T425	F190-L378 HydrophobicContact CE1-CD1 4.04Å; F190-L378 HydrophobicContact CE1-CG 4.42Å; F190-L378 HydrophobicContact CZ-CD1 4.11Å; R320-L378 HydrophobicContact CB-CD2 4.43Å; R320-L378 HydrophobicContact CG-CD2 4.04Å; Q323-L378 HydrophobicContact CB-CD2 4.34Å; I324-L378 HydrophobicContact CG1-CD2 4.34Å; F327-L378 HydrophobicContact CE2-CB 4.24Å; F327-L378 HydrophobicContact CE2-CD2 3.79Å; F327-L378 HydrophobicContact CE2-CG 3.77Å; F327-L378 HydrophobicContact CZ-CB 4.31Å; F327-L378 HydrophobicContact CZ-CD2 4.19Å; F327-L378 HydrophobicContact CZ-CG 4.28Å; D375-L378 HydrophobicContact CB-CB 3.98Å; D375-L378 VanDerWaalsContact CG-CB 3.43Å; D375-L378 PolarHBondContact O-N 3.21Å; D375-L378 PolarHBondContact OD1-N 2.9Å; D375-L378 WeakPolarHBondContact OD2-CB 3.16Å; L378-M380 PolarHBondContact O-N 3.46Å; L378-I381 PolarHBondContact O-N 3.07Å; L378-F382 PolarHBondContact O-N 3.42Å; L378-T425 HydrophobicContact CD1-CG2 4.1Å
379	A	98	Very high	96.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-41	175	0	0	0	0	0	112.3	F327 F353 V354 V357 I374 D375 E376 F382 G383	F327-A379 HydrophobicContact CD1-CB 4.38Å; F327-A379 HydrophobicContact CE1-CB 3.77Å; F327-A379 HydrophobicContact CE2-CB 4.47Å; F327-A379 HydrophobicContact CZ-CB 3.81Å; F353-A379 WeakPolarHBondContact CD1-O 3.26Å; F353-A379 HydrophobicContact CE1-CB 4.43Å; F353-A379 WeakPolarHBondContact CE1-O 3.23Å; V354-A379 HydrophobicContact CG2-CB 3.83Å; V357-A379 HydrophobicContact CG2-CB 4.37Å; I374-A379 HydrophobicContact CG2-CB 4.47Å; D375-A379 WeakPolarHBondContact O-CB 3.41Å; D375-A379 PolarHBondContact O-N 3.49Å; E376-A379 PolarHBondContact O-N 2.79Å; A379-F382 PolarHBondContact O-N 3.43Å; A379-G383 PolarHBondContact O-N 2.91Å
380	M	96.4	Very high	96.8	Very high	45 Å²	45	32.2 Å²	32.2	22%	0.222	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-45	173.8	-77.7	-66.2	-63.9	0	0	111.5	S350 R351 V354 E376 K377 L378 G383 C384	S350-M380 VanDerWaalsContact C-SD 3.55Å; R351-M380 HydrophobicContact CB-SD 4.33Å; V354-M380 HydrophobicContact CG2-CG 3.75Å; V354-M380 HydrophobicContact CG2-SD 3.64Å; E376-M380 WeakPolarHBondContact O-CB 3.29Å; E376-M380 WeakPolarHBondContact O-CG 3.46Å; E376-M380 PolarHBondContact O-N 3.36Å; K377-M380 PolarHBondContact O-N 3.12Å; L378-M380 PolarHBondContact O-N 3.46Å; M380-G383 PolarHBondContact O-N 3.34Å; M380-C384 PolarHBondContact O-N 2.86Å; M380-C384 PolarHBondContact O-SG 3.21Å
381	I	96.3	Very high	96.9	Very high	14 Å²	14	30.5 Å²	30.5	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-60.1	-47.6	176.3	-66.8	162.9	0	0	0	110.2	F190 K377 L378 G383 C384 V385 T425 L428 F436	F190-I381 HydrophobicContact CE2-CG2 4.22Å; F190-I381 HydrophobicContact CZ-CG2 4.19Å; K377-I381 HydrophobicContact CG-CD1 4.39Å; K377-I381 VanDerWaalsContact O-CG1 3.29Å; K377-I381 WeakPolarHBondContact O-CG1 3.5Å; K377-I381 PolarHBondContact O-N 3.45Å; L378-I381 PolarHBondContact O-N 3.07Å; I381-G383 VanDerWaalsContact C-N 3.33Å; I381-G383 PolarHBondContact O-N 2.97Å; I381-C384 WeakPolarHBondContact O-CB 3.25Å; I381-C384 PolarHBondContact O-N 3.24Å; I381-C384 VanDerWaalsContact O-N 3.1Å; I381-V385 WeakPolarHBondContact O-CG2 3.44Å; I381-V385 PolarHBondContact O-N 2.93Å; I381-T425 HydrophobicContact CG2-CG2 3.96Å; I381-L428 HydrophobicContact CG2-CD1 3.67Å; I381-F436 HydrophobicContact CD1-CE2 3.9Å; I381-F436 HydrophobicContact CD1-CZ 3.47Å; I381-F436 VanDerWaalsContact CD1-CZ 3.47Å; I381-F436 HydrophobicContact CG1-CE2 3.53Å; I381-F436 HydrophobicContact CG1-CZ 3.54Å
382	F	98	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.7	-49.3	176.5	-172.7	-78.3	0	0	0	110.9	C187 F190 F327 F328 L331 F353 L378 A379 C384 V385 C386	C187-F382 HydrophobicContact CB-CE2 4.23Å; C187-F382 HydrophobicContact CB-CZ 3.95Å; F190-F382 HydrophobicContact CB-CD2 4.05Å; F190-F382 HydrophobicContact CB-CE2 3.85Å; F190-F382 AromaticContact CD1-CD2 3.84Å; F190-F382 HydrophobicContact CD1-CD2 3.84Å; F190-F382 HydrophobicContact CD1-CE2 4.37Å; F190-F382 HydrophobicContact CD2-CB 4.48Å; F190-F382 AromaticContact CD2-CD2 3.55Å; F190-F382 HydrophobicContact CD2-CD2 3.55Å; F190-F382 HydrophobicContact CD2-CE2 4.15Å; F190-F382 HydrophobicContact CD2-CG 4.3Å; F190-F382 HydrophobicContact CE1-CD2 4.13Å; F190-F382 HydrophobicContact CE2-CB 3.99Å; F190-F382 AromaticContact CE2-CD2 3.88Å; F190-F382 HydrophobicContact CE2-CD2 3.88Å; F190-F382 HydrophobicContact CE2-CG 4.3Å; F190-F382 AromaticContact CG-CD2 3.53Å; F190-F382 HydrophobicContact CG-CD2 3.53Å; F190-F382 AromaticContact CG-CE2 3.88Å; F190-F382 HydrophobicContact CG-CE2 3.88Å; F190-F382 HydrophobicContact CZ-CB 4.09Å; F190-F382 HydrophobicContact CZ-CD2 4.14Å; F327-F382 HydrophobicContact CB-CD1 4.16Å; F327-F382 HydrophobicContact CB-CD2 4.03Å; F327-F382 HydrophobicContact CB-CE1 4.16Å; F327-F382 HydrophobicContact CB-CE2 4.03Å; F327-F382 HydrophobicContact CB-CG 4.09Å; F327-F382 HydrophobicContact CB-CZ 4.1Å; F327-F382 HydrophobicContact CD2-CB 3.95Å; F327-F382 AromaticContact CD2-CD2 3.82Å; F327-F382 HydrophobicContact CD2-CD2 3.82Å; F327-F382 AromaticContact CD2-CG 3.93Å; F327-F382 HydrophobicContact CD2-CG 3.93Å; F327-F382 HydrophobicContact CE2-CB 4.46Å; F327-F382 HydrophobicContact CG-CD2 4.4Å; F327-F382 HydrophobicContact CG-CG 4.35Å; F328-F382 HydrophobicContact CD2-CE2 4.36Å; F328-F382 HydrophobicContact CD2-CZ 4.43Å; F328-F382 HydrophobicContact CE2-CE2 4.1Å; F328-F382 HydrophobicContact CE2-CZ 4.43Å; F328-F382 HydrophobicContact CZ-CE2 4.44Å; L331-F382 HydrophobicContact CB-CE1 4.1Å; L331-F382 HydrophobicContact CD1-CE1 4.12Å; L331-F382 HydrophobicContact CD2-CE1 3.87Å; L331-F382 HydrophobicContact CD2-CZ 4.08Å; L331-F382 HydrophobicContact CG-CE1 4.24Å; F353-F382 HydrophobicContact CE1-CB 4.16Å; F353-F382 AromaticContact CE1-CD1 3.58Å; F353-F382 HydrophobicContact CE1-CD1 3.58Å; F353-F382 HydrophobicContact CE1-CE1 4.4Å; F353-F382 HydrophobicContact CE1-CG 4.22Å; F353-F382 HydrophobicContact CE2-CD1 4.13Å; F353-F382 HydrophobicContact CE2-CE1 4.2Å; F353-F382 AromaticContact CZ-CD1 3.32Å; F353-F382 HydrophobicContact CZ-CD1 3.32Å; F353-F382 AromaticContact CZ-CE1 3.7Å; F353-F382 HydrophobicContact CZ-CE1 3.7Å; F353-F382 HydrophobicContact CZ-CG 4.23Å; L378-F382 PolarHBondContact O-N 3.42Å; A379-F382 PolarHBondContact O-N 3.43Å; F382-C384 VanDerWaalsContact C-N 3.3Å; F382-C384 PolarHBondContact O-N 3.05Å; F382-V385 PolarHBondContact O-N 2.87Å; F382-C386 HydrophobicContact CD1-CB 4.03Å; F382-C386 HydrophobicContact CE1-CB 3.85Å; F382-C386 HydrophobicContact CZ-CB 4.48Å; F382-C386 WeakPolarHBondContact O-CA 3.41Å; F382-C386 WeakPolarHBondContact O-CB 3.45Å; F382-C386 PolarHBondContact O-N 3.43Å
383	G	97.5	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.4	-43.6	174.8	0	0	0	0	0	112.7	P342 A379 M380 I381 V385 C386	P342-G383 WeakPolarHBondContact CB-O 3.41Å; A379-G383 PolarHBondContact O-N 2.91Å; M380-G383 PolarHBondContact O-N 3.34Å; I381-G383 VanDerWaalsContact C-N 3.33Å; I381-G383 PolarHBondContact O-N 2.97Å; G383-V385 PolarHBondContact O-N 3.16Å; G383-C386 PolarHBondContact O-SG 3.34Å; G383-C386 VanDerWaalsContact O-SG 3.33Å
384	C	96.9	Very high	97.1	Very high	13 Å²	13	19.8 Å²	19.8	9%	0.088	10%	0.103	C	C	.	.	H	α-helix	trans	-65.6	-34.8	-179.7	-72.2	0	0	0	0	113.9	P344 W345 S350 M380 I381 F382	P344-C384 WeakPolarHBondContact CA-O 3.2Å; W345-C384 HydrophobicContact CD2-CB 4.02Å; W345-C384 HydrophobicContact CE3-CB 3.88Å; W345-C384 HydrophobicContact CG-CB 4.44Å; W345-C384 HydrophobicContact CZ3-CB 4.21Å; W345-C384 PolarHBondContact N-O 3.48Å; S350-C384 PolarHBondContact OG-N 3.49Å; S350-C384 PolarHBondContact OG-SG 2.82Å; M380-C384 PolarHBondContact O-N 2.86Å; M380-C384 PolarHBondContact O-SG 3.21Å; I381-C384 WeakPolarHBondContact O-CB 3.25Å; I381-C384 PolarHBondContact O-N 3.24Å; I381-C384 VanDerWaalsContact O-N 3.1Å; F382-C384 VanDerWaalsContact C-N 3.3Å; F382-C384 PolarHBondContact O-N 3.05Å
385	V	97.1	Very high	97.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-110.9	-8.7	-171.1	-51.9	0	0	0	0	114.5	G188 F190 W345 I381 F382 G383 S387 G388 L428 I456	G188-V385 VanDerWaalsContact CA-O 3.28Å; G188-V385 WeakPolarHBondContact CA-O 3.24Å; F190-V385 HydrophobicContact CD2-CG2 4Å; F190-V385 HydrophobicContact CE2-CG2 3.74Å; W345-V385 HydrophobicContact CZ2-CG1 3.95Å; I381-V385 WeakPolarHBondContact O-CG2 3.44Å; I381-V385 PolarHBondContact O-N 2.93Å; F382-V385 PolarHBondContact O-N 2.87Å; G383-V385 PolarHBondContact O-N 3.16Å; V385-S387 PolarHBondContact O-N 3.05Å; V385-S387 VanDerWaalsContact O-N 3.1Å; V385-G388 PolarHBondContact O-N 2.9Å; V385-L428 HydrophobicContact CG1-CD1 4.48Å; V385-I456 HydrophobicContact CB-CG2 4.39Å; V385-I456 HydrophobicContact CG1-CG2 4.21Å
386	C	97	Very high	97.2	Very high	4 Å²	4	16 Å²	16	3%	0.027	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.8	-171.4	60.9	0	0	0	0	114.9	C187 L331 F382 G383 G388	C187-C386 HydrophobicContact CB-CB 4.03Å; L331-C386 HydrophobicContact CD1-CB 4.13Å; L331-C386 HydrophobicContact CD2-CB 4.27Å; F382-C386 HydrophobicContact CD1-CB 4.03Å; F382-C386 HydrophobicContact CE1-CB 3.85Å; F382-C386 HydrophobicContact CZ-CB 4.48Å; F382-C386 WeakPolarHBondContact O-CA 3.41Å; F382-C386 WeakPolarHBondContact O-CB 3.45Å; F382-C386 PolarHBondContact O-N 3.43Å; G383-C386 PolarHBondContact O-SG 3.34Å; G383-C386 VanDerWaalsContact O-SG 3.33Å; C386-G388 VanDerWaalsContact C-N 3.28Å
387	S	95.2	Very high	97.3	Very high	43 Å²	43	12.8 Å²	12.8	30%	0.301	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-6.2	175.8	-68.9	0	0	0	0	113.8	L341 P342 V385	L341-S387 VanDerWaalsContact CB-OG 3.22Å; L341-S387 WeakPolarHBondContact CB-OG 3.39Å; P342-S387 PolarHBondContact O-OG 3.21Å; V385-S387 PolarHBondContact O-N 3.05Å; V385-S387 VanDerWaalsContact O-N 3.1Å
388	G	96.4	Very high	97.4	Very high	5 Å²	5	7.8 Å²	7.8	5%	0.052	5%	0.046	C	C	.	.			trans	-86.7	164.4	179.1	0	0	0	0	0	114	G188 V385 C386 G452	G188-G388 WeakPolarHBondContact CA-O 3.1Å; G188-G388 PolarHBondContact N-O 3.27Å; V385-G388 PolarHBondContact O-N 2.9Å; C386-G388 VanDerWaalsContact C-N 3.28Å; G388-G452 CarbonylContact C-O 3.55Å; G388-G452 WeakPolarHBondContact CA-O 3.33Å
389	Q	96.8	Very high	97.5	Very high	24 Å²	24	7.7 Å²	7.7	11%	0.112	5%	0.045	C	C	.	.			trans	-123	132.6	172.7	-69.4	-168.2	-8.2	0	0	110.3	A104 T107 S108 G452	A104-Q389 PolarHBondContact O-OE1 3.49Å; T107-Q389 HydrophobicContact CG2-CB 3.97Å; S108-Q389 PolarHBondContact OG-OE1 3.39Å; Q389-G452 PolarHBondContact N-O 2.98Å; Q389-G452 CarbonylContact O-C 3.57Å
390	C	97.6	Very high	97.5	Very high	3 Å²	3	7.7 Å²	7.7	2%	0.02	5%	0.045	C	C	.	.			trans	-125.6	102	-178.6	-172.9	0	0	0	0	109	G188 L189 P392 V393 L394 I456	G188-C390 WeakPolarHBondContact O-CB 3.4Å; L189-C390 HydrophobicContact CD2-CB 4.46Å; C390-P392 VanDerWaalsContact C-CD 3.43Å; C390-P392 VanDerWaalsContact C-N 3.28Å; C390-V393 HydrophobicContact CB-CB 4.08Å; C390-V393 HydrophobicContact CB-CG2 3.96Å; C390-V393 PolarHBondContact O-N 2.97Å; C390-L394 WeakPolarHBondContact O-CB 3.33Å; C390-L394 PolarHBondContact O-N 3.46Å; C390-I456 HydrophobicContact CB-CD1 3.73Å
391	S	97.1	Very high	97.7	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.014	4%	0.035	C	C	.	.	H	α-helix	trans	-58.4	-32.5	-176.8	74.6	0	0	0	0	114	L394 S395 N485	S391-L394 PolarHBondContact O-N 2.71Å; S391-S395 PolarHBondContact O-N 2.85Å; S391-S395 PolarHBondContact O-OG 3.16Å; S391-N485 PolarHBondContact OG-OD1 3.35Å
392	P	98.5	Very high	97.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.5	-46.3	172.7	-30	42.4	0	0	0	114.4	C390 L394 S395 F396 M489 G905 C908 L909 F912	C390-P392 VanDerWaalsContact C-CD 3.43Å; C390-P392 VanDerWaalsContact C-N 3.28Å; P392-L394 VanDerWaalsContact C-N 3.26Å; P392-L394 PolarHBondContact O-N 3.39Å; P392-S395 PolarHBondContact O-N 3.15Å; P392-F396 PolarHBondContact O-N 3.38Å; P392-M489 HydrophobicContact CG-CE 4.44Å; P392-M489 HydrophobicContact CG-CG 4.41Å; P392-M489 HydrophobicContact CG-SD 3.95Å; P392-G905 WeakPolarHBondContact CB-O 3.44Å; P392-C908 HydrophobicContact CB-CB 3.83Å; P392-C908 HydrophobicContact CG-CB 3.49Å; P392-C908 VanDerWaalsContact CG-CB 3.49Å; P392-L909 HydrophobicContact CB-CD2 3.69Å; P392-L909 HydrophobicContact CB-CG 3.86Å; P392-F912 HydrophobicContact CB-CE2 4.37Å; P392-F912 HydrophobicContact CG-CE2 3.63Å; P392-F912 HydrophobicContact CG-CZ 3.89Å
393	V	98.6	Very high	97.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.7	-42.1	175.2	173.8	0	0	0	0	110.1	T186 L189 C390 S395 F396 V397 F422 A424 L909	T186-V393 HydrophobicContact CG2-CG1 4.07Å; L189-V393 HydrophobicContact CD2-CG2 4.44Å; C390-V393 HydrophobicContact CB-CB 4.08Å; C390-V393 HydrophobicContact CB-CG2 3.96Å; C390-V393 PolarHBondContact O-N 2.97Å; V393-S395 VanDerWaalsContact C-N 3.34Å; V393-S395 PolarHBondContact O-N 3.03Å; V393-F396 WeakPolarHBondContact O-CB 3.49Å; V393-F396 PolarHBondContact O-N 3.14Å; V393-V397 HydrophobicContact CG1-CG2 3.99Å; V393-V397 WeakPolarHBondContact O-CB 3.39Å; V393-V397 VanDerWaalsContact O-CG2 3.24Å; V393-V397 WeakPolarHBondContact O-CG2 3.31Å; V393-V397 PolarHBondContact O-N 3.14Å; V393-F422 HydrophobicContact CG1-CD1 4.23Å; V393-F422 HydrophobicContact CG1-CE1 4.41Å; V393-F422 HydrophobicContact CG2-CE1 4.24Å; V393-A424 HydrophobicContact CG2-CB 4.42Å; V393-L909 HydrophobicContact CG2-CD2 3.92Å
394	L	98.1	Very high	97.9	Very high	6 Å²	6	4.9 Å²	4.9	3%	0.031	3%	0.031	C	C	.	.	H	α-helix	trans	-64.3	-38.6	178.8	-172.1	153.1	0	0	0	112	G76 L77 E80 C390 S391 P392 G398	G76-L394 VanDerWaalsContact C-CD2 3.42Å; G76-L394 WeakPolarHBondContact O-CD2 3.42Å; L77-L394 HydrophobicContact CB-CD1 3.97Å; L77-L394 HydrophobicContact CB-CG 3.84Å; L77-L394 HydrophobicContact CD1-CG 4.02Å; L77-L394 VanDerWaalsContact N-CD1 3.32Å; E80-L394 HydrophobicContact CB-CD2 3.81Å; E80-L394 HydrophobicContact CG-CD2 4.33Å; C390-L394 WeakPolarHBondContact O-CB 3.33Å; C390-L394 PolarHBondContact O-N 3.46Å; S391-L394 PolarHBondContact O-N 2.71Å; P392-L394 VanDerWaalsContact C-N 3.26Å; P392-L394 PolarHBondContact O-N 3.39Å; L394-G398 WeakPolarHBondContact O-CA 3.31Å; L394-G398 PolarHBondContact O-N 3.47Å
395	S	98.3	Very high	98	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.007	3%	0.027	C	C	.	.	H	α-helix	trans	-63.2	-43.2	173.1	-63.7	0	0	0	0	111.4	S391 P392 V393 S399 K484 N485	S391-S395 PolarHBondContact O-N 2.85Å; S391-S395 PolarHBondContact O-OG 3.16Å; P392-S395 PolarHBondContact O-N 3.15Å; V393-S395 VanDerWaalsContact C-N 3.34Å; V393-S395 PolarHBondContact O-N 3.03Å; S395-S399 WeakPolarHBondContact O-CB 3.46Å; S395-S399 PolarHBondContact O-N 3.27Å; S395-S399 VanDerWaalsContact O-N 3.12Å; S395-S399 PolarHBondContact O-OG 3.49Å; S395-K484 PolarHBondContact OG-NZ 3.48Å; S395-N485 PolarHBondContact OG-ND2 3.44Å; S395-N485 PolarHBondContact OG-OD1 3.16Å
396	F	98.5	Very high	98	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-61.8	-56.9	175.2	173.9	-93.7	0	0	0	111.9	P392 V393 S399 F400 M420 F422 L902 L906 T936 F938	P392-F396 PolarHBondContact O-N 3.38Å; V393-F396 WeakPolarHBondContact O-CB 3.49Å; V393-F396 PolarHBondContact O-N 3.14Å; F396-S399 PolarHBondContact O-N 3.49Å; F396-F400 WeakPolarHBondContact O-CB 3.44Å; F396-F400 PolarHBondContact O-N 2.85Å; F396-M420 HydrophobicContact CE1-CE 3.99Å; F396-M420 HydrophobicContact CE1-SD 4.27Å; F396-F422 HydrophobicContact CD1-CB 4.27Å; F396-F422 AromaticContact CD1-CD1 3.85Å; F396-F422 HydrophobicContact CD1-CD1 3.85Å; F396-F422 HydrophobicContact CD1-CD2 4.11Å; F396-F422 HydrophobicContact CD1-CE1 4.19Å; F396-F422 HydrophobicContact CD1-CE2 4.43Å; F396-F422 AromaticContact CD1-CG 3.8Å; F396-F422 HydrophobicContact CD1-CG 3.8Å; F396-F422 HydrophobicContact CD1-CZ 4.46Å; F396-F422 HydrophobicContact CE1-CB 3.74Å; F396-F422 HydrophobicContact CE1-CD1 4.05Å; F396-F422 AromaticContact CE1-CD2 3.56Å; F396-F422 HydrophobicContact CE1-CD2 3.56Å; F396-F422 HydrophobicContact CE1-CE2 4.16Å; F396-F422 AromaticContact CE1-CG 3.49Å; F396-F422 HydrophobicContact CE1-CG 3.49Å; F396-F422 VanDerWaalsContact CE1-CG 3.49Å; F396-F422 AromaticContact CZ-CD2 3.9Å; F396-F422 HydrophobicContact CZ-CD2 3.9Å; F396-F422 HydrophobicContact CZ-CE2 4.29Å; F396-F422 HydrophobicContact CZ-CG 4.3Å; F396-L902 HydrophobicContact CD2-CD1 4.04Å; F396-L902 HydrophobicContact CD2-CD2 3.59Å; F396-L902 HydrophobicContact CD2-CG 3.54Å; F396-L902 HydrophobicContact CE2-CD1 4.1Å; F396-L902 HydrophobicContact CE2-CD2 3.88Å; F396-L902 HydrophobicContact CE2-CG 4.04Å; F396-L902 HydrophobicContact CG-CG 4.35Å; F396-L906 HydrophobicContact CD2-CD1 4.14Å; F396-L906 HydrophobicContact CD2-CD2 3.56Å; F396-L906 HydrophobicContact CD2-CG 3.86Å; F396-L906 HydrophobicContact CE2-CD1 4.29Å; F396-L906 HydrophobicContact CE2-CD2 4.07Å; F396-L906 HydrophobicContact CE2-CG 4.45Å; F396-L906 HydrophobicContact CG-CD2 4.21Å; F396-T936 HydrophobicContact CE2-CG2 4.33Å; F396-T936 HydrophobicContact CZ-CG2 4.26Å; F396-F938 HydrophobicContact CE2-CZ 4.29Å
397	V	98.6	Very high	98.1	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-67.6	-44	-174.2	177.6	0	0	0	0	111.4	L77 T184 T186 V193 V393 F400 A401	L77-V397 HydrophobicContact CD1-CB 4.21Å; L77-V397 HydrophobicContact CD1-CG1 4.08Å; T184-V397 VanDerWaalsContact OG1-CG1 3.24Å; T184-V397 WeakPolarHBondContact OG1-CG1 3.32Å; T186-V397 HydrophobicContact CG2-CB 3.95Å; T186-V397 HydrophobicContact CG2-CG1 4.04Å; T186-V397 HydrophobicContact CG2-CG2 3.99Å; V193-V397 HydrophobicContact CG2-CG1 3.82Å; V393-V397 HydrophobicContact CG1-CG2 3.99Å; V393-V397 WeakPolarHBondContact O-CB 3.39Å; V393-V397 VanDerWaalsContact O-CG2 3.24Å; V393-V397 WeakPolarHBondContact O-CG2 3.31Å; V393-V397 PolarHBondContact O-N 3.14Å; V397-F400 PolarHBondContact O-N 3.49Å; V397-A401 WeakPolarHBondContact O-CB 3.4Å; V397-A401 PolarHBondContact O-N 3.18Å
398	G	98.4	Very high	98.2	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-66.1	-38.7	-180	0	0	0	0	0	112.4	V81 L394 A401 A402	V81-G398 WeakPolarHBondContact CG2-O 3.25Å; L394-G398 WeakPolarHBondContact O-CA 3.31Å; L394-G398 PolarHBondContact O-N 3.47Å; G398-A401 PolarHBondContact O-N 2.98Å; G398-A402 WeakPolarHBondContact O-CB 3.42Å; G398-A402 PolarHBondContact O-N 3Å
399	S	98.5	Very high	98.3	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-71.1	-37.3	176.4	-60.1	0	0	0	0	112.6	N84 S395 F396 A402 Q403 T898 S901 L902	N84-S399 PolarHBondContact ND2-OG 2.93Å; S395-S399 WeakPolarHBondContact O-CB 3.46Å; S395-S399 PolarHBondContact O-N 3.27Å; S395-S399 VanDerWaalsContact O-N 3.12Å; S395-S399 PolarHBondContact O-OG 3.49Å; F396-S399 PolarHBondContact O-N 3.49Å; S399-A402 PolarHBondContact O-N 3.35Å; S399-Q403 PolarHBondContact O-N 3.32Å; S399-T898 VanDerWaalsContact CB-O 3.24Å; S399-T898 WeakPolarHBondContact CB-O 3.37Å; S399-S901 WeakPolarHBondContact OG-CB 3.48Å; S399-S901 PolarHBondContact OG-OG 2.84Å; S399-S901 VanDerWaalsContact OG-OG 3.14Å; S399-L902 PolarHBondContact OG-N 3.49Å
400	F	98.6	Very high	98.3	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-60.6	-49.9	172.3	-164	-73.1	0	0	0	110.5	V193 M311 F396 V397 A402 Q403 E404 L416 M420 L902 L931	V193-F400 HydrophobicContact CB-CD1 4.39Å; V193-F400 HydrophobicContact CG1-CD1 4.3Å; V193-F400 HydrophobicContact CG2-CD1 4.26Å; M311-F400 HydrophobicContact CE-CE2 4.13Å; M311-F400 HydrophobicContact CE-CZ 4.3Å; M311-F400 HydrophobicContact SD-CE2 4.13Å; M311-F400 HydrophobicContact SD-CZ 3.72Å; F396-F400 WeakPolarHBondContact O-CB 3.44Å; F396-F400 PolarHBondContact O-N 2.85Å; V397-F400 PolarHBondContact O-N 3.49Å; F400-A402 PolarHBondContact O-N 3.07Å; F400-Q403 WeakPolarHBondContact O-CB 3.42Å; F400-Q403 PolarHBondContact O-N 3.15Å; F400-Q403 VanDerWaalsContact O-N 3.14Å; F400-E404 HydrophobicContact CD1-CG 3.99Å; F400-E404 HydrophobicContact CE1-CG 3.88Å; F400-E404 WeakPolarHBondContact O-CG 3.14Å; F400-E404 PolarHBondContact O-N 3.2Å; F400-L416 HydrophobicContact CE1-CB 4.16Å; F400-L416 HydrophobicContact CE1-CD2 3.98Å; F400-L416 HydrophobicContact CE1-CG 4.47Å; F400-M420 HydrophobicContact CB-CE 3.95Å; F400-M420 HydrophobicContact CD1-CE 3.79Å; F400-M420 HydrophobicContact CD2-CE 4.01Å; F400-M420 HydrophobicContact CE1-CE 4.32Å; F400-M420 HydrophobicContact CE2-CE 4.49Å; F400-M420 HydrophobicContact CG-CE 3.63Å; F400-L902 HydrophobicContact CD2-CD1 4.47Å; F400-L931 HydrophobicContact CD2-CD2 3.67Å; F400-L931 HydrophobicContact CE2-CD2 3.95Å; F400-L931 HydrophobicContact CG-CD2 4.42Å
401	A	98.8	Very high	98.2	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-61.4	-40.7	177.3	0	0	0	0	0	112.5	V81 V182 T184 V193 V397 G398 Q403 E404 V405	V81-A401 HydrophobicContact CG2-CB 4.08Å; V182-A401 HydrophobicContact CG1-CB 4.24Å; T184-A401 HydrophobicContact CG2-CB 4.27Å; V193-A401 HydrophobicContact CG1-CB 4.17Å; V193-A401 HydrophobicContact CG2-CB 4.13Å; V397-A401 WeakPolarHBondContact O-CB 3.4Å; V397-A401 PolarHBondContact O-N 3.18Å; G398-A401 PolarHBondContact O-N 2.98Å; A401-Q403 VanDerWaalsContact C-N 3.31Å; A401-Q403 PolarHBondContact O-N 3.38Å; A401-E404 PolarHBondContact O-N 2.82Å; A401-V405 WeakPolarHBondContact O-CG2 3.3Å; A401-V405 PolarHBondContact O-N 2.82Å
402	A	98.7	Very high	98.2	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-62.3	-38.7	174.6	0	0	0	0	0	112.2	V81 N84 I85 G398 S399 F400 V405 M406 T898	V81-A402 HydrophobicContact CG1-CB 4.31Å; N84-A402 HydrophobicContact CB-CB 3.54Å; I85-A402 HydrophobicContact CG1-CB 4.26Å; G398-A402 WeakPolarHBondContact O-CB 3.42Å; G398-A402 PolarHBondContact O-N 3Å; S399-A402 PolarHBondContact O-N 3.35Å; F400-A402 PolarHBondContact O-N 3.07Å; A402-V405 WeakPolarHBondContact O-CB 3.47Å; A402-V405 PolarHBondContact O-N 3.22Å; A402-M406 WeakPolarHBondContact O-CG 3.33Å; A402-M406 PolarHBondContact O-N 3.39Å; A402-M406 VanDerWaalsContact O-N 3.07Å; A402-T898 HydrophobicContact CB-CG2 3.85Å
403	Q	98.7	Very high	98.2	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-60.7	-47.9	172.7	-171	80.2	12.6	0	0	111	Y56 S399 F400 A401 V405 M406 K407 T898 L931	Y56-Q403 PolarHBondContact OH-NE2 3.12Å; S399-Q403 PolarHBondContact O-N 3.32Å; F400-Q403 WeakPolarHBondContact O-CB 3.42Å; F400-Q403 PolarHBondContact O-N 3.15Å; F400-Q403 VanDerWaalsContact O-N 3.14Å; A401-Q403 VanDerWaalsContact C-N 3.31Å; A401-Q403 PolarHBondContact O-N 3.38Å; Q403-V405 PolarHBondContact O-N 2.95Å; Q403-M406 HydrophobicContact CB-CE 4.49Å; Q403-M406 HydrophobicContact CG-CE 4.47Å; Q403-M406 CarbonylContact O-C 3.57Å; Q403-M406 WeakPolarHBondContact O-CA 3.41Å; Q403-M406 WeakPolarHBondContact O-CB 3.45Å; Q403-M406 PolarHBondContact O-N 2.91Å; Q403-K407 WeakPolarHBondContact O-CG 3.48Å; Q403-K407 PolarHBondContact O-N 2.86Å; Q403-T898 HydrophobicContact CB-CG2 4.36Å; Q403-T898 PolarHBondContact OE1-OG1 3.48Å; Q403-L931 HydrophobicContact CB-CD1 4.23Å; Q403-L931 HydrophobicContact CG-CB 3.95Å; Q403-L931 HydrophobicContact CG-CD1 4.33Å
404	E	98.8	Very high	98.2	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-58.5	-36.5	178.2	-65.8	-53.2	129.8	0	0	112.3	C195 F197 F400 A401 K407 A408 P415 L416	C195-E404 VanDerWaalsContact SG-CB 3.57Å; F197-E404 HydrophobicContact CZ-CB 4.36Å; F197-E404 WeakPolarHBondContact CZ-O 3.25Å; F400-E404 HydrophobicContact CD1-CG 3.99Å; F400-E404 HydrophobicContact CE1-CG 3.88Å; F400-E404 WeakPolarHBondContact O-CG 3.14Å; F400-E404 PolarHBondContact O-N 3.2Å; A401-E404 PolarHBondContact O-N 2.82Å; E404-K407 WeakPolarHBondContact O-CB 3.34Å; E404-K407 PolarHBondContact O-N 3.05Å; E404-K407 VanDerWaalsContact OE1-CE 3.31Å; E404-K407 WeakPolarHBondContact OE1-CE 3.47Å; E404-K407 IonicContact OE1-NZ 3.49Å; E404-K407 PolarHBondContact OE1-NZ 3.43Å; E404-K407 IonicContact OE2-NZ 2.67Å; E404-A408 PolarHBondContact O-N 2.93Å; E404-P415 WeakPolarHBondContact OE2-CA 3.44Å; E404-L416 HydrophobicContact CG-CB 4.2Å; E404-L416 PolarHBondContact OE2-N 3.3Å
405	V	98.8	Very high	98.2	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.3	-46	171.6	172.9	0	0	0	0	111.2	I69 I85 V156 V158 V182 A401 A402 Q403 K407 A408 C409	I69-V405 HydrophobicContact CD1-CG1 3.63Å; I69-V405 HydrophobicContact CG2-CG1 4.45Å; I85-V405 HydrophobicContact CD1-CB 3.99Å; I85-V405 HydrophobicContact CD1-CG1 3.68Å; I85-V405 HydrophobicContact CD1-CG2 4.05Å; I85-V405 HydrophobicContact CG1-CB 4.24Å; I85-V405 HydrophobicContact CG1-CG1 3.96Å; V156-V405 HydrophobicContact CG1-CG1 4.08Å; V156-V405 HydrophobicContact CG1-CG2 4.24Å; V158-V405 HydrophobicContact CG2-CG2 3.41Å; V158-V405 VanDerWaalsContact CG2-CG2 3.41Å; V182-V405 HydrophobicContact CB-CG2 4.25Å; V182-V405 HydrophobicContact CG1-CG2 4.44Å; V182-V405 HydrophobicContact CG2-CG2 3.92Å; A401-V405 WeakPolarHBondContact O-CG2 3.3Å; A401-V405 PolarHBondContact O-N 2.82Å; A402-V405 WeakPolarHBondContact O-CB 3.47Å; A402-V405 PolarHBondContact O-N 3.22Å; Q403-V405 PolarHBondContact O-N 2.95Å; V405-K407 VanDerWaalsContact C-N 3.29Å; V405-K407 PolarHBondContact O-N 3.11Å; V405-A408 WeakPolarHBondContact O-CB 3.36Å; V405-A408 PolarHBondContact O-N 2.64Å; V405-A408 VanDerWaalsContact O-N 3.16Å; V405-C409 PolarHBondContact O-N 3.29Å; V405-C409 PolarHBondContact O-SG 3.04Å
406	M	98.3	Very high	98.2	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.005	2%	0.024	C	C	.	.	H	α-helix	trans	-63.5	-34.4	176.7	-64.2	-168.3	-64.7	0	0	112.6	Y56 M64 A88 A402 Q403 C409 S410 I896 T898	Y56-M406 HydrophobicContact CE1-CB 4.3Å; Y56-M406 HydrophobicContact CE2-CB 4.41Å; Y56-M406 HydrophobicContact CE2-CE 3.97Å; Y56-M406 HydrophobicContact CE2-SD 4.06Å; Y56-M406 WeakPolarHBondContact OH-CB 3.29Å; M64-M406 HydrophobicContact SD-CB 3.92Å; M64-M406 HydrophobicContact SD-CG 4.03Å; M64-M406 HydrophobicContact SD-SD 4.28Å; A88-M406 HydrophobicContact CB-CG 4.14Å; A88-M406 HydrophobicContact CB-SD 3.25Å; A88-M406 WeakPolarHBondContact CB-SD 3.45Å; A402-M406 WeakPolarHBondContact O-CG 3.33Å; A402-M406 PolarHBondContact O-N 3.39Å; A402-M406 VanDerWaalsContact O-N 3.07Å; Q403-M406 HydrophobicContact CB-CE 4.49Å; Q403-M406 HydrophobicContact CG-CE 4.47Å; Q403-M406 CarbonylContact O-C 3.57Å; Q403-M406 WeakPolarHBondContact O-CA 3.41Å; Q403-M406 WeakPolarHBondContact O-CB 3.45Å; Q403-M406 PolarHBondContact O-N 2.91Å; M406-C409 PolarHBondContact O-N 3.12Å; M406-S410 WeakPolarHBondContact O-CB 3.07Å; M406-S410 PolarHBondContact O-N 3.46Å; M406-S410 VanDerWaalsContact O-N 3.1Å; M406-S410 PolarHBondContact O-OG 3.08Å; M406-I896 HydrophobicContact CE-CD1 3.41Å; M406-I896 VanDerWaalsContact CE-CD1 3.41Å; M406-I896 HydrophobicContact CE-CG1 4.32Å; M406-I896 HydrophobicContact SD-CD1 3.84Å; M406-T898 HydrophobicContact CE-CG2 3.48Å; M406-T898 VanDerWaalsContact CE-CG2 3.48Å
407	K	98.5	Very high	98.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.6	-47.4	171.2	-59.2	-177.1	-172.4	173.1	0	110.8	Q403 E404 V405 C409 S410 G411 K412 F413 T414 L931	Q403-K407 WeakPolarHBondContact O-CG 3.48Å; Q403-K407 PolarHBondContact O-N 2.86Å; E404-K407 WeakPolarHBondContact O-CB 3.34Å; E404-K407 PolarHBondContact O-N 3.05Å; E404-K407 VanDerWaalsContact OE1-CE 3.31Å; E404-K407 WeakPolarHBondContact OE1-CE 3.47Å; E404-K407 IonicContact OE1-NZ 3.49Å; E404-K407 PolarHBondContact OE1-NZ 3.43Å; E404-K407 IonicContact OE2-NZ 2.67Å; V405-K407 VanDerWaalsContact C-N 3.29Å; V405-K407 PolarHBondContact O-N 3.11Å; K407-C409 PolarHBondContact O-N 3.3Å; K407-S410 PolarHBondContact O-N 2.7Å; K407-G411 PolarHBondContact O-N 2.88Å; K407-K412 WeakPolarHBondContact CG-O 3.42Å; K407-F413 HydrophobicContact CD-CB 4Å; K407-F413 HydrophobicContact CG-CB 4.03Å; K407-T414 PolarHBondContact NZ-O 3.36Å; K407-L931 WeakPolarHBondContact CE-O 3.45Å; K407-L931 PolarHBondContact NZ-O 2.96Å
408	A	98.4	Very high	98	Very high	3 Å²	3	8.5 Å²	8.5	3%	0.025	4%	0.044	C	C	.	.	H	α-helix	trans	-58.8	-33.1	177.6	0	0	0	0	0	113.4	V156 K180 F197 E404 V405	V156-A408 HydrophobicContact CG1-CB 4.45Å; V156-A408 HydrophobicContact CG2-CB 4.02Å; K180-A408 HydrophobicContact CB-CB 4.07Å; K180-A408 HydrophobicContact CG-CB 4.11Å; F197-A408 HydrophobicContact CD1-CB 4Å; F197-A408 HydrophobicContact CD2-CB 4.2Å; F197-A408 HydrophobicContact CE1-CB 3.71Å; F197-A408 HydrophobicContact CE2-CB 3.86Å; F197-A408 HydrophobicContact CG-CB 4.29Å; F197-A408 HydrophobicContact CZ-CB 3.65Å; E404-A408 PolarHBondContact O-N 2.93Å; V405-A408 WeakPolarHBondContact O-CB 3.36Å; V405-A408 PolarHBondContact O-N 2.64Å; V405-A408 VanDerWaalsContact O-N 3.16Å
409	C	97.4	Very high	98	Very high	14 Å²	14	8.5 Å²	8.5	10%	0.095	4%	0.044	C	C	.	.	H	α-helix	trans	-77.2	-38.5	178.8	-60.3	0	0	0	0	112.8	M64 T67 V405 M406 K407	M64-C409 HydrophobicContact CG-CB 3.77Å; T67-C409 HydrophobicContact CG2-CB 4.2Å; V405-C409 PolarHBondContact O-N 3.29Å; V405-C409 PolarHBondContact O-SG 3.04Å; M406-C409 PolarHBondContact O-N 3.12Å; K407-C409 PolarHBondContact O-N 3.3Å
410	S	97.2	Very high	98	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.014	4%	0.044	C	C	.	.	H	α-helix	trans	-101.3	-26.9	-167.5	59.4	0	0	0	0	114.1	Y56 R63 M406 K407 K412	Y56-S410 WeakPolarHBondContact CE1-OG 3.24Å; R63-S410 VanDerWaalsContact CD-O 3.27Å; R63-S410 WeakPolarHBondContact CD-O 3.38Å; R63-S410 PolarHBondContact NH1-O 2.78Å; M406-S410 WeakPolarHBondContact O-CB 3.07Å; M406-S410 PolarHBondContact O-N 3.46Å; M406-S410 VanDerWaalsContact O-N 3.1Å; M406-S410 PolarHBondContact O-OG 3.08Å; K407-S410 PolarHBondContact O-N 2.7Å; S410-K412 PolarHBondContact O-N 3.07Å; S410-K412 WeakPolarHBondContact OG-CB 3.48Å; S410-K412 PolarHBondContact OG-N 2.79Å; S410-K412 VanDerWaalsContact OG-N 3.09Å
411	G	96.6	Very high	98	Very high	4 Å²	4	8.6 Å²	8.6	4%	0.041	5%	0.045	C	C	.	.			trans	66.7	18.4	-163.9	0	0	0	0	0	112.5	V203 Y204 K407	V203-G411 CarbonylContact C-O 3.53Å; V203-G411 VanDerWaalsContact CA-O 3.32Å; V203-G411 WeakPolarHBondContact CA-O 3.16Å; Y204-G411 WeakPolarHBondContact CD2-O 3.31Å; Y204-G411 PolarHBondContact N-O 2.87Å; K407-G411 PolarHBondContact O-N 2.88Å
412	K	96.8	Very high	98	Very high	30 Å²	30	9 Å²	9	13%	0.13	5%	0.047	C	C	.	.	B	Isolated β-bridge	trans	-102.3	143.7	174.5	-173.7	161.7	-172	177.7	0	109.9	V55 Y56 D205 K407 S410	V55-K412 VanDerWaalsContact O-CE 3.27Å; V55-K412 WeakPolarHBondContact O-CE 3.4Å; V55-K412 PolarHBondContact O-NZ 3.06Å; Y56-K412 HydrophobicContact CD1-CB 4.09Å; Y56-K412 HydrophobicContact CD1-CD 4.03Å; Y56-K412 HydrophobicContact CD1-CG 4.35Å; Y56-K412 HydrophobicContact CE1-CB 4.13Å; Y56-K412 WeakPolarHBondContact O-CD 3.29Å; Y56-K412 PolarHBondContact O-NZ 3.41Å; D205-K412 HydrophobicContact CB-CG 4.25Å; K407-K412 WeakPolarHBondContact CG-O 3.42Å; S410-K412 PolarHBondContact O-N 3.07Å; S410-K412 WeakPolarHBondContact OG-CB 3.48Å; S410-K412 PolarHBondContact OG-N 2.79Å; S410-K412 VanDerWaalsContact OG-N 3.09Å
413	F	97.7	Very high	97.9	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.009	5%	0.049	C	C	.	.	S	Bend	trans	70.1	159.3	-172.9	-52	-50.1	0	0	0	114	V55 Y56 V203 D205 K407 P415 T602 A932	V55-F413 HydrophobicContact CG1-CE2 4.1Å; V55-F413 HydrophobicContact CG1-CZ 3.77Å; Y56-F413 HydrophobicContact CD1-CE2 4.22Å; Y56-F413 HydrophobicContact CD2-CE2 4.34Å; Y56-F413 AromaticContact CE1-CD2 3.92Å; Y56-F413 HydrophobicContact CE1-CD2 3.92Å; Y56-F413 AromaticContact CE1-CE2 3.71Å; Y56-F413 HydrophobicContact CE1-CE2 3.71Å; Y56-F413 AromaticContact CE2-CE2 3.84Å; Y56-F413 HydrophobicContact CE2-CE2 3.84Å; Y56-F413 AromaticContact CZ-CD2 3.84Å; Y56-F413 AromaticContact CZ-CE2 3.5Å; Y56-F413 VanDerWaalsContact CZ-CE2 3.5Å; V203-F413 WeakPolarHBondContact CG1-O 3.2Å; D205-F413 WeakPolarHBondContact O-CA 3.35Å; D205-F413 PolarHBondContact O-N 3.04Å; K407-F413 HydrophobicContact CD-CB 4Å; K407-F413 HydrophobicContact CG-CB 4.03Å; F413-P415 VanDerWaalsContact O-CD 3.29Å; F413-P415 WeakPolarHBondContact O-CD 3.5Å; F413-T602 HydrophobicContact CD2-CG2 4.28Å; F413-T602 HydrophobicContact CE1-CG2 4.14Å; F413-T602 HydrophobicContact CE2-CG2 3.7Å; F413-T602 HydrophobicContact CZ-CG2 3.62Å; F413-A932 HydrophobicContact CB-CB 4.33Å; F413-A932 VanDerWaalsContact CB-O 3.31Å; F413-A932 WeakPolarHBondContact CB-O 3.19Å; F413-A932 HydrophobicContact CD1-CB 3.28Å; F413-A932 HydrophobicContact CE1-CB 3.64Å; F413-A932 HydrophobicContact CG-CB 3.89Å; F413-A932 HydrophobicContact CZ-CB 4.5Å
414	T	97.9	Very high	97.9	Very high	28 Å²	28	9.7 Å²	9.7	17%	0.172	5%	0.051	C	C	.	.	P	Polyproline II helix	trans	-78.8	118.2	177.5	-58.3	0	0	0	0	109.4	P206 I296 K407 A932	P206-T414 WeakPolarHBondContact CA-OG1 3.3Å; P206-T414 WeakPolarHBondContact CB-OG1 3.18Å; P206-T414 PolarHBondContact O-N 3.14Å; P206-T414 PolarHBondContact O-OG1 3.03Å; I296-T414 HydrophobicContact CD1-CG2 4.48Å; K407-T414 PolarHBondContact NZ-O 3.36Å; T414-A932 PolarHBondContact N-O 3.49Å
415	P	98.3	Very high	97.7	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.013	6%	0.056	C	C	.	.	P	Polyproline II helix	trans	-64.7	158.4	175.6	-23.4	35.8	0	0	0	113.6	F197 F201 V203 I296 F298 E404 F413 Q417	F197-P415 HydrophobicContact CD2-CB 3.99Å; F197-P415 HydrophobicContact CD2-CG 3.94Å; F197-P415 HydrophobicContact CE2-CB 3.58Å; F197-P415 HydrophobicContact CE2-CG 3.8Å; F201-P415 HydrophobicContact CD1-CG 4.12Å; F201-P415 HydrophobicContact CE1-CG 3.72Å; V203-P415 HydrophobicContact CG2-CG 4.23Å; I296-P415 HydrophobicContact CD1-CG 4.46Å; F298-P415 HydrophobicContact CE1-CB 4.35Å; F298-P415 HydrophobicContact CZ-CB 3.79Å; F298-P415 HydrophobicContact CZ-CG 4.17Å; E404-P415 WeakPolarHBondContact OE2-CA 3.44Å; F413-P415 VanDerWaalsContact O-CD 3.29Å; F413-P415 WeakPolarHBondContact O-CD 3.5Å; P415-Q417 PolarHBondContact O-N 3.33Å
416	L	98.4	Very high	97.6	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-63.1	123.3	163.7	173	66.1	0	0	0	110.6	V193 F298 M311 F400 E404 M420 P934	V193-L416 HydrophobicContact CB-CD2 4.09Å; V193-L416 HydrophobicContact CG1-CD2 3.93Å; F298-L416 WeakPolarHBondContact CE1-O 3.31Å; M311-L416 HydrophobicContact CB-CD1 3.58Å; M311-L416 HydrophobicContact CG-CD1 4.33Å; M311-L416 HydrophobicContact SD-CD1 3.91Å; F400-L416 HydrophobicContact CE1-CB 4.16Å; F400-L416 HydrophobicContact CE1-CD2 3.98Å; F400-L416 HydrophobicContact CE1-CG 4.47Å; E404-L416 HydrophobicContact CG-CB 4.2Å; E404-L416 PolarHBondContact OE2-N 3.3Å; L416-M420 HydrophobicContact CD1-CB 3.93Å; L416-M420 HydrophobicContact CD2-CB 3.65Å; L416-M420 HydrophobicContact CG-CB 4.46Å; L416-P934 HydrophobicContact CD1-CB 4.34Å
417	Q	96.7	Very high	97.5	Very high	89 Å²	89	11.7 Å²	11.7	42%	0.416	6%	0.062	S	C	.	.			trans	-124.6	94.6	176.8	-168.5	-175.7	2.3	0	0	110.6	I296 N297 F298 V309 P415	I296-Q417 HydrophobicContact CG2-CG 4.41Å; N297-Q417 PolarHBondContact O-NE2 3.43Å; F298-Q417 HydrophobicContact CE1-CB 4.49Å; V309-Q417 WeakPolarHBondContact CG1-O 3.42Å; P415-Q417 PolarHBondContact O-N 3.33Å
418	Q	97	Very high	97.3	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.009	6%	0.064	C	C	.	.	S	Bend	cis	-126.5	-19.8	-5.7	-62.6	-171.4	-84.7	0	0	113.4	F194 C195 F298 L299 A304 V309	F194-Q418 VanDerWaalsContact CA-O 3.28Å; F194-Q418 WeakPolarHBondContact CA-O 3.47Å; F194-Q418 HydrophobicContact CD2-CB 4Å; F194-Q418 HydrophobicContact CE2-CB 3.79Å; C195-Q418 PolarHBondContact N-O 3.13Å; C195-Q418 VanDerWaalsContact N-O 3.15Å; C195-Q418 PolarHBondContact O-NE2 3.07Å; F298-Q418 HydrophobicContact CD1-CG 4.01Å; L299-Q418 VanDerWaalsContact N-NE2 3.15Å; L299-Q418 PolarHBondContact O-NE2 3.14Å; A304-Q418 VanDerWaalsContact CB-OE1 3.32Å; V309-Q418 PolarHBondContact O-N 2.67Å
419	W	98.5	Very high	96.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.1	-175.1	-67.7	97.7	0	0	0	111.4	K192 F194 Y301 A304 Y305 V309 F310 M311 Y421	K192-W419 HydrophobicContact CD-CZ3 4.28Å; F194-W419 HydrophobicContact CB-CD2 4.12Å; F194-W419 HydrophobicContact CB-CE3 3.67Å; F194-W419 HydrophobicContact CB-CH2 3.95Å; F194-W419 HydrophobicContact CB-CZ2 4.37Å; F194-W419 HydrophobicContact CB-CZ3 3.58Å; F194-W419 AromaticContact CD2-CD2 3.66Å; F194-W419 HydrophobicContact CD2-CD2 3.66Å; F194-W419 AromaticContact CD2-CE2 3.35Å; F194-W419 HydrophobicContact CD2-CE3 4.09Å; F194-W419 HydrophobicContact CD2-CG 4.2Å; F194-W419 AromaticContact CD2-CH2 3.97Å; F194-W419 HydrophobicContact CD2-CH2 3.97Å; F194-W419 AromaticContact CD2-CZ2 3.52Å; F194-W419 HydrophobicContact CD2-CZ2 3.52Å; F194-W419 HydrophobicContact CD2-CZ3 4.23Å; F194-W419 AromaticContact CD2-NE1 3.74Å; F194-W419 AromaticContact CE2-CE2 3.92Å; F194-W419 HydrophobicContact CE2-CZ2 4.02Å; F194-W419 AromaticContact CE2-NE1 3.97Å; F194-W419 HydrophobicContact CG-CD2 4.32Å; F194-W419 HydrophobicContact CG-CE3 4.29Å; F194-W419 HydrophobicContact CG-CH2 4.03Å; F194-W419 HydrophobicContact CG-CZ2 4.05Å; F194-W419 HydrophobicContact CG-CZ3 4.15Å; Y301-W419 HydrophobicContact CD2-CH2 4.29Å; Y301-W419 AromaticContact CE2-CH2 3.49Å; Y301-W419 HydrophobicContact CE2-CH2 3.49Å; Y301-W419 VanDerWaalsContact CE2-CH2 3.49Å; Y301-W419 HydrophobicContact CE2-CZ2 4.12Å; Y301-W419 HydrophobicContact CE2-CZ3 4.37Å; Y301-W419 AromaticContact CZ-CH2 3.65Å; A304-W419 PolarHBondContact O-NE1 2.89Å; A304-W419 VanDerWaalsContact O-NE1 3.13Å; Y305-W419 HydrophobicContact CD2-CH2 4.19Å; Y305-W419 HydrophobicContact CD2-CZ2 4.09Å; V309-W419 PolarHBondContact O-N 2.89Å; F310-W419 WeakPolarHBondContact CA-O 3.36Å; F310-W419 HydrophobicContact CD1-CB 3.86Å; F310-W419 HydrophobicContact CE1-CB 4.32Å; M311-W419 PolarHBondContact N-O 2.85Å; W419-Y421 HydrophobicContact CB-CD2 4.33Å; W419-Y421 HydrophobicContact CB-CE2 3.87Å; W419-Y421 HydrophobicContact CD2-CE2 4.25Å; W419-Y421 AromaticContact CE3-CE2 3.94Å; W419-Y421 HydrophobicContact CE3-CE2 3.94Å; W419-Y421 AromaticContact CE3-CZ 3.79Å; W419-Y421 VanDerWaalsContact CE3-OH 3.26Å; W419-Y421 HydrophobicContact CG-CE2 4.26Å; W419-Y421 WeakPolarHBondContact CZ3-OH 3.35Å
420	M	98.3	Very high	95.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.4	166	178.9	-83.9	-83	0	0	107.9	K192 V193 M311 T313 F396 F400 L416 F422	K192-M420 CarbonylContact C-O 3.55Å; K192-M420 WeakPolarHBondContact CA-O 3.4Å; V193-M420 HydrophobicContact CB-CB 4.36Å; V193-M420 HydrophobicContact CB-CE 4.02Å; V193-M420 HydrophobicContact CG2-CE 3.49Å; V193-M420 VanDerWaalsContact CG2-CE 3.49Å; V193-M420 PolarHBondContact N-O 3.17Å; V193-M420 PolarHBondContact O-N 3.41Å; M311-M420 HydrophobicContact SD-CB 4.3Å; M311-M420 HydrophobicContact SD-CG 4.03Å; T313-M420 HydrophobicContact CG2-CG 3.45Å; T313-M420 VanDerWaalsContact CG2-CG 3.45Å; T313-M420 HydrophobicContact CG2-SD 3.92Å; F396-M420 HydrophobicContact CE1-CE 3.99Å; F396-M420 HydrophobicContact CE1-SD 4.27Å; F400-M420 HydrophobicContact CB-CE 3.95Å; F400-M420 HydrophobicContact CD1-CE 3.79Å; F400-M420 HydrophobicContact CD2-CE 4.01Å; F400-M420 HydrophobicContact CE1-CE 4.32Å; F400-M420 HydrophobicContact CE2-CE 4.49Å; F400-M420 HydrophobicContact CG-CE 3.63Å; L416-M420 HydrophobicContact CD1-CB 3.93Å; L416-M420 HydrophobicContact CD2-CB 3.65Å; L416-M420 HydrophobicContact CG-CB 4.46Å; M420-F422 HydrophobicContact SD-CB 3.97Å
421	Y	98.3	Very high	94.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.7	172.2	-73.5	-79.6	0	0	0	108.8	G191 K192 F310 T313 P321 I324 H325 F328 W419	G191-Y421 WeakPolarHBondContact O-CA 3.39Å; K192-Y421 HydrophobicContact CB-CD1 3.65Å; K192-Y421 HydrophobicContact CB-CE1 3.48Å; K192-Y421 VanDerWaalsContact CB-CE1 3.48Å; K192-Y421 HydrophobicContact CD-CE1 4.06Å; K192-Y421 HydrophobicContact CG-CE1 4.37Å; F310-Y421 AromaticContact CD1-CD2 3.94Å; F310-Y421 HydrophobicContact CD1-CD2 3.94Å; F310-Y421 AromaticContact CD1-CE2 3.97Å; F310-Y421 HydrophobicContact CD1-CE2 3.97Å; F310-Y421 HydrophobicContact CE1-CD2 4.03Å; F310-Y421 AromaticContact CE1-CE2 3.7Å; F310-Y421 HydrophobicContact CE1-CE2 3.7Å; T313-Y421 WeakPolarHBondContact CG2-O 3.41Å; T313-Y421 PolarHBondContact OG1-O 2.52Å; T313-Y421 VanDerWaalsContact OG1-O 3.06Å; P321-Y421 HydrophobicContact CB-CD2 4.27Å; I324-Y421 HydrophobicContact CB-CD1 4Å; I324-Y421 HydrophobicContact CB-CG 4.28Å; I324-Y421 HydrophobicContact CG2-CD1 3.46Å; I324-Y421 VanDerWaalsContact CG2-CD1 3.46Å; I324-Y421 HydrophobicContact CG2-CE1 4.1Å; I324-Y421 HydrophobicContact CG2-CG 4.18Å; H325-Y421 HydrophobicContact CB-CD2 4.49Å; H325-Y421 HydrophobicContact CB-CE1 4.5Å; H325-Y421 HydrophobicContact CB-CE2 3.76Å; H325-Y421 AromaticContact ND1-CE2 3.68Å; H325-Y421 AromaticContact ND1-CZ 3.55Å; H325-Y421 PolarHBondContact ND1-OH 2.87Å; F328-Y421 HydrophobicContact CD2-CD1 4.2Å; F328-Y421 AromaticContact CD2-CE1 3.7Å; F328-Y421 HydrophobicContact CD2-CE1 3.7Å; F328-Y421 HydrophobicContact CE2-CD1 4.13Å; F328-Y421 HydrophobicContact CE2-CE1 4.04Å; W419-Y421 HydrophobicContact CB-CD2 4.33Å; W419-Y421 HydrophobicContact CB-CE2 3.87Å; W419-Y421 HydrophobicContact CD2-CE2 4.25Å; W419-Y421 AromaticContact CE3-CE2 3.94Å; W419-Y421 HydrophobicContact CE3-CE2 3.94Å; W419-Y421 AromaticContact CE3-CZ 3.79Å; W419-Y421 VanDerWaalsContact CE3-OH 3.26Å; W419-Y421 HydrophobicContact CG-CE2 4.26Å; W419-Y421 WeakPolarHBondContact CZ3-OH 3.35Å
422	F	98	Very high	93.1	Very high	10 Å²	10	23.3 Å²	23.3	4%	0.044	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.8	-178.8	175.1	-100.3	0	0	0	110.2	F190 G191 V393 F396 M420 A424 L906 L909 F938	F190-F422 CarbonylContact C-O 3.5Å; F190-F422 VanDerWaalsContact CA-O 3.31Å; F190-F422 WeakPolarHBondContact CA-O 3.34Å; G191-F422 PolarHBondContact N-O 2.91Å; G191-F422 PolarHBondContact O-N 2.68Å; V393-F422 HydrophobicContact CG1-CD1 4.23Å; V393-F422 HydrophobicContact CG1-CE1 4.41Å; V393-F422 HydrophobicContact CG2-CE1 4.24Å; F396-F422 HydrophobicContact CD1-CB 4.27Å; F396-F422 AromaticContact CD1-CD1 3.85Å; F396-F422 HydrophobicContact CD1-CD1 3.85Å; F396-F422 HydrophobicContact CD1-CD2 4.11Å; F396-F422 HydrophobicContact CD1-CE1 4.19Å; F396-F422 HydrophobicContact CD1-CE2 4.43Å; F396-F422 AromaticContact CD1-CG 3.8Å; F396-F422 HydrophobicContact CD1-CG 3.8Å; F396-F422 HydrophobicContact CD1-CZ 4.46Å; F396-F422 HydrophobicContact CE1-CB 3.74Å; F396-F422 HydrophobicContact CE1-CD1 4.05Å; F396-F422 AromaticContact CE1-CD2 3.56Å; F396-F422 HydrophobicContact CE1-CD2 3.56Å; F396-F422 HydrophobicContact CE1-CE2 4.16Å; F396-F422 AromaticContact CE1-CG 3.49Å; F396-F422 HydrophobicContact CE1-CG 3.49Å; F396-F422 VanDerWaalsContact CE1-CG 3.49Å; F396-F422 AromaticContact CZ-CD2 3.9Å; F396-F422 HydrophobicContact CZ-CD2 3.9Å; F396-F422 HydrophobicContact CZ-CE2 4.29Å; F396-F422 HydrophobicContact CZ-CG 4.3Å; M420-F422 HydrophobicContact SD-CB 3.97Å; F422-A424 HydrophobicContact CE1-CB 3.95Å; F422-A424 HydrophobicContact CZ-CB 4.05Å; F422-L906 HydrophobicContact CZ-CD2 4.29Å; F422-L909 HydrophobicContact CE1-CD1 4.05Å; F422-L909 HydrophobicContact CZ-CD1 3.75Å; F422-F938 HydrophobicContact CD2-CE2 4.5Å; F422-F938 HydrophobicContact CD2-CZ 4.39Å; F422-F938 HydrophobicContact CE2-CE1 4.34Å; F422-F938 HydrophobicContact CE2-CE2 4.14Å; F422-F938 AromaticContact CE2-CZ 3.71Å; F422-F938 HydrophobicContact CE2-CZ 3.71Å
423	D	97.9	Very high	91.7	Very high	8 Å²	8	28 Å²	28	4%	0.043	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.8	168.2	87.1	78.8	0	0	0	111.3	L189 F190 K317 R320 I324 T425	L189-D423 VanDerWaalsContact O-CA 3.32Å; L189-D423 WeakPolarHBondContact O-CA 3.47Å; F190-D423 HydrophobicContact CD1-CB 3.46Å; F190-D423 VanDerWaalsContact CD1-CB 3.46Å; F190-D423 HydrophobicContact CE1-CB 3.57Å; F190-D423 HydrophobicContact CG-CB 4.33Å; F190-D423 HydrophobicContact CZ-CB 4.49Å; K317-D423 PolarHBondContact NZ-O 3.23Å; K317-D423 VanDerWaalsContact NZ-O 3.11Å; K317-D423 IonicContact NZ-OD1 3.74Å; K317-D423 PolarHBondContact NZ-OD1 3.38Å; K317-D423 IonicContact NZ-OD2 3.46Å; R320-D423 WeakPolarHBondContact CD-OD2 3.45Å; R320-D423 IonicContact CZ-OD2 3.06Å; R320-D423 IonicContact NE-OD2 3.02Å; R320-D423 VanDerWaalsContact NH1-CG 3.27Å; R320-D423 IonicContact NH1-OD1 3.67Å; R320-D423 PolarHBondContact NH1-OD1 3.43Å; R320-D423 IonicContact NH1-OD2 2.66Å; R320-D423 PolarHBondContact NH1-OD2 3.47Å; I324-D423 HydrophobicContact CD1-CB 4.15Å; D423-T425 HydrophobicContact CB-CG2 4.3Å; D423-T425 WeakPolarHBondContact OD1-CB 3.47Å; D423-T425 WeakPolarHBondContact OD1-CG2 3.48Å; D423-T425 PolarHBondContact OD1-N 3.34Å; D423-T425 VanDerWaalsContact OD1-N 3.08Å; D423-T425 PolarHBondContact OD1-OG1 3.41Å
424	A	97.6	Very high	90.3	Very high	6 Å²	6	33.9 Å²	33.9	5%	0.05	19%	0.188	C	C	.	.			trans	-117.6	41.7	173.7	0	0	0	0	0	111.7	L189 V393 F422 E426 C427 L909	L189-A424 PolarHBondContact O-N 2.81Å; V393-A424 HydrophobicContact CG2-CB 4.42Å; F422-A424 HydrophobicContact CE1-CB 3.95Å; F422-A424 HydrophobicContact CZ-CB 4.05Å; A424-E426 PolarHBondContact O-N 2.89Å; A424-E426 VanDerWaalsContact O-N 3.11Å; A424-C427 VanDerWaalsContact O-CB 3.29Å; A424-C427 WeakPolarHBondContact O-CB 3.47Å; A424-C427 PolarHBondContact O-N 3.04Å; A424-C427 PolarHBondContact O-SG 2.87Å; A424-L909 HydrophobicContact CB-CD1 3.88Å; A424-L909 HydrophobicContact CB-CD2 3.93Å; A424-L909 HydrophobicContact CB-CG 4.46Å
425	T	96	Very high	89.1	Confident	16 Å²	16	37.5 Å²	37.5	10%	0.098	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-61	-19.3	-175.5	48.9	0	0	0	0	114.2	F190 R320 L378 I381 D423 C427 L428	F190-T425 HydrophobicContact CE1-CG2 3.98Å; F190-T425 HydrophobicContact CE2-CG2 4.11Å; F190-T425 HydrophobicContact CZ-CG2 3.46Å; F190-T425 VanDerWaalsContact CZ-CG2 3.46Å; R320-T425 PolarHBondContact NH1-OG1 3.11Å; L378-T425 HydrophobicContact CD1-CG2 4.1Å; I381-T425 HydrophobicContact CG2-CG2 3.96Å; D423-T425 HydrophobicContact CB-CG2 4.3Å; D423-T425 WeakPolarHBondContact OD1-CB 3.47Å; D423-T425 WeakPolarHBondContact OD1-CG2 3.48Å; D423-T425 PolarHBondContact OD1-N 3.34Å; D423-T425 VanDerWaalsContact OD1-N 3.08Å; D423-T425 PolarHBondContact OD1-OG1 3.41Å; T425-C427 PolarHBondContact O-N 2.92Å; T425-C427 VanDerWaalsContact O-N 3.14Å; T425-L428 PolarHBondContact O-N 2.85Å; T425-L428 VanDerWaalsContact O-N 3.14Å
426	E	95	Very high	88	Confident	26 Å²	26	40 Å²	40	12%	0.121	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61.6	-15.7	170.9	-63.8	76.2	-168.9	0	0	113	K317 A424 L428 H918 L923	K317-E426 WeakPolarHBondContact CE-OE1 3.47Å; K317-E426 IonicContact NZ-OE1 3.9Å; K317-E426 PolarHBondContact NZ-OE1 3.41Å; K317-E426 IonicContact NZ-OE2 2.7Å; K317-E426 PolarHBondContact NZ-OE2 3.4Å; A424-E426 PolarHBondContact O-N 2.89Å; A424-E426 VanDerWaalsContact O-N 3.11Å; E426-L428 PolarHBondContact O-N 2.8Å; E426-H918 PolarHBondContact O-NE2 2.58Å; E426-L923 HydrophobicContact CB-CD2 4.41Å; E426-L923 WeakPolarHBondContact CB-O 3.42Å; E426-L923 HydrophobicContact CG-CD2 4.37Å
427	C	96.6	Very high	87.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-76.3	4.1	174.5	-57.8	0	0	0	0	113	L189 A424 T425 F457 F912 Q916	L189-C427 HydrophobicContact CD1-CB 4.33Å; L189-C427 HydrophobicContact CD2-CB 4.32Å; A424-C427 VanDerWaalsContact O-CB 3.29Å; A424-C427 WeakPolarHBondContact O-CB 3.47Å; A424-C427 PolarHBondContact O-N 3.04Å; A424-C427 PolarHBondContact O-SG 2.87Å; T425-C427 PolarHBondContact O-N 2.92Å; T425-C427 VanDerWaalsContact O-N 3.14Å; C427-F457 HydrophobicContact CB-CE1 3.98Å; C427-F457 HydrophobicContact CB-CZ 4.28Å; C427-F457 VanDerWaalsContact O-CE1 3.22Å; C427-F457 WeakPolarHBondContact O-CE1 3.39Å; C427-F912 HydrophobicContact CB-CB 4.35Å; C427-Q916 PolarHBondContact O-NE2 2.9Å
428	L	95	Very high	86.9	Confident	9 Å²	9	41.1 Å²	41.1	5%	0.047	23%	0.23	C	C	.	.	S	Bend	trans	-102.1	138.5	179.8	-63.7	175.5	0	0	0	112.2	L189 W345 I381 V385 T425 E426 F436 I456 F457 H918	L189-L428 HydrophobicContact CD1-CD1 4.01Å; L189-L428 HydrophobicContact CD1-CD2 3.64Å; L189-L428 HydrophobicContact CD1-CG 3.55Å; W345-L428 HydrophobicContact CH2-CD1 4.31Å; W345-L428 HydrophobicContact CH2-CD2 4.31Å; W345-L428 HydrophobicContact CZ2-CD2 4.07Å; I381-L428 HydrophobicContact CG2-CD1 3.67Å; V385-L428 HydrophobicContact CG1-CD1 4.48Å; T425-L428 PolarHBondContact O-N 2.85Å; T425-L428 VanDerWaalsContact O-N 3.14Å; E426-L428 PolarHBondContact O-N 2.8Å; L428-F436 HydrophobicContact CB-CD1 4Å; L428-F436 HydrophobicContact CB-CE1 3.8Å; L428-F436 HydrophobicContact CD1-CD1 4.36Å; L428-F436 HydrophobicContact CD1-CE1 3.94Å; L428-F436 HydrophobicContact CD1-CZ 4.49Å; L428-I456 HydrophobicContact CD2-CG2 4.09Å; L428-F457 HydrophobicContact CD2-CD1 4.27Å; L428-F457 HydrophobicContact CD2-CE1 4.28Å; L428-H918 PolarHBondContact O-CE1 2.69Å
429	S	84.3	Confident	86.6	Confident	23 Å²	23	43.9 Å²	43.9	16%	0.161	25%	0.25	C	C	.	.			trans	-81.9	136.9	174.3	-74.2	0	0	0	0	112.3	V437 Q916	S429-V437 PolarHBondContact O-N 2.62Å; S429-Q916 VanDerWaalsContact N-NE2 3.11Å; S429-Q916 WeakPolarHBondContact OG-CB 3.26Å; S429-Q916 WeakPolarHBondContact OG-CG 3.41Å; S429-Q916 PolarHBondContact OG-NE2 3.26Å; S429-Q916 PolarHBondContact OG-OE1 3.44Å
430	M	77.1	Confident	86.4	Confident	77 Å²	77	47.8 Å²	47.8	38%	0.379	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-114.3	143.9	170.6	-63.6	174.4	55.9	0	0	110	E434 D435 F436	M430-E434 VanDerWaalsContact CE-CA 3.45Å; M430-E434 HydrophobicContact CE-CB 3.44Å; M430-E434 VanDerWaalsContact CE-CB 3.44Å; M430-E434 HydrophobicContact CE-CG 3.89Å; M430-E434 WeakPolarHBondContact CE-O 3.29Å; M430-D435 CarbonylContact C-O 3.22Å; M430-D435 VanDerWaalsContact CA-O 3.28Å; M430-D435 WeakPolarHBondContact CA-O 3.48Å; M430-F436 HydrophobicContact CG-CD1 3.91Å; M430-F436 HydrophobicContact CG-CE1 3.77Å; M430-F436 HydrophobicContact CG-CZ 4.48Å; M430-F436 HydrophobicContact SD-CE1 4.3Å
431	S	72.5	Confident	86.2	Confident	45 Å²	45	52.3 Å²	52.3	32%	0.315	29%	0.292	S	S	.	.			trans	-71.8	174.4	170.5	63.4	0	0	0	0	111	D433 E434 D435	S431-D433 PolarHBondContact O-N 3.4Å; S431-E434 PolarHBondContact O-N 3.16Å; S431-E434 VanDerWaalsContact O-N 3.08Å; S431-D435 PolarHBondContact N-O 3.29Å; S431-D435 PolarHBondContact OG-N 3.24Å; S431-D435 PolarHBondContact OG-O 2.95Å; S431-D435 VanDerWaalsContact OG-O 3.06Å
432	S	66.8	Low	86	Confident	114 Å²	114	54 Å²	54	80%	0.797	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.5	173.4	50.1	0	0	0	0	113	E434	S432-E434 PolarHBondContact O-N 3.07Å
433	D	67.8	Low	85.9	Confident	129 Å²	129	53.5 Å²	53.5	69%	0.69	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	14.2	-178.6	-53.4	-30.1	0	0	0	113.4	S431 D435	S431-D433 PolarHBondContact O-N 3.4Å; D433-D435 PolarHBondContact O-N 2.83Å
434	E	69.2	Low	85.7	Confident	125 Å²	125	57.8 Å²	57.8	58%	0.584	32%	0.317	S	S	*	.	S	Bend	trans	61.2	19.3	-176.5	-60.4	-164.8	-179.9	0	0	115.8	M430 S431 S432	M430-E434 VanDerWaalsContact CE-CA 3.45Å; M430-E434 HydrophobicContact CE-CB 3.44Å; M430-E434 VanDerWaalsContact CE-CB 3.44Å; M430-E434 HydrophobicContact CE-CG 3.89Å; M430-E434 WeakPolarHBondContact CE-O 3.29Å; S431-E434 PolarHBondContact O-N 3.16Å; S431-E434 VanDerWaalsContact O-N 3.08Å; S432-E434 PolarHBondContact O-N 3.07Å
435	D	71.3	Confident	85.6	Confident	104 Å²	104	61.9 Å²	61.9	56%	0.556	34%	0.343	S	S	*	.			trans	-89.6	148.5	170	-83.4	-33	0	0	0	110.8	M430 S431 D433	M430-D435 CarbonylContact C-O 3.22Å; M430-D435 VanDerWaalsContact CA-O 3.28Å; M430-D435 WeakPolarHBondContact CA-O 3.48Å; S431-D435 PolarHBondContact N-O 3.29Å; S431-D435 PolarHBondContact OG-N 3.24Å; S431-D435 PolarHBondContact OG-O 2.95Å; S431-D435 VanDerWaalsContact OG-O 3.06Å; D433-D435 PolarHBondContact O-N 2.83Å
436	F	76.6	Confident	85.6	Confident	55 Å²	55	65.8 Å²	65.8	24%	0.241	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-70.1	138.5	175.1	-67.7	-73.3	0	0	0	111.5	W345 I381 L428 M430 V438	W345-F436 HydrophobicContact CE3-CB 4.3Å; W345-F436 HydrophobicContact CH2-CB 3.69Å; W345-F436 HydrophobicContact CH2-CD1 4.05Å; W345-F436 HydrophobicContact CH2-CD2 4.37Å; W345-F436 AromaticContact CH2-CG 3.77Å; W345-F436 HydrophobicContact CH2-CG 3.77Å; W345-F436 HydrophobicContact CZ3-CB 3.3Å; W345-F436 HydrophobicContact CZ3-CD1 4.33Å; W345-F436 AromaticContact CZ3-CD2 3.9Å; W345-F436 HydrophobicContact CZ3-CD2 3.9Å; W345-F436 AromaticContact CZ3-CG 3.58Å; W345-F436 HydrophobicContact CZ3-CG 3.58Å; I381-F436 HydrophobicContact CD1-CE2 3.9Å; I381-F436 HydrophobicContact CD1-CZ 3.47Å; I381-F436 VanDerWaalsContact CD1-CZ 3.47Å; I381-F436 HydrophobicContact CG1-CE2 3.53Å; I381-F436 HydrophobicContact CG1-CZ 3.54Å; L428-F436 HydrophobicContact CB-CD1 4Å; L428-F436 HydrophobicContact CB-CE1 3.8Å; L428-F436 HydrophobicContact CD1-CD1 4.36Å; L428-F436 HydrophobicContact CD1-CE1 3.94Å; L428-F436 HydrophobicContact CD1-CZ 4.49Å; M430-F436 HydrophobicContact CG-CD1 3.91Å; M430-F436 HydrophobicContact CG-CE1 3.77Å; M430-F436 HydrophobicContact CG-CZ 4.48Å; M430-F436 HydrophobicContact SD-CE1 4.3Å; F436-V438 VanDerWaalsContact C-N 3.31Å; F436-V438 PolarHBondContact O-N 2.94Å
437	V	79.9	Confident	85.5	Confident	94 Å²	94	66.9 Å²	66.9	57%	0.57	38%	0.381	S	S	*	.	S	Bend	trans	-71.8	-26.6	-175.3	-179.4	0	0	0	0	112.4	S429	S429-V437 PolarHBondContact O-N 2.62Å
438	V	90.4	Very high	85.4	Confident	18 Å²	18	68.1 Å²	68.1	11%	0.109	39%	0.389	C	S	.	.			trans	-76.1	128.1	-175	-172.9	0	0	0	0	110.5	W345 F436 A443 F457	W345-V438 HydrophobicContact CD2-CB 3.87Å; W345-V438 HydrophobicContact CD2-CG1 3.99Å; W345-V438 HydrophobicContact CE3-CB 4.35Å; W345-V438 HydrophobicContact CG-CB 4.36Å; W345-V438 HydrophobicContact CG-CG1 3.96Å; W345-V438 HydrophobicContact CH2-CB 4.28Å; W345-V438 HydrophobicContact CZ2-CB 3.79Å; W345-V438 HydrophobicContact CZ2-CG1 4.31Å; W345-V438 HydrophobicContact CZ2-CG2 3.99Å; F436-V438 VanDerWaalsContact C-N 3.31Å; F436-V438 PolarHBondContact O-N 2.94Å; V438-A443 HydrophobicContact CG1-CB 4.12Å; V438-F457 WeakPolarHBondContact CG2-O 3.43Å
439	S	91	Very high	85.5	Confident	61 Å²	61	69 Å²	69	43%	0.427	39%	0.392	S	S	.	.			trans	-98.6	155.1	174.7	72.6	0	0	0	0	111.7	N441 D442 A443	S439-N441 PolarHBondContact O-N 3.22Å; S439-N441 VanDerWaalsContact O-N 3.16Å; S439-D442 PolarHBondContact O-N 3.07Å; S439-D442 PolarHBondContact OG-N 3.22Å; S439-A443 PolarHBondContact O-N 3.37Å
440	E	93.9	Very high	86.1	Confident	82 Å²	82	68.1 Å²	68.1	38%	0.383	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-40.1	173.3	-174.5	-178	150.8	0	0	112	D442 A443 K444	E440-D442 VanDerWaalsContact C-N 3.35Å; E440-D442 PolarHBondContact O-N 2.96Å; E440-A443 PolarHBondContact O-N 3.19Å; E440-K444 WeakPolarHBondContact O-CG 3.44Å; E440-K444 PolarHBondContact O-N 3Å
441	N	94.4	Very high	87	Confident	95 Å²	95	65.2 Å²	65.2	51%	0.508	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-33.4	179.7	-167.5	59.2	0	0	0	113	S439 K444 R459	S439-N441 PolarHBondContact O-N 3.22Å; S439-N441 VanDerWaalsContact O-N 3.16Å; N441-K444 PolarHBondContact OD1-NZ 2.88Å; N441-R459 VanDerWaalsContact O-CZ 3.26Å; N441-R459 PolarHBondContact O-NH1 3.1Å; N441-R459 PolarHBondContact O-NH2 2.74Å
442	D	93.6	Very high	88.2	Confident	36 Å²	36	63.2 Å²	63.2	19%	0.193	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-25.6	178.6	-159	42.2	0	0	0	112.8	S439 E440 G458 R459 A460	S439-D442 PolarHBondContact O-N 3.07Å; S439-D442 PolarHBondContact OG-N 3.22Å; E440-D442 VanDerWaalsContact C-N 3.35Å; E440-D442 PolarHBondContact O-N 2.96Å; D442-G458 WeakPolarHBondContact OD2-CA 3.46Å; D442-R459 WeakPolarHBondContact O-CG 3.4Å; D442-R459 PolarHBondContact O-N 3.28Å; D442-R459 VanDerWaalsContact O-N 3.12Å; D442-R459 WeakPolarHBondContact OD1-CB 3.49Å; D442-R459 IonicContact OD1-CZ 3.9Å; D442-R459 PolarHBondContact OD1-N 2.7Å; D442-R459 IonicContact OD1-NE 3.75Å; D442-R459 IonicContact OD1-NH2 3.87Å; D442-R459 PolarHBondContact OD2-N 3.44Å; D442-R459 VanDerWaalsContact OD2-N 3.17Å; D442-A460 PolarHBondContact OD2-N 3.25Å
443	A	95.9	Very high	89.6	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-87.5	-3.1	176.7	0	0	0	0	0	114.4	P344 W345 V438 S439 E440	P344-A443 HydrophobicContact CB-CB 3.82Å; W345-A443 HydrophobicContact CG-CB 4.21Å; V438-A443 HydrophobicContact CG1-CB 4.12Å; S439-A443 PolarHBondContact O-N 3.37Å; E440-A443 PolarHBondContact O-N 3.19Å
444	K	95.1	Very high	91.1	Very high	99 Å²	99	51.9 Å²	51.9	43%	0.43	29%	0.288	S	S	.	.	S	Bend	trans	-63.9	137.2	178.1	-81.7	174.1	-171.3	171.2	0	111.5	E440 N441 R459	E440-K444 WeakPolarHBondContact O-CG 3.44Å; E440-K444 PolarHBondContact O-N 3Å; N441-K444 PolarHBondContact OD1-NZ 2.88Å; K444-R459 PolarHBondContact O-NH1 2.96Å
445	P	95.2	Very high	92.4	Very high	91 Å²	91	46.2 Å²	46.2	59%	0.591	26%	0.263	S	S	*	.			trans	-62.7	146	175.6	28.2	-34.9	0	0	0	110.7	D451	P445-D451 HydrophobicContact CB-CB 4.11Å; P445-D451 WeakPolarHBondContact CB-OD2 3.25Å
446	I	95.3	Very high	93.6	Very high	98 Å²	98	41.2 Å²	41.2	50%	0.503	24%	0.236	S	C	.	.			trans	-121.1	10.1	-178.9	56	168.9	0	0	0	112.7	S448 D451 I454	I446-S448 VanDerWaalsContact C-N 3.34Å; I446-D451 WeakPolarHBondContact CG1-OD1 3.43Å; I446-D451 PolarHBondContact N-OD1 2.92Å; I446-D451 PolarHBondContact N-OD2 2.79Å; I446-I454 HydrophobicContact CD1-CD1 4.03Å; I446-I454 HydrophobicContact CG1-CD1 4.13Å
447	G	94.3	Very high	94.6	Very high	50 Å²	50	38.9 Å²	38.9	52%	0.515	23%	0.226	S	C	.	.	S	Bend	trans	74.5	30.2	-174.4	0	0	0	0	0	111.7	M103 D451	M103-G447 WeakPolarHBondContact CE-O 3.3Å; G447-D451 VanDerWaalsContact CA-OD2 3.31Å; G447-D451 WeakPolarHBondContact CA-OD2 3.44Å; G447-D451 PolarHBondContact N-OD2 3.05Å
448	S	94.6	Very high	95.4	Very high	25 Å²	25	34.4 Å²	34.4	18%	0.175	20%	0.199	C	C	.	.			trans	-103.6	151.5	178.7	177.5	0	0	0	0	110.7	I446 Y450 D451	I446-S448 VanDerWaalsContact C-N 3.34Å; S448-Y450 PolarHBondContact O-N 3.09Å; S448-Y450 VanDerWaalsContact O-N 3.08Å; S448-Y450 VanDerWaalsContact OG-CD2 3.22Å; S448-Y450 WeakPolarHBondContact OG-CD2 3.48Å; S448-Y450 PolarHBondContact OG-N 2.92Å; S448-D451 PolarHBondContact N-OD1 3.39Å; S448-D451 PolarHBondContact N-OD2 2.89Å; S448-D451 VanDerWaalsContact O-CB 3.31Å; S448-D451 WeakPolarHBondContact O-CB 3.27Å; S448-D451 PolarHBondContact O-N 3.39Å
449	R	95.9	Very high	95.6	Very high	27 Å²	27	36.6 Å²	36.6	10%	0.102	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.8	169.1	71	173.6	-57.1	152.9	8.4	113.1	L106 T107 I538 N539	L106-R449 CarbonylContact C-O 3.46Å; L106-R449 HydrophobicContact CB-CB 3.76Å; L106-R449 HydrophobicContact CD1-CB 4.49Å; L106-R449 PolarHBondContact O-NH2 3.38Å; T107-R449 WeakPolarHBondContact CA-O 3.39Å; T107-R449 WeakPolarHBondContact CB-O 3.35Å; T107-R449 PolarHBondContact N-O 3.38Å; T107-R449 PolarHBondContact OG1-O 3.12Å; R449-I538 PolarHBondContact NH1-O 3.06Å; R449-I538 PolarHBondContact NH2-O 3.25Å; R449-N539 VanDerWaalsContact NH1-CB 3.3Å; R449-N539 VanDerWaalsContact NH1-CG 3.26Å; R449-N539 PolarHBondContact NH1-OD1 3.5Å; R449-N539 VanDerWaalsContact NH1-OD1 3.1Å
450	Y	97.1	Very high	95.7	Very high	6 Å²	6	36.4 Å²	36.4	2%	0.024	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.3	179.2	-44.9	-66.6	0	0	0	113.1	S448 G452 Q453 I454 Q462 K466 N539 E541	S448-Y450 PolarHBondContact O-N 3.09Å; S448-Y450 VanDerWaalsContact O-N 3.08Å; S448-Y450 VanDerWaalsContact OG-CD2 3.22Å; S448-Y450 WeakPolarHBondContact OG-CD2 3.48Å; S448-Y450 PolarHBondContact OG-N 2.92Å; Y450-G452 PolarHBondContact O-N 3.01Å; Y450-G452 VanDerWaalsContact O-N 3.16Å; Y450-Q453 PolarHBondContact O-N 2.87Å; Y450-I454 WeakPolarHBondContact O-CG1 3.11Å; Y450-I454 PolarHBondContact O-N 2.98Å; Y450-Q462 HydrophobicContact CD2-CG 4.13Å; Y450-Q462 HydrophobicContact CG-CG 4.13Å; Y450-K466 HydrophobicContact CE2-CD 4.5Å; Y450-N539 PolarHBondContact OH-ND2 3.34Å; Y450-E541 WeakPolarHBondContact CE2-OE2 3.46Å; Y450-E541 PolarHBondContact OH-OE2 2.85Å
451	D	96.7	Very high	95.8	Very high	15 Å²	15	33.1 Å²	33.1	8%	0.08	19%	0.192	C	C	.	.	H	α-helix	trans	-55.5	-35.3	-174.7	-79.8	-15.3	0	0	0	112.9	P445 I446 G447 S448 Q453 I454 A455	P445-D451 HydrophobicContact CB-CB 4.11Å; P445-D451 WeakPolarHBondContact CB-OD2 3.25Å; I446-D451 WeakPolarHBondContact CG1-OD1 3.43Å; I446-D451 PolarHBondContact N-OD1 2.92Å; I446-D451 PolarHBondContact N-OD2 2.79Å; G447-D451 VanDerWaalsContact CA-OD2 3.31Å; G447-D451 WeakPolarHBondContact CA-OD2 3.44Å; G447-D451 PolarHBondContact N-OD2 3.05Å; S448-D451 PolarHBondContact N-OD1 3.39Å; S448-D451 PolarHBondContact N-OD2 2.89Å; S448-D451 VanDerWaalsContact O-CB 3.31Å; S448-D451 WeakPolarHBondContact O-CB 3.27Å; S448-D451 PolarHBondContact O-N 3.39Å; D451-Q453 PolarHBondContact O-N 2.84Å; D451-I454 PolarHBondContact O-N 2.57Å; D451-A455 WeakPolarHBondContact O-CB 3.35Å; D451-A455 PolarHBondContact O-N 3.35Å
452	G	96.4	Very high	96	Very high	4 Å²	4	28.7 Å²	28.7	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-34.8	175.5	0	0	0	0	0	113.4	T107 G388 Q389 Y450	T107-G452 WeakPolarHBondContact OG1-CA 3.33Å; T107-G452 PolarHBondContact OG1-N 3.14Å; G388-G452 CarbonylContact C-O 3.55Å; G388-G452 WeakPolarHBondContact CA-O 3.33Å; Q389-G452 PolarHBondContact N-O 2.98Å; Q389-G452 CarbonylContact O-C 3.57Å; Y450-G452 PolarHBondContact O-N 3.01Å; Y450-G452 VanDerWaalsContact O-N 3.16Å
453	Q	97.6	Very high	96.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-80.1	-38	177.1	-172.2	168.9	-83.7	0	0	111.2	T107 Y450 D451 A455 I456 F457 M489	T107-Q453 HydrophobicContact CG2-CB 4.08Å; Y450-Q453 PolarHBondContact O-N 2.87Å; D451-Q453 PolarHBondContact O-N 2.84Å; Q453-A455 VanDerWaalsContact C-N 3.26Å; Q453-A455 PolarHBondContact O-N 3.48Å; Q453-I456 PolarHBondContact O-N 2.77Å; Q453-F457 HydrophobicContact CG-CD2 3.7Å; Q453-F457 HydrophobicContact CG-CE2 4.07Å; Q453-F457 PolarHBondContact O-N 2.92Å; Q453-M489 PolarHBondContact NE2-O 3.5Å
454	I	97.7	Very high	96.2	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-37.9	173.4	-71.2	165.1	0	0	0	110.8	I446 Y450 D451 I456 F457 G458 R459 Q462	I446-I454 HydrophobicContact CD1-CD1 4.03Å; I446-I454 HydrophobicContact CG1-CD1 4.13Å; Y450-I454 WeakPolarHBondContact O-CG1 3.11Å; Y450-I454 PolarHBondContact O-N 2.98Å; D451-I454 PolarHBondContact O-N 2.57Å; I454-I456 PolarHBondContact O-N 3.06Å; I454-I456 VanDerWaalsContact O-N 3.12Å; I454-F457 PolarHBondContact O-N 3.35Å; I454-G458 VanDerWaalsContact O-CA 3.28Å; I454-G458 WeakPolarHBondContact O-CA 3.35Å; I454-G458 PolarHBondContact O-N 2.87Å; I454-R459 HydrophobicContact CD1-CG 4.14Å; I454-R459 HydrophobicContact CG1-CG 4.33Å; I454-R459 HydrophobicContact CG2-CG 3.67Å; I454-Q462 HydrophobicContact CD1-CG 4.4Å; I454-Q462 HydrophobicContact CG1-CB 3.99Å; I454-Q462 HydrophobicContact CG1-CG 4.2Å
455	A	97.2	Very high	96.4	Very high	6 Å²	6	33 Å²	33	5%	0.05	19%	0.187	C	C	.	.	H	α-helix	trans	-58.5	-24.3	175.1	0	0	0	0	0	113.4	P344 W345 D451 Q453	P344-A455 HydrophobicContact CB-CB 4.07Å; P344-A455 HydrophobicContact CG-CB 3.74Å; W345-A455 PolarHBondContact NE1-O 3.32Å; W345-A455 VanDerWaalsContact NE1-O 3.12Å; D451-A455 WeakPolarHBondContact O-CB 3.35Å; D451-A455 PolarHBondContact O-N 3.35Å; Q453-A455 VanDerWaalsContact C-N 3.26Å; Q453-A455 PolarHBondContact O-N 3.48Å
456	I	97.5	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-92.9	-54.1	178.1	-52.8	173.5	0	0	0	110.3	L189 W345 V385 C390 L428 Q453 I454	L189-I456 HydrophobicContact CD1-CG2 3.96Å; L189-I456 HydrophobicContact CD2-CG2 4.2Å; L189-I456 HydrophobicContact CG-CG2 3.82Å; W345-I456 VanDerWaalsContact CZ2-O 3.23Å; W345-I456 WeakPolarHBondContact CZ2-O 3.21Å; W345-I456 PolarHBondContact NE1-O 3.28Å; V385-I456 HydrophobicContact CB-CG2 4.39Å; V385-I456 HydrophobicContact CG1-CG2 4.21Å; C390-I456 HydrophobicContact CB-CD1 3.73Å; L428-I456 HydrophobicContact CD2-CG2 4.09Å; Q453-I456 PolarHBondContact O-N 2.77Å; I454-I456 PolarHBondContact O-N 3.06Å; I454-I456 VanDerWaalsContact O-N 3.12Å
457	F	96.9	Very high	96.7	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.022	15%	0.152	C	C	.	.	H	α-helix	trans	-107.7	-7.8	-165.7	-55.6	-72	0	0	0	115	L189 C427 L428 V438 Q453 I454 F461 F912	L189-F457 HydrophobicContact CD1-CE1 4.49Å; L189-F457 HydrophobicContact CD2-CE1 4.4Å; L189-F457 HydrophobicContact CD2-CZ 3.85Å; C427-F457 HydrophobicContact CB-CE1 3.98Å; C427-F457 HydrophobicContact CB-CZ 4.28Å; C427-F457 VanDerWaalsContact O-CE1 3.22Å; C427-F457 WeakPolarHBondContact O-CE1 3.39Å; L428-F457 HydrophobicContact CD2-CD1 4.27Å; L428-F457 HydrophobicContact CD2-CE1 4.28Å; V438-F457 WeakPolarHBondContact CG2-O 3.43Å; Q453-F457 HydrophobicContact CG-CD2 3.7Å; Q453-F457 HydrophobicContact CG-CE2 4.07Å; Q453-F457 PolarHBondContact O-N 2.92Å; I454-F457 PolarHBondContact O-N 3.35Å; F457-F461 HydrophobicContact CB-CB 3.83Å; F457-F461 HydrophobicContact CB-CD1 3.21Å; F457-F461 HydrophobicContact CB-CE1 3.8Å; F457-F461 HydrophobicContact CB-CG 3.64Å; F457-F461 HydrophobicContact CD1-CD1 4.44Å; F457-F461 HydrophobicContact CD1-CE1 4.23Å; F457-F461 HydrophobicContact CD2-CD1 4.03Å; F457-F461 AromaticContact CD2-CE1 3.81Å; F457-F461 HydrophobicContact CD2-CE1 3.81Å; F457-F461 HydrophobicContact CE2-CE1 4.39Å; F457-F461 AromaticContact CG-CD1 3.68Å; F457-F461 HydrophobicContact CG-CD1 3.68Å; F457-F461 AromaticContact CG-CE1 3.7Å; F457-F461 HydrophobicContact CG-CE1 3.7Å; F457-F461 HydrophobicContact CG-CG 4.37Å; F457-F461 HydrophobicContact CG-CZ 4.46Å; F457-F461 VanDerWaalsContact O-CB 3.28Å; F457-F461 WeakPolarHBondContact O-CB 3.46Å; F457-F912 HydrophobicContact CE2-CD1 4.45Å; F457-F912 HydrophobicContact CE2-CD2 4Å; F457-F912 HydrophobicContact CE2-CE1 4.21Å; F457-F912 AromaticContact CE2-CE2 3.78Å; F457-F912 HydrophobicContact CE2-CE2 3.78Å; F457-F912 HydrophobicContact CE2-CG 4.34Å; F457-F912 AromaticContact CE2-CZ 3.88Å; F457-F912 HydrophobicContact CE2-CZ 3.88Å; F457-F912 HydrophobicContact CZ-CB 4.48Å; F457-F912 AromaticContact CZ-CD2 3.61Å; F457-F912 HydrophobicContact CZ-CD2 3.61Å; F457-F912 AromaticContact CZ-CE2 3.82Å; F457-F912 HydrophobicContact CZ-CE2 3.82Å; F457-F912 HydrophobicContact CZ-CG 4.01Å; F457-F912 HydrophobicContact CZ-CZ 4.34Å
458	G	96	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.			trans	80.6	162.1	-176.6	0	0	0	0	0	114.4	D442 I454 A460 F461 Q462	D442-G458 WeakPolarHBondContact OD2-CA 3.46Å; I454-G458 VanDerWaalsContact O-CA 3.28Å; I454-G458 WeakPolarHBondContact O-CA 3.35Å; I454-G458 PolarHBondContact O-N 2.87Å; G458-A460 VanDerWaalsContact C-N 3.35Å; G458-A460 PolarHBondContact O-N 2.81Å; G458-F461 PolarHBondContact O-N 3.1Å; G458-Q462 PolarHBondContact O-N 3.38Å
459	R	95.5	Very high	97.1	Very high	64 Å²	64	27.5 Å²	27.5	24%	0.242	14%	0.14	C	C	.	.	H	α-helix	trans	-66.2	-36.1	-178.4	-68.3	-177.5	-62.5	-94.5	-3.9	112.6	N441 D442 K444 I454 F461 Q462 E463	N441-R459 VanDerWaalsContact O-CZ 3.26Å; N441-R459 PolarHBondContact O-NH1 3.1Å; N441-R459 PolarHBondContact O-NH2 2.74Å; D442-R459 WeakPolarHBondContact O-CG 3.4Å; D442-R459 PolarHBondContact O-N 3.28Å; D442-R459 VanDerWaalsContact O-N 3.12Å; D442-R459 WeakPolarHBondContact OD1-CB 3.49Å; D442-R459 IonicContact OD1-CZ 3.9Å; D442-R459 PolarHBondContact OD1-N 2.7Å; D442-R459 IonicContact OD1-NE 3.75Å; D442-R459 IonicContact OD1-NH2 3.87Å; D442-R459 PolarHBondContact OD2-N 3.44Å; D442-R459 VanDerWaalsContact OD2-N 3.17Å; K444-R459 PolarHBondContact O-NH1 2.96Å; I454-R459 HydrophobicContact CD1-CG 4.14Å; I454-R459 HydrophobicContact CG1-CG 4.33Å; I454-R459 HydrophobicContact CG2-CG 3.67Å; R459-F461 PolarHBondContact O-N 2.93Å; R459-Q462 WeakPolarHBondContact O-CB 3.34Å; R459-Q462 PolarHBondContact O-N 3.42Å; R459-Q462 VanDerWaalsContact O-N 3.14Å; R459-E463 PolarHBondContact O-N 2.84Å
460	A	93.9	Very high	97.2	Very high	58 Å²	58	26.5 Å²	26.5	48%	0.479	14%	0.136	S	C	.	.	H	α-helix	trans	-60	-38.2	179.7	0	0	0	0	0	111.7	D442 G458 K464	D442-A460 PolarHBondContact OD2-N 3.25Å; G458-A460 VanDerWaalsContact C-N 3.35Å; G458-A460 PolarHBondContact O-N 2.81Å; A460-K464 PolarHBondContact O-N 2.84Å
461	F	95.8	Very high	97.3	Very high	12 Å²	12	26.2 Å²	26.2	5%	0.053	14%	0.135	C	C	.	.	H	α-helix	trans	-68.8	-42.3	174.5	179.5	-100.7	0	0	0	112.4	F457 G458 R459 E463 K464 L465 F912 V915 Q916	F457-F461 HydrophobicContact CB-CB 3.83Å; F457-F461 HydrophobicContact CB-CD1 3.21Å; F457-F461 HydrophobicContact CB-CE1 3.8Å; F457-F461 HydrophobicContact CB-CG 3.64Å; F457-F461 HydrophobicContact CD1-CD1 4.44Å; F457-F461 HydrophobicContact CD1-CE1 4.23Å; F457-F461 HydrophobicContact CD2-CD1 4.03Å; F457-F461 AromaticContact CD2-CE1 3.81Å; F457-F461 HydrophobicContact CD2-CE1 3.81Å; F457-F461 HydrophobicContact CE2-CE1 4.39Å; F457-F461 AromaticContact CG-CD1 3.68Å; F457-F461 HydrophobicContact CG-CD1 3.68Å; F457-F461 AromaticContact CG-CE1 3.7Å; F457-F461 HydrophobicContact CG-CE1 3.7Å; F457-F461 HydrophobicContact CG-CG 4.37Å; F457-F461 HydrophobicContact CG-CZ 4.46Å; F457-F461 VanDerWaalsContact O-CB 3.28Å; F457-F461 WeakPolarHBondContact O-CB 3.46Å; G458-F461 PolarHBondContact O-N 3.1Å; R459-F461 PolarHBondContact O-N 2.93Å; F461-E463 VanDerWaalsContact C-N 3.28Å; F461-E463 PolarHBondContact O-N 3.48Å; F461-K464 WeakPolarHBondContact O-CB 3.16Å; F461-K464 PolarHBondContact O-N 2.86Å; F461-K464 VanDerWaalsContact O-N 3.09Å; F461-L465 HydrophobicContact CD1-CD1 3.86Å; F461-L465 HydrophobicContact CD1-CG 4.33Å; F461-L465 HydrophobicContact CE1-CD1 3.4Å; F461-L465 VanDerWaalsContact CE1-CD1 3.4Å; F461-L465 HydrophobicContact CE1-CG 3.93Å; F461-L465 HydrophobicContact CZ-CD1 4.07Å; F461-L465 HydrophobicContact CZ-CD2 4.38Å; F461-L465 HydrophobicContact CZ-CG 4.17Å; F461-L465 PolarHBondContact O-N 3.03Å; F461-F912 AromaticContact CE1-CD1 3.71Å; F461-F912 HydrophobicContact CE1-CD1 3.71Å; F461-F912 HydrophobicContact CE1-CE1 4.06Å; F461-F912 HydrophobicContact CE1-CG 4.48Å; F461-F912 HydrophobicContact CZ-CB 4.05Å; F461-F912 AromaticContact CZ-CD1 3.57Å; F461-F912 HydrophobicContact CZ-CD1 3.57Å; F461-F912 HydrophobicContact CZ-CE1 4.37Å; F461-F912 HydrophobicContact CZ-CG 4.15Å; F461-V915 HydrophobicContact CD2-CG1 4.11Å; F461-V915 HydrophobicContact CE2-CB 3.79Å; F461-V915 HydrophobicContact CE2-CG1 3.58Å; F461-V915 HydrophobicContact CZ-CB 4.24Å; F461-V915 HydrophobicContact CZ-CG1 4.18Å; F461-Q916 HydrophobicContact CD2-CG 3.79Å; F461-Q916 HydrophobicContact CE2-CG 3.42Å; F461-Q916 VanDerWaalsContact CE2-CG 3.42Å; F461-Q916 HydrophobicContact CZ-CG 4.33Å
462	Q	97.4	Very high	97.4	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-58.5	-40.7	177	-172.7	60.5	49.1	0	0	112.2	Y450 I454 G458 R459 K464 L465 K466 M489	Y450-Q462 HydrophobicContact CD2-CG 4.13Å; Y450-Q462 HydrophobicContact CG-CG 4.13Å; I454-Q462 HydrophobicContact CD1-CG 4.4Å; I454-Q462 HydrophobicContact CG1-CB 3.99Å; I454-Q462 HydrophobicContact CG1-CG 4.2Å; G458-Q462 PolarHBondContact O-N 3.38Å; R459-Q462 WeakPolarHBondContact O-CB 3.34Å; R459-Q462 PolarHBondContact O-N 3.42Å; R459-Q462 VanDerWaalsContact O-N 3.14Å; Q462-K464 VanDerWaalsContact C-N 3.35Å; Q462-L465 PolarHBondContact O-N 2.94Å; Q462-K466 HydrophobicContact CG-CD 4.41Å; Q462-K466 WeakPolarHBondContact O-CG 3.25Å; Q462-K466 PolarHBondContact O-N 3.14Å; Q462-M489 PolarHBondContact NE2-O 3.42Å
463	E	96.9	Very high	97.5	Very high	102 Å²	102	25.5 Å²	25.5	48%	0.477	13%	0.13	S	C	.	.	H	α-helix	trans	-67.8	-33.5	176.3	-68	-53.5	138.8	0	0	112.6	R459 F461 K466 G467	R459-E463 PolarHBondContact O-N 2.84Å; F461-E463 VanDerWaalsContact C-N 3.28Å; F461-E463 PolarHBondContact O-N 3.48Å; E463-K466 VanDerWaalsContact CD-NZ 3.27Å; E463-K466 PolarHBondContact O-N 3.45Å; E463-K466 IonicContact OE1-NZ 2.82Å; E463-K466 PolarHBondContact OE1-NZ 3.31Å; E463-K466 IonicContact OE2-NZ 2.9Å; E463-K466 PolarHBondContact OE2-NZ 3Å; E463-G467 PolarHBondContact O-N 3.28Å; E463-G467 VanDerWaalsContact O-N 3.12Å
464	K	97.5	Very high	97.5	Very high	122 Å²	122	25.9 Å²	25.9	53%	0.53	13%	0.134	S	C	.	.	H	α-helix	trans	-61.3	-47.9	170.9	-70.8	179.1	179.5	-178	0	111.4	A460 F461 Q462 K466 G467 L468 V915	A460-K464 PolarHBondContact O-N 2.84Å; F461-K464 WeakPolarHBondContact O-CB 3.16Å; F461-K464 PolarHBondContact O-N 2.86Å; F461-K464 VanDerWaalsContact O-N 3.09Å; Q462-K464 VanDerWaalsContact C-N 3.35Å; K464-K466 VanDerWaalsContact C-N 3.31Å; K464-K466 PolarHBondContact O-N 3.07Å; K464-G467 PolarHBondContact O-N 3.42Å; K464-L468 PolarHBondContact O-N 3.41Å; K464-V915 HydrophobicContact CB-CG1 3.89Å
465	L	98	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.7	-45.3	177	-76.7	171.5	0	0	0	111.9	F461 Q462 G467 L468 G490 V491 G492 F912 V915	F461-L465 HydrophobicContact CD1-CD1 3.86Å; F461-L465 HydrophobicContact CD1-CG 4.33Å; F461-L465 HydrophobicContact CE1-CD1 3.4Å; F461-L465 VanDerWaalsContact CE1-CD1 3.4Å; F461-L465 HydrophobicContact CE1-CG 3.93Å; F461-L465 HydrophobicContact CZ-CD1 4.07Å; F461-L465 HydrophobicContact CZ-CD2 4.38Å; F461-L465 HydrophobicContact CZ-CG 4.17Å; F461-L465 PolarHBondContact O-N 3.03Å; Q462-L465 PolarHBondContact O-N 2.94Å; L465-G467 PolarHBondContact O-N 2.89Å; L465-L468 HydrophobicContact CD2-CD1 3.89Å; L465-L468 WeakPolarHBondContact O-CB 3.42Å; L465-L468 WeakPolarHBondContact O-CG 3.36Å; L465-L468 PolarHBondContact O-N 3.22Å; L465-G490 CarbonylContact C-O 3.53Å; L465-V491 HydrophobicContact CD2-CG2 4.17Å; L465-V491 WeakPolarHBondContact O-CA 3.41Å; L465-G492 PolarHBondContact O-N 2.76Å; L465-F912 HydrophobicContact CD1-CD1 4.35Å; L465-F912 HydrophobicContact CD1-CE1 3.98Å; L465-F912 HydrophobicContact CD2-CD1 4.42Å; L465-V915 HydrophobicContact CD2-CB 4.37Å; L465-V915 HydrophobicContact CD2-CG1 4.11Å; L465-V915 HydrophobicContact CD2-CG2 3.92Å; L465-V915 HydrophobicContact CG-CG1 4.26Å
466	K	98.5	Very high	97.6	Very high	35 Å²	35	26 Å²	26	15%	0.152	14%	0.136	C	C	.	.	H	α-helix	trans	-59.3	-33.1	176.7	-74.9	170.4	66.7	-159.5	0	112.6	Y450 Q462 E463 K464 L468 G490 G492 A493 G494 G497	Y450-K466 HydrophobicContact CE2-CD 4.5Å; Q462-K466 HydrophobicContact CG-CD 4.41Å; Q462-K466 WeakPolarHBondContact O-CG 3.25Å; Q462-K466 PolarHBondContact O-N 3.14Å; E463-K466 VanDerWaalsContact CD-NZ 3.27Å; E463-K466 PolarHBondContact O-N 3.45Å; E463-K466 IonicContact OE1-NZ 2.82Å; E463-K466 PolarHBondContact OE1-NZ 3.31Å; E463-K466 IonicContact OE2-NZ 2.9Å; E463-K466 PolarHBondContact OE2-NZ 3Å; K464-K466 VanDerWaalsContact C-N 3.31Å; K464-K466 PolarHBondContact O-N 3.07Å; K466-L468 VanDerWaalsContact C-N 3.34Å; K466-L468 PolarHBondContact O-N 2.92Å; K466-G490 VanDerWaalsContact CA-O 3.26Å; K466-G490 WeakPolarHBondContact CA-O 3.3Å; K466-G490 PolarHBondContact N-O 2.91Å; K466-G492 CarbonylContact O-C 3.49Å; K466-G492 VanDerWaalsContact O-C 3.22Å; K466-G492 VanDerWaalsContact O-CA 3.26Å; K466-G492 WeakPolarHBondContact O-CA 3.32Å; K466-A493 HydrophobicContact CG-CB 4.35Å; K466-A493 PolarHBondContact O-N 3.38Å; K466-G494 VanDerWaalsContact O-CA 3.27Å; K466-G494 WeakPolarHBondContact O-CA 3.4Å; K466-G494 PolarHBondContact O-N 2.95Å; K466-G497 WeakPolarHBondContact O-CA 3.42Å
467	G	98.3	Very high	97.6	Very high	22 Å²	22	26.6 Å²	26.6	23%	0.227	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-10.3	179.8	0	0	0	0	0	115.8	E463 K464 L465 G497	E463-G467 PolarHBondContact O-N 3.28Å; E463-G467 VanDerWaalsContact O-N 3.12Å; K464-G467 PolarHBondContact O-N 3.42Å; L465-G467 PolarHBondContact O-N 2.89Å; G467-G497 WeakPolarHBondContact O-CA 3.29Å
468	L	98.7	Very high	97.6	Very high	19 Å²	19	26.7 Å²	26.7	10%	0.099	14%	0.142	C	C	.	.			trans	-69.5	147.7	-170.7	-67.3	173.4	0	0	0	114.4	K464 L465 K466 Y470 V491 G492 G497 K498 D568 V915	K464-L468 PolarHBondContact O-N 3.41Å; L465-L468 HydrophobicContact CD2-CD1 3.89Å; L465-L468 WeakPolarHBondContact O-CB 3.42Å; L465-L468 WeakPolarHBondContact O-CG 3.36Å; L465-L468 PolarHBondContact O-N 3.22Å; K466-L468 VanDerWaalsContact C-N 3.34Å; K466-L468 PolarHBondContact O-N 2.92Å; L468-Y470 HydrophobicContact CB-CD2 4.31Å; L468-Y470 HydrophobicContact CD1-CE2 4.46Å; L468-V491 HydrophobicContact CB-CG1 4.21Å; L468-V491 HydrophobicContact CD1-CG1 4.21Å; L468-G492 VanDerWaalsContact O-CA 3.23Å; L468-G492 WeakPolarHBondContact O-CA 3.19Å; L468-G497 CarbonylContact O-C 3.44Å; L468-G497 WeakPolarHBondContact O-CA 3.36Å; L468-K498 PolarHBondContact O-N 2.71Å; L468-D568 WeakPolarHBondContact CA-OD2 3.42Å; L468-D568 HydrophobicContact CD2-CB 3.9Å; L468-V915 HydrophobicContact CD1-CG2 3.51Å; L468-V915 HydrophobicContact CD2-CG2 4.29Å; L468-V915 HydrophobicContact CG-CG2 4.47Å
469	K	98.8	Very high	97.8	Very high	74 Å²	74	26.7 Å²	26.7	32%	0.322	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.7	171.3	-66.4	172.3	-175.1	171.1	0	110.4	S496 K498 K566 D568	K469-S496 WeakPolarHBondContact CE-O 3.34Å; K469-K498 CarbonylContact C-O 3.31Å; K469-K498 WeakPolarHBondContact CA-O 3.43Å; K469-K498 HydrophobicContact CG-CB 4.28Å; K469-K566 WeakPolarHBondContact CD-O 3.43Å; K469-D568 PolarHBondContact N-OD2 2.82Å; K469-D568 PolarHBondContact O-N 2.94Å
470	Y	98.8	Very high	97.9	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.02	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.1	-176.6	-106.7	-105.7	0	0	0	112.2	L468 F486 K498 V499 V500 D568 G569 A571 L595 L911	L468-Y470 HydrophobicContact CB-CD2 4.31Å; L468-Y470 HydrophobicContact CD1-CE2 4.46Å; Y470-F486 AromaticContact CD1-CE2 3.81Å; Y470-F486 HydrophobicContact CD1-CE2 3.81Å; Y470-F486 HydrophobicContact CD1-CZ 4.03Å; Y470-F486 HydrophobicContact CE1-CZ 4.45Å; Y470-F486 HydrophobicContact CG-CE2 4.01Å; Y470-K498 PolarHBondContact N-O 3.43Å; Y470-V499 WeakPolarHBondContact O-CA 3.19Å; Y470-V500 PolarHBondContact O-N 3.4Å; Y470-D568 HydrophobicContact CE2-CB 4.34Å; Y470-G569 WeakPolarHBondContact CA-O 3.47Å; Y470-A571 HydrophobicContact CD1-CB 4.41Å; Y470-L595 HydrophobicContact CE1-CD1 4Å; Y470-L911 HydrophobicContact CE1-CD1 4.14Å; Y470-L911 HydrophobicContact CE2-CD1 3.75Å; Y470-L911 VanDerWaalsContact CZ-CD1 3.42Å; Y470-L911 WeakPolarHBondContact OH-CD1 3.3Å
471	F	98.9	Very high	98.2	Very high	1 Å²	1	20.9 Å²	20.9	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.6	170.5	-176.8	-144.4	0	0	0	110	V473 V500 T502 V551 Y559 F563 L567 G569 I570 A571	F471-V473 HydrophobicContact CD1-CG2 3.72Å; F471-V473 HydrophobicContact CE1-CG2 3.52Å; F471-V473 HydrophobicContact CE2-CG2 4.44Å; F471-V473 HydrophobicContact CG-CG2 4.29Å; F471-V473 HydrophobicContact CZ-CG2 3.92Å; F471-V500 CarbonylContact C-O 3.53Å; F471-V500 WeakPolarHBondContact CA-O 3.3Å; F471-V500 HydrophobicContact CD2-CB 4.02Å; F471-V500 HydrophobicContact CD2-CG1 3.98Å; F471-V500 WeakPolarHBondContact CD2-O 3.44Å; F471-V500 HydrophobicContact CE2-CG1 4.09Å; F471-T502 HydrophobicContact CE2-CG2 3.56Å; F471-T502 HydrophobicContact CZ-CG2 3.52Å; F471-V551 HydrophobicContact CE1-CG2 4.25Å; F471-V551 HydrophobicContact CZ-CG2 3.83Å; F471-Y559 HydrophobicContact CE1-CD1 4.39Å; F471-Y559 AromaticContact CE2-CE1 3.97Å; F471-Y559 HydrophobicContact CE2-CE1 3.97Å; F471-Y559 AromaticContact CZ-CD1 3.96Å; F471-Y559 HydrophobicContact CZ-CD1 3.96Å; F471-Y559 AromaticContact CZ-CE1 3.67Å; F471-Y559 HydrophobicContact CZ-CE1 3.67Å; F471-Y559 HydrophobicContact CZ-CE2 4.39Å; F471-Y559 HydrophobicContact CZ-CG 4.45Å; F471-Y559 AromaticContact CZ-CZ 3.92Å; F471-F563 HydrophobicContact CB-CE1 4.34Å; F471-F563 HydrophobicContact CB-CZ 4.28Å; F471-F563 AromaticContact CD1-CE1 3.77Å; F471-F563 HydrophobicContact CD1-CE1 3.77Å; F471-F563 HydrophobicContact CD1-CZ 4.19Å; F471-F563 HydrophobicContact CD2-CE1 4.22Å; F471-F563 AromaticContact CD2-CZ 3.78Å; F471-F563 HydrophobicContact CD2-CZ 3.78Å; F471-F563 AromaticContact CE1-CE1 3.99Å; F471-F563 HydrophobicContact CE1-CE1 3.99Å; F471-F563 HydrophobicContact CE1-CZ 4.42Å; F471-F563 HydrophobicContact CE2-CE1 4.43Å; F471-F563 HydrophobicContact CE2-CZ 4.06Å; F471-F563 AromaticContact CG-CE1 3.88Å; F471-F563 HydrophobicContact CG-CE1 3.88Å; F471-F563 AromaticContact CG-CZ 3.85Å; F471-F563 HydrophobicContact CG-CZ 3.85Å; F471-F563 HydrophobicContact CZ-CE1 4.31Å; F471-F563 HydrophobicContact CZ-CZ 4.36Å; F471-L567 HydrophobicContact CB-CD1 3.68Å; F471-L567 HydrophobicContact CB-CD2 4.1Å; F471-L567 HydrophobicContact CD1-CD1 4.48Å; F471-L567 HydrophobicContact CG-CD1 4.45Å; F471-G569 PolarHBondContact N-O 2.87Å; F471-I570 HydrophobicContact CB-CG1 4.18Å; F471-I570 HydrophobicContact CD1-CG1 4.48Å; F471-I570 HydrophobicContact CD1-CG2 4.41Å; F471-I570 CarbonylContact O-C 3.58Å; F471-I570 VanDerWaalsContact O-CA 3.31Å; F471-I570 WeakPolarHBondContact O-CA 3.28Å; F471-I570 WeakPolarHBondContact O-CG2 3.43Å; F471-A571 PolarHBondContact O-N 3.01Å
472	I	98.9	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.4	175.2	-59.4	177.3	0	0	0	108.2	G474 L482 L483 F486 V499 V500 V501 T502 A571	I472-G474 WeakPolarHBondContact CG2-O 3.33Å; I472-L482 HydrophobicContact CD1-CB 4.5Å; I472-L482 HydrophobicContact CG2-CD1 4.47Å; I472-L483 HydrophobicContact CD1-CD2 3.69Å; I472-L483 HydrophobicContact CD1-CG 4.32Å; I472-F486 HydrophobicContact CD1-CD2 3.83Å; I472-F486 HydrophobicContact CD1-CE2 3.9Å; I472-F486 HydrophobicContact CD1-CG 4.39Å; I472-F486 HydrophobicContact CG1-CE2 4.18Å; I472-V499 HydrophobicContact CD1-CG1 3.81Å; I472-V499 HydrophobicContact CG1-CG1 4.16Å; I472-V500 PolarHBondContact N-O 2.94Å; I472-V501 HydrophobicContact CB-CB 4.26Å; I472-V501 HydrophobicContact CB-CG2 4.1Å; I472-V501 HydrophobicContact CG2-CG2 4.09Å; I472-V501 WeakPolarHBondContact O-CA 3.46Å; I472-T502 PolarHBondContact O-N 2.65Å; I472-T502 VanDerWaalsContact O-N 3.07Å; I472-A571 WeakPolarHBondContact CA-O 3.44Å; I472-A571 HydrophobicContact CG1-CB 4.43Å
473	V	98.8	Very high	98.4	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.024	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.5	-179.6	-168.6	0	0	0	0	109.5	F471 T502 V551 I570 A571 A573 L574 V583	F471-V473 HydrophobicContact CD1-CG2 3.72Å; F471-V473 HydrophobicContact CE1-CG2 3.52Å; F471-V473 HydrophobicContact CE2-CG2 4.44Å; F471-V473 HydrophobicContact CG-CG2 4.29Å; F471-V473 HydrophobicContact CZ-CG2 3.92Å; V473-T502 HydrophobicContact CG1-CG2 4.37Å; V473-V551 HydrophobicContact CG1-CB 3.87Å; V473-V551 HydrophobicContact CG1-CG1 4.39Å; V473-V551 HydrophobicContact CG1-CG2 3.59Å; V473-V551 HydrophobicContact CG2-CG2 4.47Å; V473-I570 HydrophobicContact CG2-CG2 4.09Å; V473-A571 PolarHBondContact N-O 3.25Å; V473-A573 CarbonylContact O-C 3.53Å; V473-A573 WeakPolarHBondContact O-CA 3.44Å; V473-A573 PolarHBondContact O-N 3.11Å; V473-L574 HydrophobicContact CB-CD2 4.49Å; V473-L574 HydrophobicContact CG1-CD2 3.78Å; V473-L574 HydrophobicContact CG1-CG 4.37Å; V473-V583 HydrophobicContact CB-CG2 4.49Å; V473-V583 HydrophobicContact CG1-CG2 4.24Å; V473-V583 HydrophobicContact CG2-CG2 4.18Å
474	G	98.3	Very high	98.4	Very high	8 Å²	8	15.4 Å²	15.4	8%	0.082	8%	0.082	C	C	.	.			trans	104	138.5	-172.9	0	0	0	0	0	112.5	I472 T502 A573	I472-G474 WeakPolarHBondContact CG2-O 3.33Å; G474-T502 WeakPolarHBondContact CA-O 3.32Å; G474-T502 PolarHBondContact N-O 2.76Å; G474-A573 WeakPolarHBondContact O-CB 3.44Å
475	S	98.1	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.057	C	C	.	.			trans	-126.6	21.8	179.7	-155.8	0	0	0	0	111.7	D503 A531	S475-D503 WeakPolarHBondContact CA-OD2 3.29Å; S475-D503 PolarHBondContact N-OD2 2.96Å; S475-A531 VanDerWaalsContact OG-CB 3.23Å; S475-A531 WeakPolarHBondContact OG-CB 3.18Å
476	G	97.1	Very high	98.5	Very high	11 Å²	11	9.6 Å²	9.6	11%	0.113	6%	0.057	C	C	.	.	S	Bend	trans	-73.9	-143.7	172.8	0	0	0	0	0	113.5	G479 C480 D503	G476-G479 PolarHBondContact O-N 2.86Å; G476-C480 PolarHBondContact O-N 3.27Å; G476-C480 PolarHBondContact O-SG 2.89Å; G476-C480 VanDerWaalsContact O-SG 3.33Å; G476-D503 PolarHBondContact N-OD2 2.72Å
477	A	97.8	Very high	98.5	Very high	13 Å²	13	7.9 Å²	7.9	11%	0.107	5%	0.05	C	C	.	.	H	α-helix	trans	-59.6	-57.4	-174.4	0	0	0	0	0	111.8	G479 C480 E481 R514 Q515 T900	A477-G479 VanDerWaalsContact C-N 3.29Å; A477-G479 PolarHBondContact O-N 2.93Å; A477-C480 PolarHBondContact O-N 3.48Å; A477-E481 PolarHBondContact O-N 2.89Å; A477-R514 HydrophobicContact CB-CG 3.84Å; A477-Q515 HydrophobicContact CB-CG 4.21Å; A477-T900 HydrophobicContact CB-CG2 3.59Å; A477-T900 VanDerWaalsContact O-CG2 3.25Å; A477-T900 WeakPolarHBondContact O-CG2 3.34Å
478	I	98.6	Very high	98.5	Very high	8 Å²	8	7 Å²	7	4%	0.041	4%	0.04	C	C	.	.	H	α-helix	trans	-62.7	-40.8	178.1	-63.7	173.8	0	0	0	109.9	C480 E481 L482 A573 T599 T900	I478-C480 PolarHBondContact O-N 3.5Å; I478-E481 PolarHBondContact O-N 2.78Å; I478-E481 VanDerWaalsContact O-N 3.12Å; I478-L482 HydrophobicContact CG2-CD1 3.81Å; I478-L482 HydrophobicContact CG2-CG 3.96Å; I478-L482 WeakPolarHBondContact O-CG 3.33Å; I478-L482 PolarHBondContact O-N 3.28Å; I478-A573 HydrophobicContact CB-CB 3.93Å; I478-A573 HydrophobicContact CG2-CB 3.88Å; I478-T599 HydrophobicContact CD1-CG2 4.27Å; I478-T599 HydrophobicContact CG1-CG2 4.49Å; I478-T900 HydrophobicContact CB-CG2 4.45Å; I478-T900 HydrophobicContact CG1-CG2 3.97Å; I478-T900 VanDerWaalsContact N-CG2 3.34Å
479	G	98.6	Very high	98.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.7	-43.8	-179	0	0	0	0	0	112.6	G476 A477 E481 L482 L483	G476-G479 PolarHBondContact O-N 2.86Å; A477-G479 VanDerWaalsContact C-N 3.29Å; A477-G479 PolarHBondContact O-N 2.93Å; G479-E481 PolarHBondContact O-N 3.42Å; G479-L482 PolarHBondContact O-N 3.11Å; G479-L483 WeakPolarHBondContact O-CB 3.11Å; G479-L483 WeakPolarHBondContact O-CG 3.38Å; G479-L483 PolarHBondContact O-N 3.34Å
480	C	98.8	Very high	98.5	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-59.9	-43.5	174.2	-74.3	0	0	0	0	112.6	G476 A477 I478 L483 K484 L517	G476-C480 PolarHBondContact O-N 3.27Å; G476-C480 PolarHBondContact O-SG 2.89Å; G476-C480 VanDerWaalsContact O-SG 3.33Å; A477-C480 PolarHBondContact O-N 3.48Å; I478-C480 PolarHBondContact O-N 3.5Å; C480-L483 PolarHBondContact O-N 2.61Å; C480-K484 PolarHBondContact O-N 3.03Å; C480-L517 HydrophobicContact CB-CB 4.45Å; C480-L517 HydrophobicContact CB-CD1 3.98Å; C480-L517 HydrophobicContact CB-CG 3.99Å
481	E	98.8	Very high	98.5	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-72.7	-35.1	-179.5	-65.4	-64.4	168.4	0	0	112.6	K83 A477 I478 G479 K484 N485 F516 T900 A904	K83-E481 IonicContact NZ-OE1 3.99Å; K83-E481 PolarHBondContact NZ-OE1 2.87Å; A477-E481 PolarHBondContact O-N 2.89Å; I478-E481 PolarHBondContact O-N 2.78Å; I478-E481 VanDerWaalsContact O-N 3.12Å; G479-E481 PolarHBondContact O-N 3.42Å; E481-K484 WeakPolarHBondContact OE2-CE 3.45Å; E481-K484 IonicContact OE2-NZ 2.7Å; E481-K484 PolarHBondContact OE2-NZ 3.26Å; E481-N485 PolarHBondContact O-N 3.44Å; E481-N485 PolarHBondContact O-ND2 3.16Å; E481-F516 WeakPolarHBondContact OE1-CD1 3.3Å; E481-T900 HydrophobicContact CG-CG2 3.87Å; E481-A904 HydrophobicContact CB-CB 3.46Å; E481-A904 VanDerWaalsContact CB-CB 3.46Å
482	L	98.8	Very high	98.5	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-64.5	-45.7	170.6	-73.3	178.6	0	0	0	110.9	I472 I478 G479 K484 N485 F486 A571 A573 A904 V907	I472-L482 HydrophobicContact CD1-CB 4.5Å; I472-L482 HydrophobicContact CG2-CD1 4.47Å; I478-L482 HydrophobicContact CG2-CD1 3.81Å; I478-L482 HydrophobicContact CG2-CG 3.96Å; I478-L482 WeakPolarHBondContact O-CG 3.33Å; I478-L482 PolarHBondContact O-N 3.28Å; G479-L482 PolarHBondContact O-N 3.11Å; L482-K484 VanDerWaalsContact C-N 3.35Å; L482-K484 PolarHBondContact O-N 3.01Å; L482-N485 PolarHBondContact O-N 3.02Å; L482-N485 VanDerWaalsContact O-N 3.17Å; L482-F486 HydrophobicContact CD2-CE1 4.23Å; L482-F486 WeakPolarHBondContact O-CB 3.45Å; L482-F486 VanDerWaalsContact O-CD1 3.23Å; L482-F486 WeakPolarHBondContact O-CD1 3.24Å; L482-F486 WeakPolarHBondContact O-CG 3.43Å; L482-F486 PolarHBondContact O-N 2.98Å; L482-A571 HydrophobicContact CD1-CB 4.1Å; L482-A573 HydrophobicContact CD1-CB 4.3Å; L482-A904 HydrophobicContact CD2-CB 4.12Å; L482-A904 HydrophobicContact CG-CB 4.34Å; L482-V907 HydrophobicContact CD2-CB 4.08Å; L482-V907 HydrophobicContact CD2-CG1 3.68Å
483	L	98.8	Very high	98.4	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-62.6	-40.2	178	-73.5	176	0	0	0	112.5	I472 G479 C480 S487 V501 L517 A531 A535 F542 I544	I472-L483 HydrophobicContact CD1-CD2 3.69Å; I472-L483 HydrophobicContact CD1-CG 4.32Å; G479-L483 WeakPolarHBondContact O-CB 3.11Å; G479-L483 WeakPolarHBondContact O-CG 3.38Å; G479-L483 PolarHBondContact O-N 3.34Å; C480-L483 PolarHBondContact O-N 2.61Å; L483-S487 WeakPolarHBondContact O-CB 3.49Å; L483-S487 PolarHBondContact O-N 3.06Å; L483-V501 HydrophobicContact CD1-CG2 4.37Å; L483-V501 HydrophobicContact CD2-CB 4.5Å; L483-L517 HydrophobicContact CB-CD1 4.13Å; L483-L517 HydrophobicContact CD1-CD1 4.48Å; L483-A531 HydrophobicContact CD1-CB 3.56Å; L483-A535 HydrophobicContact CB-CB 4.22Å; L483-F542 HydrophobicContact CD2-CE1 4.15Å; L483-F542 HydrophobicContact CD2-CZ 4.24Å; L483-I544 HydrophobicContact CD1-CD1 4.49Å; L483-I544 HydrophobicContact CD2-CD1 3.24Å; L483-I544 HydrophobicContact CG-CD1 4.47Å
484	K	98.6	Very high	98.3	Very high	1 Å²	1	3 Å²	3	0%	0.004	3%	0.026	C	C	.	.	H	α-helix	trans	-56	-54	170	177.4	-159.2	71.7	-177.5	0	110.6	E80 Y110 S395 C480 E481 L482 S487 L488 F516 I538 S901	E80-K484 IonicContact OE1-NZ 2.96Å; E80-K484 PolarHBondContact OE1-NZ 3.08Å; E80-K484 IonicContact OE2-NZ 3.71Å; E80-K484 PolarHBondContact OE2-NZ 2.83Å; Y110-K484 HydrophobicContact CD1-CD 3.91Å; Y110-K484 HydrophobicContact CD1-CG 4.15Å; Y110-K484 HydrophobicContact CE1-CD 3.9Å; Y110-K484 HydrophobicContact CG-CD 4.28Å; Y110-K484 HydrophobicContact CG-CG 4.21Å; S395-K484 PolarHBondContact OG-NZ 3.48Å; C480-K484 PolarHBondContact O-N 3.03Å; E481-K484 WeakPolarHBondContact OE2-CE 3.45Å; E481-K484 IonicContact OE2-NZ 2.7Å; E481-K484 PolarHBondContact OE2-NZ 3.26Å; L482-K484 VanDerWaalsContact C-N 3.35Å; L482-K484 PolarHBondContact O-N 3.01Å; K484-S487 PolarHBondContact O-N 2.94Å; K484-L488 HydrophobicContact CG-CD1 4.13Å; K484-L488 WeakPolarHBondContact O-CG 3.43Å; K484-L488 PolarHBondContact O-N 3.44Å; K484-F516 HydrophobicContact CB-CE1 4.04Å; K484-F516 HydrophobicContact CB-CZ 3.88Å; K484-F516 HydrophobicContact CD-CE1 3.92Å; K484-F516 HydrophobicContact CD-CZ 3.65Å; K484-F516 HydrophobicContact CG-CE1 4.31Å; K484-F516 HydrophobicContact CG-CZ 3.82Å; K484-I538 HydrophobicContact CB-CD1 4.47Å; K484-I538 HydrophobicContact CG-CD1 4.39Å; K484-S901 PolarHBondContact NZ-OG 3.37Å
485	N	98.7	Very high	98.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65	-45.6	-177.2	-81.2	-64.1	0	0	0	112.4	S391 S395 E481 L482 S487 L488 M489 C908	S391-N485 PolarHBondContact OG-OD1 3.35Å; S395-N485 PolarHBondContact OG-ND2 3.44Å; S395-N485 PolarHBondContact OG-OD1 3.16Å; E481-N485 PolarHBondContact O-N 3.44Å; E481-N485 PolarHBondContact O-ND2 3.16Å; L482-N485 PolarHBondContact O-N 3.02Å; L482-N485 VanDerWaalsContact O-N 3.17Å; N485-S487 VanDerWaalsContact C-N 3.29Å; N485-S487 PolarHBondContact O-N 3.29Å; N485-L488 PolarHBondContact O-N 2.88Å; N485-L488 VanDerWaalsContact O-N 3.15Å; N485-M489 HydrophobicContact CB-SD 4.14Å; N485-M489 VanDerWaalsContact O-CB 3.32Å; N485-M489 WeakPolarHBondContact O-CB 3.29Å; N485-M489 WeakPolarHBondContact O-CG 3.45Å; N485-M489 PolarHBondContact O-N 3.08Å; N485-M489 VanDerWaalsContact O-SD 3.41Å; N485-C908 VanDerWaalsContact CB-SG 3.53Å
486	F	98.7	Very high	98	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.4	-40.7	178.6	-82.7	38.3	0	0	0	111.3	Y470 I472 L482 G490 V491 V499 F542 A571 L911	Y470-F486 AromaticContact CD1-CE2 3.81Å; Y470-F486 HydrophobicContact CD1-CE2 3.81Å; Y470-F486 HydrophobicContact CD1-CZ 4.03Å; Y470-F486 HydrophobicContact CE1-CZ 4.45Å; Y470-F486 HydrophobicContact CG-CE2 4.01Å; I472-F486 HydrophobicContact CD1-CD2 3.83Å; I472-F486 HydrophobicContact CD1-CE2 3.9Å; I472-F486 HydrophobicContact CD1-CG 4.39Å; I472-F486 HydrophobicContact CG1-CE2 4.18Å; L482-F486 HydrophobicContact CD2-CE1 4.23Å; L482-F486 WeakPolarHBondContact O-CB 3.45Å; L482-F486 VanDerWaalsContact O-CD1 3.23Å; L482-F486 WeakPolarHBondContact O-CD1 3.24Å; L482-F486 WeakPolarHBondContact O-CG 3.43Å; L482-F486 PolarHBondContact O-N 2.98Å; F486-G490 PolarHBondContact O-N 3.45Å; F486-V491 HydrophobicContact CB-CB 4.03Å; F486-V491 HydrophobicContact CB-CG2 4.3Å; F486-V491 HydrophobicContact CD1-CG2 4.47Å; F486-V491 HydrophobicContact CD2-CB 3.89Å; F486-V491 HydrophobicContact CD2-CG1 3.63Å; F486-V491 HydrophobicContact CD2-CG2 4.25Å; F486-V491 HydrophobicContact CE2-CG1 3.99Å; F486-V491 HydrophobicContact CG-CB 4.03Å; F486-V491 HydrophobicContact CG-CG1 4.28Å; F486-V491 HydrophobicContact CG-CG2 4.09Å; F486-V491 PolarHBondContact O-N 2.97Å; F486-V499 HydrophobicContact CD2-CG2 4.21Å; F486-F542 HydrophobicContact CB-CE2 4.05Å; F486-F542 HydrophobicContact CB-CZ 3.91Å; F486-A571 HydrophobicContact CZ-CB 4.32Å; F486-L911 HydrophobicContact CD1-CD2 4.46Å; F486-L911 HydrophobicContact CE1-CD2 3.74Å; F486-L911 HydrophobicContact CE2-CD2 4.32Å; F486-L911 HydrophobicContact CZ-CD2 3.66Å
487	S	98.3	Very high	98	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175	-177.8	0	0	0	0	112	L483 K484 N485 G490 A535 I538 N539	L483-S487 WeakPolarHBondContact O-CB 3.49Å; L483-S487 PolarHBondContact O-N 3.06Å; K484-S487 PolarHBondContact O-N 2.94Å; N485-S487 VanDerWaalsContact C-N 3.29Å; N485-S487 PolarHBondContact O-N 3.29Å; S487-G490 PolarHBondContact O-N 3.46Å; S487-A535 PolarHBondContact OG-O 3.1Å; S487-I538 WeakPolarHBondContact OG-CB 3.3Å; S487-N539 WeakPolarHBondContact O-CB 3.47Å; S487-N539 PolarHBondContact O-ND2 3.49Å; S487-N539 WeakPolarHBondContact OG-CB 3.23Å; S487-N539 PolarHBondContact OG-N 2.92Å
488	L	98.1	Very high	98.1	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-67.4	-42.4	176.9	-69.9	171.1	0	0	0	113	Y110 K484 N485 G490 I538	Y110-L488 HydrophobicContact CD1-CD1 3.99Å; K484-L488 HydrophobicContact CG-CD1 4.13Å; K484-L488 WeakPolarHBondContact O-CG 3.43Å; K484-L488 PolarHBondContact O-N 3.44Å; N485-L488 PolarHBondContact O-N 2.88Å; N485-L488 VanDerWaalsContact O-N 3.15Å; L488-G490 PolarHBondContact O-N 3.08Å; L488-I538 HydrophobicContact CD2-CG2 3.92Å; L488-I538 HydrophobicContact CG-CG2 4.26Å
489	M	98.4	Very high	98.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.1	-20.2	178.9	-68.7	159.6	73.5	0	0	112.6	P392 Q453 Q462 N485 V491 C908 L911 F912	P392-M489 HydrophobicContact CG-CE 4.44Å; P392-M489 HydrophobicContact CG-CG 4.41Å; P392-M489 HydrophobicContact CG-SD 3.95Å; Q453-M489 PolarHBondContact NE2-O 3.5Å; Q462-M489 PolarHBondContact NE2-O 3.42Å; N485-M489 HydrophobicContact CB-SD 4.14Å; N485-M489 VanDerWaalsContact O-CB 3.32Å; N485-M489 WeakPolarHBondContact O-CB 3.29Å; N485-M489 WeakPolarHBondContact O-CG 3.45Å; N485-M489 PolarHBondContact O-N 3.08Å; N485-M489 VanDerWaalsContact O-SD 3.41Å; M489-V491 HydrophobicContact CB-CG2 4.01Å; M489-V491 HydrophobicContact CE-CG2 4.25Å; M489-C908 HydrophobicContact CE-CB 3.94Å; M489-C908 HydrophobicContact SD-CB 3.72Å; M489-L911 HydrophobicContact CE-CD2 3.98Å; M489-L911 HydrophobicContact CE-CG 4.4Å; M489-F912 HydrophobicContact CE-CD1 3.75Å; M489-F912 HydrophobicContact CE-CE1 3.28Å; M489-F912 HydrophobicContact CE-CE2 4.45Å; M489-F912 HydrophobicContact CE-CZ 3.69Å; M489-F912 HydrophobicContact CG-CE1 4.17Å; M489-F912 HydrophobicContact CG-CZ 4.06Å; M489-F912 HydrophobicContact SD-CE1 4.45Å; M489-F912 HydrophobicContact SD-CZ 4.41Å
490	G	98.2	Very high	98.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	26.4	-175.5	0	0	0	0	0	113.6	L465 K466 F486 S487 L488 G492 A493	L465-G490 CarbonylContact C-O 3.53Å; K466-G490 VanDerWaalsContact CA-O 3.26Å; K466-G490 WeakPolarHBondContact CA-O 3.3Å; K466-G490 PolarHBondContact N-O 2.91Å; F486-G490 PolarHBondContact O-N 3.45Å; S487-G490 PolarHBondContact O-N 3.46Å; L488-G490 PolarHBondContact O-N 3.08Å; G490-G492 PolarHBondContact O-N 2.92Å; G490-A493 WeakPolarHBondContact O-CB 3.31Å; G490-A493 PolarHBondContact O-N 2.95Å
491	V	98.7	Very high	98.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	123.9	177.3	177.2	0	0	0	0	109.3	L465 L468 F486 M489 A493 V499 F542 L911	L465-V491 HydrophobicContact CD2-CG2 4.17Å; L465-V491 WeakPolarHBondContact O-CA 3.41Å; L468-V491 HydrophobicContact CB-CG1 4.21Å; L468-V491 HydrophobicContact CD1-CG1 4.21Å; F486-V491 HydrophobicContact CB-CB 4.03Å; F486-V491 HydrophobicContact CB-CG2 4.3Å; F486-V491 HydrophobicContact CD1-CG2 4.47Å; F486-V491 HydrophobicContact CD2-CB 3.89Å; F486-V491 HydrophobicContact CD2-CG1 3.63Å; F486-V491 HydrophobicContact CD2-CG2 4.25Å; F486-V491 HydrophobicContact CE2-CG1 3.99Å; F486-V491 HydrophobicContact CG-CB 4.03Å; F486-V491 HydrophobicContact CG-CG1 4.28Å; F486-V491 HydrophobicContact CG-CG2 4.09Å; F486-V491 PolarHBondContact O-N 2.97Å; M489-V491 HydrophobicContact CB-CG2 4.01Å; M489-V491 HydrophobicContact CE-CG2 4.25Å; V491-A493 PolarHBondContact O-N 3.11Å; V491-A493 VanDerWaalsContact O-N 3.14Å; V491-V499 HydrophobicContact CG1-CG2 4.11Å; V491-F542 VanDerWaalsContact O-CD2 3.32Å; V491-F542 WeakPolarHBondContact O-CD2 3.14Å; V491-F542 WeakPolarHBondContact O-CE2 3.47Å; V491-L911 HydrophobicContact CG2-CD2 3.99Å
492	G	98.4	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	10.2	179.2	0	0	0	0	0	115.1	L465 K466 L468 G490 G494 G497 N543	L465-G492 PolarHBondContact O-N 2.76Å; K466-G492 CarbonylContact O-C 3.49Å; K466-G492 VanDerWaalsContact O-C 3.22Å; K466-G492 VanDerWaalsContact O-CA 3.26Å; K466-G492 WeakPolarHBondContact O-CA 3.32Å; L468-G492 VanDerWaalsContact O-CA 3.23Å; L468-G492 WeakPolarHBondContact O-CA 3.19Å; G490-G492 PolarHBondContact O-N 2.92Å; G492-G494 PolarHBondContact O-N 2.82Å; G492-G497 CarbonylContact O-C 3.43Å; G492-G497 VanDerWaalsContact O-C 3.31Å; G492-N543 VanDerWaalsContact O-CB 3.27Å; G492-N543 WeakPolarHBondContact O-CB 3.25Å
493	A	97.8	Very high	98.1	Very high	12 Å²	12	15.5 Å²	15.5	10%	0.099	10%	0.098	C	C	.	.			trans	-77.8	-0.8	-178.9	0	0	0	0	0	114.2	K466 G490 V491 E541	K466-A493 HydrophobicContact CG-CB 4.35Å; K466-A493 PolarHBondContact O-N 3.38Å; G490-A493 WeakPolarHBondContact O-CB 3.31Å; G490-A493 PolarHBondContact O-N 2.95Å; V491-A493 PolarHBondContact O-N 3.11Å; V491-A493 VanDerWaalsContact O-N 3.14Å; A493-E541 VanDerWaalsContact CA-O 3.23Å; A493-E541 WeakPolarHBondContact CA-O 3.33Å; A493-E541 HydrophobicContact CB-CB 3.99Å; A493-E541 WeakPolarHBondContact CB-O 3.44Å
494	G	96.2	Very high	97.9	Very high	7 Å²	7	19.3 Å²	19.3	7%	0.072	12%	0.117	C	C	.	.	S	Bend	trans	-88.3	166.7	175.7	0	0	0	0	0	112.9	K466 G492 S496 G497	K466-G494 VanDerWaalsContact O-CA 3.27Å; K466-G494 WeakPolarHBondContact O-CA 3.4Å; K466-G494 PolarHBondContact O-N 2.95Å; G492-G494 PolarHBondContact O-N 2.82Å; G494-S496 PolarHBondContact O-N 3.06Å; G494-G497 PolarHBondContact O-N 2.85Å
495	P	94.8	Very high	97.8	Very high	139 Å²	139	21.7 Å²	21.7	90%	0.903	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.1	-176.3	25	-34.5	0	0	0	114.1
496	S	95.4	Very high	97.6	Very high	77 Å²	77	25.5 Å²	25.5	54%	0.538	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-10.7	175	62	0	0	0	0	113.7	K469 G494	K469-S496 WeakPolarHBondContact CE-O 3.34Å; G494-S496 PolarHBondContact O-N 3.06Å
497	G	98.4	Very high	97.5	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.021	15%	0.15	C	C	.	.			trans	-84.8	157.3	-177.6	0	0	0	0	0	112.1	K466 G467 L468 G492 G494 N543	K466-G497 WeakPolarHBondContact O-CA 3.42Å; G467-G497 WeakPolarHBondContact O-CA 3.29Å; L468-G497 CarbonylContact O-C 3.44Å; L468-G497 WeakPolarHBondContact O-CA 3.36Å; G492-G497 CarbonylContact O-C 3.43Å; G492-G497 VanDerWaalsContact O-C 3.31Å; G494-G497 PolarHBondContact O-N 2.85Å; G497-N543 PolarHBondContact O-ND2 3.44Å
498	K	98.6	Very high	97.3	Very high	60 Å²	60	28.1 Å²	28.1	26%	0.261	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	133.5	-179.8	-173.1	74.5	176.8	-161.4	0	110.6	L468 K469 Y470 V500 N543 E545	L468-K498 PolarHBondContact O-N 2.71Å; K469-K498 CarbonylContact C-O 3.31Å; K469-K498 WeakPolarHBondContact CA-O 3.43Å; K469-K498 HydrophobicContact CG-CB 4.28Å; Y470-K498 PolarHBondContact N-O 3.43Å; K498-V500 HydrophobicContact CG-CG2 4.1Å; K498-N543 WeakPolarHBondContact CA-O 3.41Å; K498-E545 WeakPolarHBondContact CE-OE2 3.36Å; K498-E545 IonicContact NZ-OE2 2.68Å; K498-E545 PolarHBondContact NZ-OE2 3.44Å
499	V	98.9	Very high	97	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.1	163	178.6	0	0	0	0	108.6	Y470 I472 F486 V491 F542 N543 I544 E545	Y470-V499 WeakPolarHBondContact O-CA 3.19Å; I472-V499 HydrophobicContact CD1-CG1 3.81Å; I472-V499 HydrophobicContact CG1-CG1 4.16Å; F486-V499 HydrophobicContact CD2-CG2 4.21Å; V491-V499 HydrophobicContact CG1-CG2 4.11Å; V499-F542 HydrophobicContact CB-CE2 4.04Å; V499-F542 HydrophobicContact CB-CZ 4.01Å; V499-F542 HydrophobicContact CG1-CZ 4.15Å; V499-F542 HydrophobicContact CG2-CE2 3.57Å; V499-F542 HydrophobicContact CG2-CZ 3.94Å; V499-N543 PolarHBondContact N-O 2.94Å; V499-I544 HydrophobicContact CB-CB 4.4Å; V499-I544 HydrophobicContact CB-CG1 4.34Å; V499-I544 HydrophobicContact CG1-CD1 4.15Å; V499-I544 HydrophobicContact CG1-CG1 4.3Å; V499-I544 CarbonylContact O-C 3.58Å; V499-I544 VanDerWaalsContact O-CA 3.25Å; V499-I544 WeakPolarHBondContact O-CA 3.49Å; V499-E545 PolarHBondContact O-N 3.38Å
500	V	98.9	Very high	96.7	Very high	10 Å²	10	34 Å²	34	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.1	168.8	-178.4	0	0	0	0	106.7	Y470 F471 I472 K498 E545 F563	Y470-V500 PolarHBondContact O-N 3.4Å; F471-V500 CarbonylContact C-O 3.53Å; F471-V500 WeakPolarHBondContact CA-O 3.3Å; F471-V500 HydrophobicContact CD2-CB 4.02Å; F471-V500 HydrophobicContact CD2-CG1 3.98Å; F471-V500 WeakPolarHBondContact CD2-O 3.44Å; F471-V500 HydrophobicContact CE2-CG1 4.09Å; I472-V500 PolarHBondContact N-O 2.94Å; K498-V500 HydrophobicContact CG-CG2 4.1Å; V500-E545 WeakPolarHBondContact CA-O 3.28Å; V500-F563 HydrophobicContact CB-CE2 4.4Å; V500-F563 HydrophobicContact CB-CZ 4.3Å; V500-F563 HydrophobicContact CG1-CE2 4.22Å; V500-F563 HydrophobicContact CG1-CZ 4.19Å; V500-F563 HydrophobicContact CG2-CE2 4.17Å
501	V	98.9	Very high	96.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.2	171.2	63.3	0	0	0	0	109.1	I472 L483 S532 I544 E545 A546 H547	I472-V501 HydrophobicContact CB-CB 4.26Å; I472-V501 HydrophobicContact CB-CG2 4.1Å; I472-V501 HydrophobicContact CG2-CG2 4.09Å; I472-V501 WeakPolarHBondContact O-CA 3.46Å; L483-V501 HydrophobicContact CD1-CG2 4.37Å; L483-V501 HydrophobicContact CD2-CB 4.5Å; V501-S532 WeakPolarHBondContact CG1-OG 3.37Å; V501-I544 HydrophobicContact CB-CD1 4.34Å; V501-I544 HydrophobicContact CG1-CD1 3.78Å; V501-I544 HydrophobicContact CG1-CG1 4.17Å; V501-E545 PolarHBondContact N-O 2.87Å; V501-A546 HydrophobicContact CG1-CB 4.43Å; V501-A546 CarbonylContact O-C 3.11Å; V501-A546 WeakPolarHBondContact O-CA 3.43Å; V501-H547 PolarHBondContact O-N 3.25Å
502	T	98.8	Very high	96.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.2	173.7	-163.5	0	0	0	0	111.9	F471 I472 V473 G474 H547 N549 V551 Y559	F471-T502 HydrophobicContact CE2-CG2 3.56Å; F471-T502 HydrophobicContact CZ-CG2 3.52Å; I472-T502 PolarHBondContact O-N 2.65Å; I472-T502 VanDerWaalsContact O-N 3.07Å; V473-T502 HydrophobicContact CG1-CG2 4.37Å; G474-T502 WeakPolarHBondContact CA-O 3.32Å; G474-T502 PolarHBondContact N-O 2.76Å; T502-H547 WeakPolarHBondContact CA-O 3.44Å; T502-H547 WeakPolarHBondContact OG1-CB 3.37Å; T502-N549 PolarHBondContact OG1-N 3.33Å; T502-N549 VanDerWaalsContact OG1-N 3.15Å; T502-N549 PolarHBondContact OG1-O 3.29Å; T502-V551 HydrophobicContact CG2-CG2 3.34Å; T502-Y559 WeakPolarHBondContact CB-OH 3.32Å; T502-Y559 PolarHBondContact OG1-OH 3.33Å
503	D	98.3	Very high	96.4	Very high	12 Å²	12	35 Å²	35	6%	0.064	19%	0.189	C	C	.	.			trans	-159.8	133.9	172.4	-163.3	-40.7	0	0	0	107.8	S475 G476 D505 K527 H547 E548	S475-D503 WeakPolarHBondContact CA-OD2 3.29Å; S475-D503 PolarHBondContact N-OD2 2.96Å; G476-D503 PolarHBondContact N-OD2 2.72Å; D503-D505 VanDerWaalsContact OD1-CB 3.31Å; D503-D505 WeakPolarHBondContact OD1-CB 3.48Å; D503-D505 PolarHBondContact OD1-N 2.86Å; D503-K527 HydrophobicContact CB-CB 4.34Å; D503-H547 PolarHBondContact N-O 3.35Å; D503-E548 CarbonylContact O-C 3.56Å; D503-E548 VanDerWaalsContact O-CA 3.31Å; D503-E548 WeakPolarHBondContact O-CA 3.38Å
504	M	95.4	Very high	96.4	Very high	81 Å²	81	35.5 Å²	35.5	40%	0.399	19%	0.189	S	C	.	.			trans	-87.9	-11.2	179.5	67.5	-75.4	174.1	0	0	113.2	R550	M504-R550 HydrophobicContact CB-CB 4.3Å; M504-R550 HydrophobicContact CG-CB 4.21Å; M504-R550 HydrophobicContact SD-CB 4.15Å; M504-R550 HydrophobicContact SD-CG 4.24Å
505	D	95.3	Very high	96.5	Very high	51 Å²	51	35.4 Å²	35.4	27%	0.273	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-84.9	150.1	-170.7	-69.9	-13.5	0	0	0	113	D503 K527	D503-D505 VanDerWaalsContact OD1-CB 3.31Å; D503-D505 WeakPolarHBondContact OD1-CB 3.48Å; D503-D505 PolarHBondContact OD1-N 2.86Å; D505-K527 HydrophobicContact CB-CD 3.82Å; D505-K527 HydrophobicContact CB-CG 4.42Å; D505-K527 WeakPolarHBondContact O-CG 3.36Å; D505-K527 PolarHBondContact O-N 2.94Å; D505-K527 IonicContact OD2-NZ 2.76Å; D505-K527 PolarHBondContact OD2-NZ 3.1Å
506	L	95.7	Very high	96.6	Very high	80 Å²	80	29 Å²	29	42%	0.419	14%	0.144	S	C	.	.	B	Isolated β-bridge	trans	-83.1	155	165.8	-59.9	175.9	0	0	0	111.2	E508 K525 M526 K527	L506-E508 PolarHBondContact O-N 2.88Å; L506-K525 CarbonylContact C-O 3.56Å; L506-K525 WeakPolarHBondContact CA-O 3.26Å; L506-M526 HydrophobicContact CD2-CE 4.18Å; L506-M526 HydrophobicContact CD2-CG 4.15Å; L506-M526 HydrophobicContact CD2-SD 3.59Å; L506-M526 VanDerWaalsContact CD2-SD 3.59Å; L506-M526 HydrophobicContact CG-SD 4.48Å; L506-K527 VanDerWaalsContact O-CE 3.29Å; L506-K527 WeakPolarHBondContact O-CE 3.27Å
507	I	96.7	Very high	96.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-74.3	124.9	173.9	-63.5	162.5	0	0	0	109.5	L512 F518 D522 I523 H524 K525 K527 V530	I507-L512 HydrophobicContact CG2-CD2 4.2Å; I507-F518 HydrophobicContact CD1-CB 4.22Å; I507-F518 HydrophobicContact CD1-CD1 3.53Å; I507-F518 HydrophobicContact CD1-CD2 4.1Å; I507-F518 HydrophobicContact CD1-CE1 3.86Å; I507-F518 HydrophobicContact CD1-CE2 4.39Å; I507-F518 HydrophobicContact CD1-CG 3.68Å; I507-F518 HydrophobicContact CD1-CZ 4.3Å; I507-F518 HydrophobicContact CG1-CD1 4.17Å; I507-F518 HydrophobicContact CG1-CD2 3.85Å; I507-F518 HydrophobicContact CG1-CE1 4.29Å; I507-F518 HydrophobicContact CG1-CE2 3.99Å; I507-F518 HydrophobicContact CG1-CG 3.97Å; I507-F518 HydrophobicContact CG1-CZ 4.23Å; I507-F518 HydrophobicContact CG2-CB 4.11Å; I507-F518 HydrophobicContact CG2-CD2 4.1Å; I507-F518 HydrophobicContact CG2-CG 4.21Å; I507-D522 HydrophobicContact CD1-CB 3.82Å; I507-I523 WeakPolarHBondContact O-CA 3.42Å; I507-H524 PolarHBondContact O-N 3.03Å; I507-K525 WeakPolarHBondContact CG1-O 3.42Å; I507-K525 PolarHBondContact N-O 3.14Å; I507-K527 HydrophobicContact CG1-CB 4.42Å; I507-K527 HydrophobicContact CG1-CG 3.75Å; I507-V530 HydrophobicContact CD1-CB 3.77Å; I507-V530 HydrophobicContact CD1-CG1 4.02Å; I507-V530 HydrophobicContact CD1-CG2 3.72Å
508	E	92.5	Very high	96.8	Very high	53 Å²	53	26.1 Å²	26.1	25%	0.248	12%	0.122	C	C	.	.			trans	-104	164.4	172.6	-64.4	168.3	-163	0	0	112	L506 S510 N511	L506-E508 PolarHBondContact O-N 2.88Å; E508-S510 VanDerWaalsContact C-N 3.33Å; E508-S510 PolarHBondContact O-N 2.91Å; E508-S510 PolarHBondContact OE2-OG 3.48Å; E508-S510 VanDerWaalsContact OE2-OG 3.11Å; E508-N511 PolarHBondContact N-OD1 2.99Å; E508-N511 VanDerWaalsContact O-CB 3.25Å; E508-N511 WeakPolarHBondContact O-CB 3.35Å; E508-N511 PolarHBondContact O-N 3.14Å
509	R	93.3	Very high	96.7	Very high	123 Å²	123	24.4 Å²	24.4	46%	0.464	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-61.1	-40.4	174.9	-173.3	171.9	178.9	129.3	-3.4	113	D45 S47 N511 L512 I523	D45-R509 IonicContact OD1-NH2 2.82Å; D45-R509 IonicContact OD2-CZ 3.21Å; D45-R509 IonicContact OD2-NE 3.15Å; D45-R509 IonicContact OD2-NH2 3.43Å; D45-R509 PolarHBondContact OD2-NH2 3.45Å; S47-R509 VanDerWaalsContact OG-CD 3.25Å; S47-R509 WeakPolarHBondContact OG-CD 3.41Å; S47-R509 PolarHBondContact OG-NE 3.33Å; R509-N511 PolarHBondContact O-N 3.26Å; R509-N511 VanDerWaalsContact O-N 3.1Å; R509-L512 PolarHBondContact O-N 3.14Å; R509-I523 HydrophobicContact CB-CD1 4.13Å
510	S	92.7	Very high	96.5	Very high	4 Å²	4	27 Å²	27	3%	0.028	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-61.6	-18.3	179.4	77.6	0	0	0	0	113.5	S47 E508 R514	S47-S510 WeakPolarHBondContact O-CA 3.43Å; S47-S510 PolarHBondContact O-N 3.19Å; E508-S510 VanDerWaalsContact C-N 3.33Å; E508-S510 PolarHBondContact O-N 2.91Å; E508-S510 PolarHBondContact OE2-OG 3.48Å; E508-S510 VanDerWaalsContact OE2-OG 3.11Å; S510-R514 PolarHBondContact O-NH1 2.83Å
511	N	95.1	Very high	96.4	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.027	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-78.2	-32.8	-177.2	-65.4	174.8	0	0	0	111.8	E508 R509 N513 R514 Q515 K527	E508-N511 PolarHBondContact N-OD1 2.99Å; E508-N511 VanDerWaalsContact O-CB 3.25Å; E508-N511 WeakPolarHBondContact O-CB 3.35Å; E508-N511 PolarHBondContact O-N 3.14Å; R509-N511 PolarHBondContact O-N 3.26Å; R509-N511 VanDerWaalsContact O-N 3.1Å; N511-N513 PolarHBondContact O-N 2.84Å; N511-N513 VanDerWaalsContact O-N 3.1Å; N511-R514 PolarHBondContact O-N 3.05Å; N511-Q515 HydrophobicContact CB-CB 4.47Å; N511-Q515 HydrophobicContact CB-CG 4.45Å; N511-Q515 VanDerWaalsContact CB-OE1 3.28Å; N511-Q515 WeakPolarHBondContact O-CB 2.8Å; N511-Q515 PolarHBondContact O-N 2.94Å; N511-K527 VanDerWaalsContact OD1-CE 3.23Å; N511-K527 WeakPolarHBondContact OD1-CE 3.33Å
512	L	97	Very high	96.4	Very high	13 Å²	13	34.5 Å²	34.5	7%	0.068	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.8	-170.1	-56.3	-179.8	0	0	0	113.5	L48 L87 I507 R509 R514 F518 P520 I523	L48-L512 HydrophobicContact CD1-CB 3.83Å; L87-L512 WeakPolarHBondContact CD2-O 3.21Å; I507-L512 HydrophobicContact CG2-CD2 4.2Å; R509-L512 PolarHBondContact O-N 3.14Å; L512-R514 PolarHBondContact O-N 2.87Å; L512-F518 HydrophobicContact CD2-CB 3.62Å; L512-P520 HydrophobicContact CD1-CB 4.35Å; L512-P520 HydrophobicContact CD1-CG 4.08Å; L512-I523 HydrophobicContact CD1-CD1 4.35Å
513	N	96.2	Very high	96.2	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.9	176.7	164.6	-103.2	0	0	0	114	L48 Q52 L87 N511	L48-N513 HydrophobicContact CD1-CB 4.38Å; L48-N513 WeakPolarHBondContact O-CB 3.31Å; Q52-N513 PolarHBondContact OE1-ND2 3.14Å; L87-N513 WeakPolarHBondContact CB-O 3.43Å; L87-N513 PolarHBondContact O-ND2 3.36Å; N511-N513 PolarHBondContact O-N 2.84Å; N511-N513 VanDerWaalsContact O-N 3.1Å
514	R	97.2	Very high	96	Very high	22 Å²	22	43.3 Å²	43.3	8%	0.083	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.5	-9.5	179.7	66.9	-169	172.6	-66.4	-8.7	115.3	R51 A477 S510 N511 L512 A897	R51-R514 VanDerWaalsContact CG-NH1 3.29Å; A477-R514 HydrophobicContact CB-CG 3.84Å; S510-R514 PolarHBondContact O-NH1 2.83Å; N511-R514 PolarHBondContact O-N 3.05Å; L512-R514 PolarHBondContact O-N 2.87Å; R514-A897 HydrophobicContact CB-CB 4.16Å
515	Q	98	Very high	96.2	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.028	20%	0.201	C	C	.	.			trans	-105.5	70.9	179.3	-66.3	170.4	24.2	0	0	109.1	A477 N511 L517 F518	A477-Q515 HydrophobicContact CB-CG 4.21Å; N511-Q515 HydrophobicContact CB-CB 4.47Å; N511-Q515 HydrophobicContact CB-CG 4.45Å; N511-Q515 VanDerWaalsContact CB-OE1 3.28Å; N511-Q515 WeakPolarHBondContact O-CB 2.8Å; N511-Q515 PolarHBondContact O-N 2.94Å; Q515-L517 PolarHBondContact O-N 2.98Å; Q515-F518 HydrophobicContact CB-CD2 3.45Å; Q515-F518 VanDerWaalsContact CB-CD2 3.45Å; Q515-F518 HydrophobicContact CB-CE2 3.68Å; Q515-F518 HydrophobicContact CB-CG 4.41Å; Q515-F518 HydrophobicContact CG-CD2 4.41Å; Q515-F518 HydrophobicContact CG-CE2 4.26Å; Q515-F518 WeakPolarHBondContact O-CB 3.49Å; Q515-F518 PolarHBondContact O-N 3.02Å
516	F	98.1	Very high	96.3	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-11	-164.6	88.7	-81.7	0	0	0	115	K83 L87 Y110 F111 L132 E481 K484 F518 R519	K83-F516 HydrophobicContact CD-CB 4.22Å; K83-F516 HydrophobicContact CD-CD1 3.98Å; K83-F516 HydrophobicContact CD-CD2 3.88Å; K83-F516 HydrophobicContact CD-CE1 4.35Å; K83-F516 HydrophobicContact CD-CE2 4.25Å; K83-F516 HydrophobicContact CD-CG 3.75Å; K83-F516 HydrophobicContact CD-CZ 4.48Å; K83-F516 HydrophobicContact CG-CB 4.43Å; K83-F516 HydrophobicContact CG-CD2 4.35Å; K83-F516 HydrophobicContact CG-CG 4.35Å; L87-F516 HydrophobicContact CD1-CB 3.82Å; L87-F516 HydrophobicContact CD2-CB 4.47Å; Y110-F516 HydrophobicContact CD2-CE2 4.15Å; Y110-F516 HydrophobicContact CE2-CE2 4.05Å; F111-F516 HydrophobicContact CE1-CE2 4.35Å; F111-F516 HydrophobicContact CZ-CD2 4.47Å; F111-F516 HydrophobicContact CZ-CE2 4.49Å; L132-F516 HydrophobicContact CD2-CB 4.08Å; L132-F516 HydrophobicContact CD2-CD2 4.31Å; E481-F516 WeakPolarHBondContact OE1-CD1 3.3Å; K484-F516 HydrophobicContact CB-CE1 4.04Å; K484-F516 HydrophobicContact CB-CZ 3.88Å; K484-F516 HydrophobicContact CD-CE1 3.92Å; K484-F516 HydrophobicContact CD-CZ 3.65Å; K484-F516 HydrophobicContact CG-CE1 4.31Å; K484-F516 HydrophobicContact CG-CZ 3.82Å; F516-F518 PolarHBondContact O-N 3.37Å; F516-R519 PolarHBondContact O-NH1 2.93Å
517	L	98.5	Very high	96.4	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.068	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.9	173.2	-63.8	-175.5	0	0	0	112.3	C480 L483 Q515 A531 A534 I538	C480-L517 HydrophobicContact CB-CB 4.45Å; C480-L517 HydrophobicContact CB-CD1 3.98Å; C480-L517 HydrophobicContact CB-CG 3.99Å; L483-L517 HydrophobicContact CB-CD1 4.13Å; L483-L517 HydrophobicContact CD1-CD1 4.48Å; Q515-L517 PolarHBondContact O-N 2.98Å; L517-A531 HydrophobicContact CD1-CB 4.09Å; L517-A534 HydrophobicContact CB-CB 3.98Å; L517-A534 HydrophobicContact CD2-CB 4.08Å; L517-A534 HydrophobicContact CG-CB 4.44Å; L517-I538 HydrophobicContact CD2-CD1 4.11Å
518	F	98.3	Very high	96.5	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.026	18%	0.182	C	C	.	.			trans	-98	157.1	-179	-52.5	-32.4	0	0	0	112	I507 L512 Q515 F516 K527 V530 A531	I507-F518 HydrophobicContact CD1-CB 4.22Å; I507-F518 HydrophobicContact CD1-CD1 3.53Å; I507-F518 HydrophobicContact CD1-CD2 4.1Å; I507-F518 HydrophobicContact CD1-CE1 3.86Å; I507-F518 HydrophobicContact CD1-CE2 4.39Å; I507-F518 HydrophobicContact CD1-CG 3.68Å; I507-F518 HydrophobicContact CD1-CZ 4.3Å; I507-F518 HydrophobicContact CG1-CD1 4.17Å; I507-F518 HydrophobicContact CG1-CD2 3.85Å; I507-F518 HydrophobicContact CG1-CE1 4.29Å; I507-F518 HydrophobicContact CG1-CE2 3.99Å; I507-F518 HydrophobicContact CG1-CG 3.97Å; I507-F518 HydrophobicContact CG1-CZ 4.23Å; I507-F518 HydrophobicContact CG2-CB 4.11Å; I507-F518 HydrophobicContact CG2-CD2 4.1Å; I507-F518 HydrophobicContact CG2-CG 4.21Å; L512-F518 HydrophobicContact CD2-CB 3.62Å; Q515-F518 HydrophobicContact CB-CD2 3.45Å; Q515-F518 VanDerWaalsContact CB-CD2 3.45Å; Q515-F518 HydrophobicContact CB-CE2 3.68Å; Q515-F518 HydrophobicContact CB-CG 4.41Å; Q515-F518 HydrophobicContact CG-CD2 4.41Å; Q515-F518 HydrophobicContact CG-CE2 4.26Å; Q515-F518 WeakPolarHBondContact O-CB 3.49Å; Q515-F518 PolarHBondContact O-N 3.02Å; F516-F518 PolarHBondContact O-N 3.37Å; F518-K527 WeakPolarHBondContact CE1-O 3.32Å; F518-K527 HydrophobicContact CE2-CB 4.22Å; F518-K527 HydrophobicContact CE2-CD 4.43Å; F518-K527 HydrophobicContact CE2-CG 3.93Å; F518-K527 HydrophobicContact CZ-CB 3.79Å; F518-K527 HydrophobicContact CZ-CG 4.01Å; F518-V530 HydrophobicContact CD1-CB 4.1Å; F518-V530 HydrophobicContact CD1-CG1 3.7Å; F518-V530 HydrophobicContact CE1-CB 4.07Å; F518-V530 HydrophobicContact CE1-CG1 4.14Å; F518-A531 HydrophobicContact CE1-CB 3.71Å; F518-A531 HydrophobicContact CZ-CB 4.04Å
519	R	97.3	Very high	96.8	Very high	25 Å²	25	40.6 Å²	40.6	9%	0.094	19%	0.186	C	C	.	.			trans	-129.2	164.3	177.5	-64.3	-73.7	179.5	-80.1	2.9	111.1	E131 F516 W521 D522	E131-R519 IonicContact OE2-CZ 2.77Å; E131-R519 IonicContact OE2-NE 3.67Å; E131-R519 PolarHBondContact OE2-NE 3.31Å; E131-R519 VanDerWaalsContact OE2-NE 3.11Å; E131-R519 IonicContact OE2-NH2 3.85Å; F516-R519 PolarHBondContact O-NH1 2.93Å; R519-W521 HydrophobicContact CB-CD2 3.68Å; R519-W521 HydrophobicContact CB-CE3 4.24Å; R519-W521 HydrophobicContact CB-CG 4.12Å; R519-W521 HydrophobicContact CB-CH2 4.1Å; R519-W521 HydrophobicContact CB-CZ2 3.52Å; R519-W521 HydrophobicContact CB-CZ3 4.42Å; R519-W521 HydrophobicContact CG-CD2 4.48Å; R519-W521 HydrophobicContact CG-CH2 4.06Å; R519-W521 HydrophobicContact CG-CZ2 3.38Å; R519-W521 PolarHBondContact O-N 2.85Å; R519-D522 WeakPolarHBondContact CB-OD2 3.4Å; R519-D522 PolarHBondContact N-OD2 3.08Å; R519-D522 VanDerWaalsContact N-OD2 3.14Å; R519-D522 WeakPolarHBondContact O-CB 3.12Å; R519-D522 PolarHBondContact O-N 3.44Å
520	P	95.5	Very high	97.1	Very high	54 Å²	54	35.5 Å²	35.5	35%	0.351	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-55.1	-27.2	176.4	-27.8	35.9	0	0	0	114.8	L512 D522 I523	L512-P520 HydrophobicContact CD1-CB 4.35Å; L512-P520 HydrophobicContact CD1-CG 4.08Å; P520-D522 VanDerWaalsContact C-N 3.3Å; P520-I523 WeakPolarHBondContact O-CD1 3.5Å; P520-I523 WeakPolarHBondContact O-CG1 3.38Å
521	W	96.6	Very high	97.4	Very high	152 Å²	152	35.3 Å²	35.3	58%	0.576	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-84.9	2	177	52.7	73.2	0	0	0	114.4	E131 R519 K525	E131-W521 HydrophobicContact CB-CH2 4.5Å; E131-W521 HydrophobicContact CG-CH2 4.15Å; R519-W521 HydrophobicContact CB-CD2 3.68Å; R519-W521 HydrophobicContact CB-CE3 4.24Å; R519-W521 HydrophobicContact CB-CG 4.12Å; R519-W521 HydrophobicContact CB-CH2 4.1Å; R519-W521 HydrophobicContact CB-CZ2 3.52Å; R519-W521 HydrophobicContact CB-CZ3 4.42Å; R519-W521 HydrophobicContact CG-CD2 4.48Å; R519-W521 HydrophobicContact CG-CH2 4.06Å; R519-W521 HydrophobicContact CG-CZ2 3.38Å; R519-W521 PolarHBondContact O-N 2.85Å; W521-K525 WeakPolarHBondContact O-CE 3.5Å; W521-K525 PolarHBondContact O-NZ 2.77Å; W521-K525 VanDerWaalsContact O-NZ 3.07Å
522	D	97.8	Very high	97.5	Very high	16 Å²	16	35.4 Å²	35.4	9%	0.086	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-103	-3.3	176.7	-60.9	-43.1	0	0	0	113.4	I507 R519 P520 H524 K525 V530	I507-D522 HydrophobicContact CD1-CB 3.82Å; R519-D522 WeakPolarHBondContact CB-OD2 3.4Å; R519-D522 PolarHBondContact N-OD2 3.08Å; R519-D522 VanDerWaalsContact N-OD2 3.14Å; R519-D522 WeakPolarHBondContact O-CB 3.12Å; R519-D522 PolarHBondContact O-N 3.44Å; P520-D522 VanDerWaalsContact C-N 3.3Å; D522-H524 PolarHBondContact O-N 3.37Å; D522-K525 HydrophobicContact CB-CD 4.32Å; D522-K525 VanDerWaalsContact O-CB 3.28Å; D522-K525 WeakPolarHBondContact O-CB 3.47Å; D522-K525 WeakPolarHBondContact O-CG 3.47Å; D522-K525 PolarHBondContact O-N 3.08Å; D522-K525 IonicContact OD1-NZ 3.56Å; D522-K525 PolarHBondContact OD1-NZ 3.41Å; D522-V530 HydrophobicContact CB-CG1 4.02Å; D522-V530 HydrophobicContact CB-CG2 4.36Å
523	I	95.2	Very high	97.6	Very high	44 Å²	44	38.9 Å²	38.9	23%	0.226	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	138.3	174.3	-60.1	175.3	0	0	0	109.6	I507 R509 L512 P520 K525	I507-I523 WeakPolarHBondContact O-CA 3.42Å; R509-I523 HydrophobicContact CB-CD1 4.13Å; L512-I523 HydrophobicContact CD1-CD1 4.35Å; P520-I523 WeakPolarHBondContact O-CD1 3.5Å; P520-I523 WeakPolarHBondContact O-CG1 3.38Å; I523-K525 VanDerWaalsContact C-N 3.29Å; I523-K525 PolarHBondContact O-N 3.3Å
524	H	94.4	Very high	97.7	Very high	154 Å²	154	39.9 Å²	39.9	71%	0.713	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	11.4	-173.7	-47.2	-67.7	0	0	0	116.2	I507 D522	I507-H524 PolarHBondContact O-N 3.03Å; D522-H524 PolarHBondContact O-N 3.37Å
525	K	98	Very high	97.7	Very high	93 Å²	93	38.9 Å²	38.9	40%	0.404	20%	0.195	S	C	.	.	S	Bend	trans	-99.5	159.5	166.6	-55.9	178.7	-165.9	161.6	0	110.5	L506 I507 W521 D522 I523 V530	L506-K525 CarbonylContact C-O 3.56Å; L506-K525 WeakPolarHBondContact CA-O 3.26Å; I507-K525 WeakPolarHBondContact CG1-O 3.42Å; I507-K525 PolarHBondContact N-O 3.14Å; W521-K525 WeakPolarHBondContact O-CE 3.5Å; W521-K525 PolarHBondContact O-NZ 2.77Å; W521-K525 VanDerWaalsContact O-NZ 3.07Å; D522-K525 HydrophobicContact CB-CD 4.32Å; D522-K525 VanDerWaalsContact O-CB 3.28Å; D522-K525 WeakPolarHBondContact O-CB 3.47Å; D522-K525 WeakPolarHBondContact O-CG 3.47Å; D522-K525 PolarHBondContact O-N 3.08Å; D522-K525 IonicContact OD1-NZ 3.56Å; D522-K525 PolarHBondContact OD1-NZ 3.41Å; I523-K525 VanDerWaalsContact C-N 3.29Å; I523-K525 PolarHBondContact O-N 3.3Å; K525-V530 HydrophobicContact CB-CG2 3.7Å; K525-V530 HydrophobicContact CD-CG2 3.98Å
526	M	98.1	Very high	97.7	Very high	51 Å²	51	43 Å²	43	25%	0.251	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-65.6	131.2	177.2	-67.7	-66	-167.4	0	0	112	L506 S528 V529 V530 E548	L506-M526 HydrophobicContact CD2-CE 4.18Å; L506-M526 HydrophobicContact CD2-CG 4.15Å; L506-M526 HydrophobicContact CD2-SD 3.59Å; L506-M526 VanDerWaalsContact CD2-SD 3.59Å; L506-M526 HydrophobicContact CG-SD 4.48Å; M526-S528 PolarHBondContact O-N 2.82Å; M526-V529 HydrophobicContact CB-CB 4.25Å; M526-V529 HydrophobicContact CB-CG2 3.99Å; M526-V529 PolarHBondContact O-N 2.79Å; M526-V530 WeakPolarHBondContact O-CG2 3.26Å; M526-V530 PolarHBondContact O-N 3.4Å; M526-E548 HydrophobicContact CB-CG 4.18Å; M526-E548 HydrophobicContact CE-CB 4.32Å; M526-E548 HydrophobicContact CG-CG 3.9Å; M526-E548 HydrophobicContact SD-CB 4.48Å; M526-E548 HydrophobicContact SD-CG 4.41Å
527	K	98.6	Very high	97.6	Very high	12 Å²	12	47.4 Å²	47.4	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-56.8	-51.1	-179.1	-71.8	-180	-169.9	158.6	0	111.8	D503 D505 L506 I507 N511 F518 V529 V530 A531	D503-K527 HydrophobicContact CB-CB 4.34Å; D505-K527 HydrophobicContact CB-CD 3.82Å; D505-K527 HydrophobicContact CB-CG 4.42Å; D505-K527 WeakPolarHBondContact O-CG 3.36Å; D505-K527 PolarHBondContact O-N 2.94Å; D505-K527 IonicContact OD2-NZ 2.76Å; D505-K527 PolarHBondContact OD2-NZ 3.1Å; L506-K527 VanDerWaalsContact O-CE 3.29Å; L506-K527 WeakPolarHBondContact O-CE 3.27Å; I507-K527 HydrophobicContact CG1-CB 4.42Å; I507-K527 HydrophobicContact CG1-CG 3.75Å; N511-K527 VanDerWaalsContact OD1-CE 3.23Å; N511-K527 WeakPolarHBondContact OD1-CE 3.33Å; F518-K527 WeakPolarHBondContact CE1-O 3.32Å; F518-K527 HydrophobicContact CE2-CB 4.22Å; F518-K527 HydrophobicContact CE2-CD 4.43Å; F518-K527 HydrophobicContact CE2-CG 3.93Å; F518-K527 HydrophobicContact CZ-CB 3.79Å; F518-K527 HydrophobicContact CZ-CG 4.01Å; K527-V529 VanDerWaalsContact C-N 3.34Å; K527-V529 PolarHBondContact O-N 2.86Å; K527-V530 PolarHBondContact O-N 2.89Å; K527-A531 WeakPolarHBondContact O-CB 3.41Å; K527-A531 PolarHBondContact O-N 3.45Å
528	S	98.6	Very high	97.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-41.4	-176.3	59	0	0	0	0	113.2	M526 S532 A546 H547	M526-S528 PolarHBondContact O-N 2.82Å; S528-S532 VanDerWaalsContact O-CB 3.22Å; S528-S532 WeakPolarHBondContact O-CB 3.36Å; S528-S532 PolarHBondContact O-N 3.34Å; S528-S532 PolarHBondContact O-OG 3.32Å; S528-A546 WeakPolarHBondContact O-CB 3.42Å; S528-H547 WeakPolarHBondContact CB-O 3.31Å; S528-H547 PolarHBondContact OG-O 2.75Å
529	V	98.7	Very high	97.4	Very high	54 Å²	54	47.1 Å²	47.1	33%	0.327	24%	0.238	S	C	.	.	H	α-helix	trans	-68.4	-48.9	-179.2	177.8	0	0	0	0	111.4	M526 K527 T533 A546 E548	M526-V529 HydrophobicContact CB-CB 4.25Å; M526-V529 HydrophobicContact CB-CG2 3.99Å; M526-V529 PolarHBondContact O-N 2.79Å; K527-V529 VanDerWaalsContact C-N 3.34Å; K527-V529 PolarHBondContact O-N 2.86Å; V529-T533 PolarHBondContact O-N 3.24Å; V529-T533 PolarHBondContact O-OG1 3.34Å; V529-A546 HydrophobicContact CB-CB 4.46Å; V529-A546 HydrophobicContact CG2-CB 4.04Å; V529-E548 HydrophobicContact CG2-CG 4.11Å; V529-E548 VanDerWaalsContact CG2-OE1 3.22Å; V529-E548 WeakPolarHBondContact CG2-OE1 3.18Å
530	V	98.7	Very high	97.3	Very high	16 Å²	16	51.2 Å²	51.2	10%	0.097	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-44.2	180	179.1	0	0	0	0	110.2	I507 F518 D522 K525 M526 K527 S532 T533 A534	I507-V530 HydrophobicContact CD1-CB 3.77Å; I507-V530 HydrophobicContact CD1-CG1 4.02Å; I507-V530 HydrophobicContact CD1-CG2 3.72Å; F518-V530 HydrophobicContact CD1-CB 4.1Å; F518-V530 HydrophobicContact CD1-CG1 3.7Å; F518-V530 HydrophobicContact CE1-CB 4.07Å; F518-V530 HydrophobicContact CE1-CG1 4.14Å; D522-V530 HydrophobicContact CB-CG1 4.02Å; D522-V530 HydrophobicContact CB-CG2 4.36Å; K525-V530 HydrophobicContact CB-CG2 3.7Å; K525-V530 HydrophobicContact CD-CG2 3.98Å; M526-V530 WeakPolarHBondContact O-CG2 3.26Å; M526-V530 PolarHBondContact O-N 3.4Å; K527-V530 PolarHBondContact O-N 2.89Å; V530-S532 VanDerWaalsContact C-N 3.34Å; V530-S532 PolarHBondContact O-N 3.42Å; V530-T533 PolarHBondContact O-N 3.13Å; V530-A534 PolarHBondContact O-N 2.95Å
531	A	98.7	Very high	97.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-43.2	179.7	0	0	0	0	0	111.4	S475 L483 L517 F518 K527 T533 A534 A535	S475-A531 VanDerWaalsContact OG-CB 3.23Å; S475-A531 WeakPolarHBondContact OG-CB 3.18Å; L483-A531 HydrophobicContact CD1-CB 3.56Å; L517-A531 HydrophobicContact CD1-CB 4.09Å; F518-A531 HydrophobicContact CE1-CB 3.71Å; F518-A531 HydrophobicContact CZ-CB 4.04Å; K527-A531 WeakPolarHBondContact O-CB 3.41Å; K527-A531 PolarHBondContact O-N 3.45Å; A531-T533 VanDerWaalsContact C-N 3.32Å; A531-T533 PolarHBondContact O-N 2.86Å; A531-A534 PolarHBondContact O-N 3.28Å; A531-A535 VanDerWaalsContact O-CB 3.32Å; A531-A535 WeakPolarHBondContact O-CB 3.46Å; A531-A535 PolarHBondContact O-N 3.06Å
532	S	98.6	Very high	97.4	Very high	7 Å²	7	46.3 Å²	46.3	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-40.7	176.4	-64	0	0	0	0	112.2	V501 S528 V530 A535 K536 I544 A546	V501-S532 WeakPolarHBondContact CG1-OG 3.37Å; S528-S532 VanDerWaalsContact O-CB 3.22Å; S528-S532 WeakPolarHBondContact O-CB 3.36Å; S528-S532 PolarHBondContact O-N 3.34Å; S528-S532 PolarHBondContact O-OG 3.32Å; V530-S532 VanDerWaalsContact C-N 3.34Å; V530-S532 PolarHBondContact O-N 3.42Å; S532-A535 PolarHBondContact O-N 3.01Å; S532-K536 WeakPolarHBondContact O-CG 3.35Å; S532-K536 PolarHBondContact O-N 2.84Å; S532-I544 WeakPolarHBondContact OG-CD1 3.3Å; S532-A546 WeakPolarHBondContact OG-CB 3.44Å
533	T	98.4	Very high	97.4	Very high	86 Å²	86	48.3 Å²	48.3	53%	0.528	26%	0.257	S	S	.	.	H	α-helix	trans	-64.2	-46.6	176.6	-57	0	0	0	0	110.8	V529 V530 A531 A535 K536 V537	V529-T533 PolarHBondContact O-N 3.24Å; V529-T533 PolarHBondContact O-OG1 3.34Å; V530-T533 PolarHBondContact O-N 3.13Å; A531-T533 VanDerWaalsContact C-N 3.32Å; A531-T533 PolarHBondContact O-N 2.86Å; T533-A535 PolarHBondContact O-N 3.02Å; T533-K536 PolarHBondContact O-N 3.11Å; T533-V537 PolarHBondContact O-N 2.98Å
534	A	97.9	Very high	97.6	Very high	24 Å²	24	46.4 Å²	46.4	20%	0.198	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-40.9	176.6	0	0	0	0	0	112.3	L517 V530 A531 K536 V537 I538	L517-A534 HydrophobicContact CB-CB 3.98Å; L517-A534 HydrophobicContact CD2-CB 4.08Å; L517-A534 HydrophobicContact CG-CB 4.44Å; V530-A534 PolarHBondContact O-N 2.95Å; A531-A534 PolarHBondContact O-N 3.28Å; A534-K536 VanDerWaalsContact C-N 3.33Å; A534-K536 PolarHBondContact O-N 3.15Å; A534-V537 WeakPolarHBondContact O-CB 3.45Å; A534-V537 PolarHBondContact O-N 2.94Å; A534-V537 VanDerWaalsContact O-N 3.09Å; A534-I538 PolarHBondContact O-N 3.49Å
535	A	97.9	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-33.7	178	0	0	0	0	0	112.8	L483 S487 A531 S532 T533 V537 I538 N539 F542	L483-A535 HydrophobicContact CB-CB 4.22Å; S487-A535 PolarHBondContact OG-O 3.1Å; A531-A535 VanDerWaalsContact O-CB 3.32Å; A531-A535 WeakPolarHBondContact O-CB 3.46Å; A531-A535 PolarHBondContact O-N 3.06Å; S532-A535 PolarHBondContact O-N 3.01Å; T533-A535 PolarHBondContact O-N 3.02Å; A535-V537 VanDerWaalsContact C-N 3.32Å; A535-I538 WeakPolarHBondContact O-CB 3.39Å; A535-I538 PolarHBondContact O-N 3.47Å; A535-N539 PolarHBondContact O-N 3.5Å; A535-N539 VanDerWaalsContact O-N 3.13Å; A535-F542 HydrophobicContact CB-CD1 3.83Å; A535-F542 HydrophobicContact CB-CE1 3.74Å
536	K	97.3	Very high	97.8	Very high	93 Å²	93	40 Å²	40	40%	0.404	23%	0.225	S	C	.	.	H	α-helix	trans	-68.4	-28	171.4	-77.3	-176.1	177.8	172.8	0	113.3	S532 T533 A534 I538 N539 P540 F542 I544	S532-K536 WeakPolarHBondContact O-CG 3.35Å; S532-K536 PolarHBondContact O-N 2.84Å; T533-K536 PolarHBondContact O-N 3.11Å; A534-K536 VanDerWaalsContact C-N 3.33Å; A534-K536 PolarHBondContact O-N 3.15Å; K536-I538 VanDerWaalsContact C-N 3.35Å; K536-N539 CarbonylContact O-C 3.03Å; K536-N539 PolarHBondContact O-N 3.36Å; K536-N539 VanDerWaalsContact O-O 3.13Å; K536-P540 WeakPolarHBondContact O-CA 3.23Å; K536-P540 VanDerWaalsContact O-N 3.15Å; K536-F542 WeakPolarHBondContact CE-O 3.37Å; K536-I544 HydrophobicContact CD-CG2 4.06Å; K536-I544 VanDerWaalsContact CE-O 3.27Å; K536-I544 WeakPolarHBondContact CE-O 3.29Å; K536-I544 HydrophobicContact CG-CG2 3.65Å; K536-I544 PolarHBondContact NZ-O 3.26Å
537	V	96.1	Very high	97.8	Very high	96 Å²	96	39 Å²	39	58%	0.582	22%	0.219	S	C	*	.	H	α-helix	trans	-69.3	-36.7	172.9	175	0	0	0	0	110.8	T533 A534 A535	T533-V537 PolarHBondContact O-N 2.98Å; A534-V537 WeakPolarHBondContact O-CB 3.45Å; A534-V537 PolarHBondContact O-N 2.94Å; A534-V537 VanDerWaalsContact O-N 3.09Å; A535-V537 VanDerWaalsContact C-N 3.32Å
538	I	96.2	Very high	97.8	Very high	11 Å²	11	43 Å²	43	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-45.6	173.8	-60.8	172.2	0	0	0	110.1	R449 K484 S487 L488 L517 A534 A535 K536	R449-I538 PolarHBondContact NH1-O 3.06Å; R449-I538 PolarHBondContact NH2-O 3.25Å; K484-I538 HydrophobicContact CB-CD1 4.47Å; K484-I538 HydrophobicContact CG-CD1 4.39Å; S487-I538 WeakPolarHBondContact OG-CB 3.3Å; L488-I538 HydrophobicContact CD2-CG2 3.92Å; L488-I538 HydrophobicContact CG-CG2 4.26Å; L517-I538 HydrophobicContact CD2-CD1 4.11Å; A534-I538 PolarHBondContact O-N 3.49Å; A535-I538 WeakPolarHBondContact O-CB 3.39Å; A535-I538 PolarHBondContact O-N 3.47Å; K536-I538 VanDerWaalsContact C-N 3.35Å
539	N	96.5	Very high	97.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.011	25%	0.251	C	S	.	.			trans	-138.9	106.4	177.6	-170.4	4.5	0	0	0	113	R449 Y450 S487 A535 K536 E541 F542	R449-N539 VanDerWaalsContact NH1-CB 3.3Å; R449-N539 VanDerWaalsContact NH1-CG 3.26Å; R449-N539 PolarHBondContact NH1-OD1 3.5Å; R449-N539 VanDerWaalsContact NH1-OD1 3.1Å; Y450-N539 PolarHBondContact OH-ND2 3.34Å; S487-N539 WeakPolarHBondContact O-CB 3.47Å; S487-N539 PolarHBondContact O-ND2 3.49Å; S487-N539 WeakPolarHBondContact OG-CB 3.23Å; S487-N539 PolarHBondContact OG-N 2.92Å; A535-N539 PolarHBondContact O-N 3.5Å; A535-N539 VanDerWaalsContact O-N 3.13Å; K536-N539 CarbonylContact O-C 3.03Å; K536-N539 PolarHBondContact O-N 3.36Å; K536-N539 VanDerWaalsContact O-O 3.13Å; N539-E541 PolarHBondContact O-N 3.45Å; N539-E541 VanDerWaalsContact O-N 3.15Å; N539-E541 PolarHBondContact OD1-N 3.1Å; N539-F542 HydrophobicContact CB-CB 4.16Å; N539-F542 WeakPolarHBondContact O-CB 3.34Å; N539-F542 PolarHBondContact O-N 2.89Å
540	P	95.9	Very high	97.7	Very high	111 Å²	111	48.9 Å²	48.9	72%	0.721	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.6	179.1	-26.8	35.9	0	0	0	114.6	K536 F542	K536-P540 WeakPolarHBondContact O-CA 3.23Å; K536-P540 VanDerWaalsContact O-N 3.15Å; P540-F542 VanDerWaalsContact C-N 3.28Å
541	E	96	Very high	97.6	Very high	100 Å²	100	48.8 Å²	48.8	47%	0.467	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-12	176.2	-60	-175.2	149.3	0	0	112.9	Y450 A493 N539 N543	Y450-E541 WeakPolarHBondContact CE2-OE2 3.46Å; Y450-E541 PolarHBondContact OH-OE2 2.85Å; A493-E541 VanDerWaalsContact CA-O 3.23Å; A493-E541 WeakPolarHBondContact CA-O 3.33Å; A493-E541 HydrophobicContact CB-CB 3.99Å; A493-E541 WeakPolarHBondContact CB-O 3.44Å; N539-E541 PolarHBondContact O-N 3.45Å; N539-E541 VanDerWaalsContact O-N 3.15Å; N539-E541 PolarHBondContact OD1-N 3.1Å; E541-N543 PolarHBondContact O-N 2.78Å
542	F	97.7	Very high	97.5	Very high	3 Å²	3	49 Å²	49	1%	0.013	26%	0.259	C	S	.	.			trans	-67.3	104.4	-175	-171.1	-138.2	0	0	0	111.5	L483 F486 V491 V499 A535 K536 N539 P540 I544	L483-F542 HydrophobicContact CD2-CE1 4.15Å; L483-F542 HydrophobicContact CD2-CZ 4.24Å; F486-F542 HydrophobicContact CB-CE2 4.05Å; F486-F542 HydrophobicContact CB-CZ 3.91Å; V491-F542 VanDerWaalsContact O-CD2 3.32Å; V491-F542 WeakPolarHBondContact O-CD2 3.14Å; V491-F542 WeakPolarHBondContact O-CE2 3.47Å; V499-F542 HydrophobicContact CB-CE2 4.04Å; V499-F542 HydrophobicContact CB-CZ 4.01Å; V499-F542 HydrophobicContact CG1-CZ 4.15Å; V499-F542 HydrophobicContact CG2-CE2 3.57Å; V499-F542 HydrophobicContact CG2-CZ 3.94Å; A535-F542 HydrophobicContact CB-CD1 3.83Å; A535-F542 HydrophobicContact CB-CE1 3.74Å; K536-F542 WeakPolarHBondContact CE-O 3.37Å; N539-F542 HydrophobicContact CB-CB 4.16Å; N539-F542 WeakPolarHBondContact O-CB 3.34Å; N539-F542 PolarHBondContact O-N 2.89Å; P540-F542 VanDerWaalsContact C-N 3.28Å; F542-I544 VanDerWaalsContact C-N 3.3Å; F542-I544 HydrophobicContact CD1-CB 3.94Å; F542-I544 HydrophobicContact CD1-CD1 4.46Å; F542-I544 HydrophobicContact CD1-CG2 3.66Å; F542-I544 HydrophobicContact CE1-CB 3.8Å; F542-I544 HydrophobicContact CE1-CD1 3.62Å; F542-I544 HydrophobicContact CE1-CG1 4.31Å; F542-I544 HydrophobicContact CE1-CG2 3.9Å; F542-I544 HydrophobicContact CG-CB 4.5Å; F542-I544 HydrophobicContact CG-CG2 4.39Å; F542-I544 HydrophobicContact CZ-CB 4.25Å; F542-I544 HydrophobicContact CZ-CD1 4.05Å; F542-I544 PolarHBondContact O-N 3.15Å
543	N	98.3	Very high	97.2	Very high	57 Å²	57	52.9 Å²	52.9	31%	0.305	29%	0.285	S	S	.	.			trans	-79.5	77.9	-179.3	-171.7	10.4	0	0	0	111	G492 G497 K498 V499 E541	G492-N543 VanDerWaalsContact O-CB 3.27Å; G492-N543 WeakPolarHBondContact O-CB 3.25Å; G497-N543 PolarHBondContact O-ND2 3.44Å; K498-N543 WeakPolarHBondContact CA-O 3.41Å; V499-N543 PolarHBondContact N-O 2.94Å; E541-N543 PolarHBondContact O-N 2.78Å
544	I	98.5	Very high	96.9	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142	178.5	-174.3	164.4	0	0	0	113.2	L483 V499 V501 S532 K536 F542	L483-I544 HydrophobicContact CD1-CD1 4.49Å; L483-I544 HydrophobicContact CD2-CD1 3.24Å; L483-I544 HydrophobicContact CG-CD1 4.47Å; V499-I544 HydrophobicContact CB-CB 4.4Å; V499-I544 HydrophobicContact CB-CG1 4.34Å; V499-I544 HydrophobicContact CG1-CD1 4.15Å; V499-I544 HydrophobicContact CG1-CG1 4.3Å; V499-I544 CarbonylContact O-C 3.58Å; V499-I544 VanDerWaalsContact O-CA 3.25Å; V499-I544 WeakPolarHBondContact O-CA 3.49Å; V501-I544 HydrophobicContact CB-CD1 4.34Å; V501-I544 HydrophobicContact CG1-CD1 3.78Å; V501-I544 HydrophobicContact CG1-CG1 4.17Å; S532-I544 WeakPolarHBondContact OG-CD1 3.3Å; K536-I544 HydrophobicContact CD-CG2 4.06Å; K536-I544 VanDerWaalsContact CE-O 3.27Å; K536-I544 WeakPolarHBondContact CE-O 3.29Å; K536-I544 HydrophobicContact CG-CG2 3.65Å; K536-I544 PolarHBondContact NZ-O 3.26Å; F542-I544 VanDerWaalsContact C-N 3.3Å; F542-I544 HydrophobicContact CD1-CB 3.94Å; F542-I544 HydrophobicContact CD1-CD1 4.46Å; F542-I544 HydrophobicContact CD1-CG2 3.66Å; F542-I544 HydrophobicContact CE1-CB 3.8Å; F542-I544 HydrophobicContact CE1-CD1 3.62Å; F542-I544 HydrophobicContact CE1-CG1 4.31Å; F542-I544 HydrophobicContact CE1-CG2 3.9Å; F542-I544 HydrophobicContact CG-CB 4.5Å; F542-I544 HydrophobicContact CG-CG2 4.39Å; F542-I544 HydrophobicContact CZ-CB 4.25Å; F542-I544 HydrophobicContact CZ-CD1 4.05Å; F542-I544 PolarHBondContact O-N 3.15Å
545	E	98.3	Very high	96.8	Very high	80 Å²	80	53.2 Å²	53.2	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.6	170.8	178.4	175.7	155.2	0	0	110.6	K498 V499 V500 V501 H547	K498-E545 WeakPolarHBondContact CE-OE2 3.36Å; K498-E545 IonicContact NZ-OE2 2.68Å; K498-E545 PolarHBondContact NZ-OE2 3.44Å; V499-E545 PolarHBondContact O-N 3.38Å; V500-E545 WeakPolarHBondContact CA-O 3.28Å; V501-E545 PolarHBondContact N-O 2.87Å; E545-H547 IonicContact OE1-CD2 3.06Å; E545-H547 IonicContact OE1-CE1 2.93Å; E545-H547 IonicContact OE1-NE2 2.81Å; E545-H547 PolarHBondContact OE1-NE2 3.22Å
546	A	98.7	Very high	96.5	Very high	32 Å²	32	55.9 Å²	55.9	26%	0.264	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.2	178.8	0	0	0	0	0	110.2	V501 S528 V529 S532	V501-A546 HydrophobicContact CG1-CB 4.43Å; V501-A546 CarbonylContact O-C 3.11Å; V501-A546 WeakPolarHBondContact O-CA 3.43Å; S528-A546 WeakPolarHBondContact O-CB 3.42Å; V529-A546 HydrophobicContact CB-CB 4.46Å; V529-A546 HydrophobicContact CG2-CB 4.04Å; S532-A546 WeakPolarHBondContact OG-CB 3.44Å
547	H	98.7	Very high	96.2	Very high	30 Å²	30	58.5 Å²	58.5	14%	0.139	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	157.2	167.5	-70.6	-174.3	0	0	0	109.7	V501 T502 D503 S528 E545 Y559	V501-H547 PolarHBondContact O-N 3.25Å; T502-H547 WeakPolarHBondContact CA-O 3.44Å; T502-H547 WeakPolarHBondContact OG1-CB 3.37Å; D503-H547 PolarHBondContact N-O 3.35Å; S528-H547 WeakPolarHBondContact CB-O 3.31Å; S528-H547 PolarHBondContact OG-O 2.75Å; E545-H547 IonicContact OE1-CD2 3.06Å; E545-H547 IonicContact OE1-CE1 2.93Å; E545-H547 IonicContact OE1-NE2 2.81Å; E545-H547 PolarHBondContact OE1-NE2 3.22Å; H547-Y559 WeakPolarHBondContact CB-OH 3.35Å; H547-Y559 AromaticContact ND1-CE1 3.39Å; H547-Y559 WeakPolarHBondContact ND1-CE1 3.41Å; H547-Y559 AromaticContact ND1-CZ 3.68Å; H547-Y559 PolarHBondContact ND1-OH 3.45Å; H547-Y559 VanDerWaalsContact ND1-OH 3.11Å
548	E	98.1	Very high	96.2	Very high	97 Å²	97	57 Å²	57	45%	0.453	29%	0.289	S	S	.	.			trans	-117.1	25.1	-175.5	-60.5	173.8	-167.5	0	0	111.3	D503 M526 V529	D503-E548 CarbonylContact O-C 3.56Å; D503-E548 VanDerWaalsContact O-CA 3.31Å; D503-E548 WeakPolarHBondContact O-CA 3.38Å; M526-E548 HydrophobicContact CB-CG 4.18Å; M526-E548 HydrophobicContact CE-CB 4.32Å; M526-E548 HydrophobicContact CG-CG 3.9Å; M526-E548 HydrophobicContact SD-CB 4.48Å; M526-E548 HydrophobicContact SD-CG 4.41Å; V529-E548 HydrophobicContact CG2-CG 4.11Å; V529-E548 VanDerWaalsContact CG2-OE1 3.22Å; V529-E548 WeakPolarHBondContact CG2-OE1 3.18Å
549	N	97.8	Very high	96.1	Very high	47 Å²	47	56.5 Å²	56.5	25%	0.251	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-102.8	139.4	-169.3	-52.4	-61.8	0	0	0	111.1	T502 V551 T555 Y559	T502-N549 PolarHBondContact OG1-N 3.33Å; T502-N549 VanDerWaalsContact OG1-N 3.15Å; T502-N549 PolarHBondContact OG1-O 3.29Å; N549-V551 PolarHBondContact O-N 2.88Å; N549-T555 HydrophobicContact CB-CG2 4.09Å; N549-Y559 HydrophobicContact CB-CE2 3.97Å; N549-Y559 WeakPolarHBondContact CB-OH 3.23Å; N549-Y559 PolarHBondContact ND2-OH 3.25Å; N549-Y559 VanDerWaalsContact ND2-OH 3.11Å
550	R	97.1	Very high	95.9	Very high	130 Å²	130	58.5 Å²	58.5	49%	0.491	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-68.1	128	164.2	-175.7	178.4	-179.4	-176.7	-1.9	109.1	M504 G552 E554 T555	M504-R550 HydrophobicContact CB-CB 4.3Å; M504-R550 HydrophobicContact CG-CB 4.21Å; M504-R550 HydrophobicContact SD-CB 4.15Å; M504-R550 HydrophobicContact SD-CG 4.24Å; R550-G552 PolarHBondContact O-N 3.13Å; R550-E554 WeakPolarHBondContact CD-OE1 3.2Å; R550-T555 WeakPolarHBondContact O-CB 3.22Å; R550-T555 WeakPolarHBondContact O-CG2 3.01Å; R550-T555 PolarHBondContact O-OG1 2.77Å
551	V	97.7	Very high	95.7	Very high	15 Å²	15	54.3 Å²	54.3	9%	0.091	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-81.4	118.5	176.1	178.4	0	0	0	0	108.9	F471 V473 T502 N549 Y559 Y582 V583	F471-V551 HydrophobicContact CE1-CG2 4.25Å; F471-V551 HydrophobicContact CZ-CG2 3.83Å; V473-V551 HydrophobicContact CG1-CB 3.87Å; V473-V551 HydrophobicContact CG1-CG1 4.39Å; V473-V551 HydrophobicContact CG1-CG2 3.59Å; V473-V551 HydrophobicContact CG2-CG2 4.47Å; T502-V551 HydrophobicContact CG2-CG2 3.34Å; N549-V551 PolarHBondContact O-N 2.88Å; V551-Y559 HydrophobicContact CG2-CD2 4.42Å; V551-Y559 HydrophobicContact CG2-CE2 4.01Å; V551-Y582 HydrophobicContact CG1-CD1 3.82Å; V551-Y582 HydrophobicContact CG1-CE1 3.65Å; V551-V583 HydrophobicContact CG1-CG2 3.95Å
552	G	96.3	Very high	95.5	Very high	3 Å²	3	54 Å²	54	3%	0.031	27%	0.267	C	S	.	.	S	Bend	trans	-179.6	179.2	-177	0	0	0	0	0	111.5	R550 E554 T555 Y582	R550-G552 PolarHBondContact O-N 3.13Å; G552-E554 PolarHBondContact O-N 2.91Å; G552-T555 PolarHBondContact N-OG1 3.41Å; G552-T555 PolarHBondContact O-N 2.81Å; G552-T555 PolarHBondContact O-OG1 3.22Å; G552-T555 VanDerWaalsContact O-OG1 3.13Å; G552-Y582 VanDerWaalsContact C-CZ 3.4Å; G552-Y582 PolarHBondContact O-OH 3.02Å
553	P	92.1	Very high	95.4	Very high	89 Å²	89	55.5 Å²	55.5	58%	0.578	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-52.3	-31.8	180	-26.2	34.8	0	0	0	113.8	T555 Y582	P553-T555 VanDerWaalsContact C-N 3.28Å; P553-T555 PolarHBondContact O-N 2.93Å; P553-Y582 HydrophobicContact CG-CD2 4.12Å; P553-Y582 HydrophobicContact CG-CE2 3.81Å
554	E	92.5	Very high	95.4	Very high	103 Å²	103	52.9 Å²	52.9	48%	0.481	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-70.1	-17.7	-179.2	65.5	-80.8	-172	0	0	114.8	R550 G552	R550-E554 WeakPolarHBondContact CD-OE1 3.2Å; G552-E554 PolarHBondContact O-N 2.91Å
555	T	95.2	Very high	95.2	Very high	14 Å²	14	57.7 Å²	57.7	9%	0.086	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-112.1	10.6	-178	50.4	0	0	0	0	114	N549 R550 G552 P553 K557 I558 Y559	N549-T555 HydrophobicContact CB-CG2 4.09Å; R550-T555 WeakPolarHBondContact O-CB 3.22Å; R550-T555 WeakPolarHBondContact O-CG2 3.01Å; R550-T555 PolarHBondContact O-OG1 2.77Å; G552-T555 PolarHBondContact N-OG1 3.41Å; G552-T555 PolarHBondContact O-N 2.81Å; G552-T555 PolarHBondContact O-OG1 3.22Å; G552-T555 VanDerWaalsContact O-OG1 3.13Å; P553-T555 VanDerWaalsContact C-N 3.28Å; P553-T555 PolarHBondContact O-N 2.93Å; T555-K557 PolarHBondContact O-N 2.76Å; T555-K557 VanDerWaalsContact O-N 3.1Å; T555-I558 HydrophobicContact CG2-CD1 4.33Å; T555-I558 WeakPolarHBondContact O-CA 3.41Å; T555-I558 WeakPolarHBondContact O-CB 3.09Å; T555-I558 PolarHBondContact O-N 3.31Å; T555-Y559 PolarHBondContact O-N 2.68Å
556	E	92.3	Very high	95.1	Very high	57 Å²	57	59.1 Å²	59.1	27%	0.266	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.9	176.7	-68	-166	-172.7	0	0	114	I558 Y559 D560 Y582 R586	E556-I558 PolarHBondContact O-N 3.07Å; E556-Y559 CarbonylContact O-C 3.51Å; E556-D560 VanDerWaalsContact O-CA 3.27Å; E556-D560 WeakPolarHBondContact O-CA 3.46Å; E556-D560 WeakPolarHBondContact O-CB 3.46Å; E556-D560 PolarHBondContact O-N 2.96Å; E556-Y582 VanDerWaalsContact CD-OH 3.28Å; E556-Y582 WeakPolarHBondContact CG-OH 3.4Å; E556-Y582 PolarHBondContact OE1-OH 3.15Å; E556-R586 IonicContact OE1-CZ 2.87Å; E556-R586 IonicContact OE1-NH1 3.77Å; E556-R586 PolarHBondContact OE1-NH1 2.8Å; E556-R586 IonicContact OE2-CZ 2.96Å; E556-R586 IonicContact OE2-NH1 3.85Å; E556-R586 PolarHBondContact OE2-NH1 3.23Å; E556-R586 IonicContact OE2-NH2 3.89Å
557	K	90.7	Very high	95.1	Very high	148 Å²	148	58 Å²	58	64%	0.643	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.9	170.5	71.8	-178.4	179.7	-178.8	0	113.6	T555	T555-K557 PolarHBondContact O-N 2.76Å; T555-K557 VanDerWaalsContact O-N 3.1Å
558	I	94.8	Very high	95.1	Very high	63 Å²	63	60.2 Å²	60.2	32%	0.323	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-47.9	178.3	-54.9	177.8	0	0	0	108.6	T555 E556 D560	T555-I558 HydrophobicContact CG2-CD1 4.33Å; T555-I558 WeakPolarHBondContact O-CA 3.41Å; T555-I558 WeakPolarHBondContact O-CB 3.09Å; T555-I558 PolarHBondContact O-N 3.31Å; E556-I558 PolarHBondContact O-N 3.07Å; I558-D560 VanDerWaalsContact C-N 3.35Å; I558-D560 PolarHBondContact O-N 3.2Å
559	Y	96	Very high	95.1	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.008	27%	0.268	C	S	.	.	S	Bend	trans	-97.2	62.8	177.4	-52.2	-60.2	0	0	0	110.2	F471 T502 H547 N549 V551 T555 E556 F563 F564	F471-Y559 HydrophobicContact CE1-CD1 4.39Å; F471-Y559 AromaticContact CE2-CE1 3.97Å; F471-Y559 HydrophobicContact CE2-CE1 3.97Å; F471-Y559 AromaticContact CZ-CD1 3.96Å; F471-Y559 HydrophobicContact CZ-CD1 3.96Å; F471-Y559 AromaticContact CZ-CE1 3.67Å; F471-Y559 HydrophobicContact CZ-CE1 3.67Å; F471-Y559 HydrophobicContact CZ-CE2 4.39Å; F471-Y559 HydrophobicContact CZ-CG 4.45Å; F471-Y559 AromaticContact CZ-CZ 3.92Å; T502-Y559 WeakPolarHBondContact CB-OH 3.32Å; T502-Y559 PolarHBondContact OG1-OH 3.33Å; H547-Y559 WeakPolarHBondContact CB-OH 3.35Å; H547-Y559 AromaticContact ND1-CE1 3.39Å; H547-Y559 WeakPolarHBondContact ND1-CE1 3.41Å; H547-Y559 AromaticContact ND1-CZ 3.68Å; H547-Y559 PolarHBondContact ND1-OH 3.45Å; H547-Y559 VanDerWaalsContact ND1-OH 3.11Å; N549-Y559 HydrophobicContact CB-CE2 3.97Å; N549-Y559 WeakPolarHBondContact CB-OH 3.23Å; N549-Y559 PolarHBondContact ND2-OH 3.25Å; N549-Y559 VanDerWaalsContact ND2-OH 3.11Å; V551-Y559 HydrophobicContact CG2-CD2 4.42Å; V551-Y559 HydrophobicContact CG2-CE2 4.01Å; T555-Y559 PolarHBondContact O-N 2.68Å; E556-Y559 CarbonylContact O-C 3.51Å; Y559-F563 AromaticContact CD1-CD1 3.82Å; Y559-F563 HydrophobicContact CD1-CD1 3.82Å; Y559-F563 HydrophobicContact CD1-CD2 4.34Å; Y559-F563 AromaticContact CD1-CE1 3.6Å; Y559-F563 HydrophobicContact CD1-CE1 3.6Å; Y559-F563 HydrophobicContact CD1-CE2 4.14Å; Y559-F563 HydrophobicContact CD1-CG 4.19Å; Y559-F563 AromaticContact CD1-CZ 3.78Å; Y559-F563 HydrophobicContact CD1-CZ 3.78Å; Y559-F563 HydrophobicContact CE1-CE1 4.32Å; Y559-F563 HydrophobicContact CE1-CE2 4.4Å; Y559-F563 HydrophobicContact CE1-CZ 4.08Å; Y559-F563 HydrophobicContact CG-CD1 4.46Å; Y559-F563 HydrophobicContact CG-CE1 4.45Å; Y559-F564 WeakPolarHBondContact O-CD2 3.38Å; Y559-F564 WeakPolarHBondContact O-CE2 3.35Å
560	D	92.4	Very high	95.2	Very high	43 Å²	43	53.3 Å²	53.3	23%	0.23	26%	0.256	C	S	.	.			trans	-81	-174.5	-175.9	76.5	-13.7	0	0	0	112.6	E556 I558 E562 F563 F564	E556-D560 VanDerWaalsContact O-CA 3.27Å; E556-D560 WeakPolarHBondContact O-CA 3.46Å; E556-D560 WeakPolarHBondContact O-CB 3.46Å; E556-D560 PolarHBondContact O-N 2.96Å; I558-D560 VanDerWaalsContact C-N 3.35Å; I558-D560 PolarHBondContact O-N 3.2Å; D560-E562 VanDerWaalsContact C-N 3.28Å; D560-E562 PolarHBondContact O-N 3.24Å; D560-E562 PolarHBondContact OD1-N 3.11Å; D560-E562 VanDerWaalsContact OD1-N 3.16Å; D560-F563 WeakPolarHBondContact O-CB 3.33Å; D560-F563 PolarHBondContact O-N 3.05Å; D560-F563 PolarHBondContact OD1-N 3.12Å; D560-F564 PolarHBondContact O-N 3.25Å; D560-F564 VanDerWaalsContact O-N 3.13Å
561	D	90.2	Very high	95.3	Very high	23 Å²	23	47.1 Å²	47.1	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-55.9	-43.2	177.5	-64	-22.2	0	0	0	111.9	F563 F564 E565 Y590	D561-F563 VanDerWaalsContact C-N 3.32Å; D561-F563 PolarHBondContact O-N 3.4Å; D561-F564 PolarHBondContact O-N 2.72Å; D561-E565 WeakPolarHBondContact O-CB 3.35Å; D561-E565 WeakPolarHBondContact O-CG 3.5Å; D561-E565 PolarHBondContact O-N 3.1Å; D561-Y590 WeakPolarHBondContact CA-OH 3.34Å; D561-Y590 HydrophobicContact CB-CE1 4.16Å; D561-Y590 WeakPolarHBondContact OD1-CE1 3.43Å; D561-Y590 PolarHBondContact OD1-OH 2.97Å
562	E	92.3	Very high	95.3	Very high	93 Å²	93	46.4 Å²	46.4	44%	0.435	23%	0.228	S	C	.	.	H	α-helix	trans	-66.5	-37	-177.4	-177.2	177.9	168.8	0	0	111.6	D560 K566	D560-E562 VanDerWaalsContact C-N 3.28Å; D560-E562 PolarHBondContact O-N 3.24Å; D560-E562 PolarHBondContact OD1-N 3.11Å; D560-E562 VanDerWaalsContact OD1-N 3.16Å; E562-K566 HydrophobicContact CG-CD 4.39Å; E562-K566 WeakPolarHBondContact O-CD 3.42Å; E562-K566 WeakPolarHBondContact O-CG 3.15Å; E562-K566 WeakPolarHBondContact OE1-CE 3.48Å; E562-K566 IonicContact OE1-NZ 3.26Å; E562-K566 PolarHBondContact OE1-NZ 2.91Å
563	F	96.6	Very high	95.4	Very high	35 Å²	35	46.8 Å²	46.8	15%	0.154	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-57.7	173.4	179	-94.6	0	0	0	111	F471 V500 Y559 D560 D561 K566 L567	F471-F563 HydrophobicContact CB-CE1 4.34Å; F471-F563 HydrophobicContact CB-CZ 4.28Å; F471-F563 AromaticContact CD1-CE1 3.77Å; F471-F563 HydrophobicContact CD1-CE1 3.77Å; F471-F563 HydrophobicContact CD1-CZ 4.19Å; F471-F563 HydrophobicContact CD2-CE1 4.22Å; F471-F563 AromaticContact CD2-CZ 3.78Å; F471-F563 HydrophobicContact CD2-CZ 3.78Å; F471-F563 AromaticContact CE1-CE1 3.99Å; F471-F563 HydrophobicContact CE1-CE1 3.99Å; F471-F563 HydrophobicContact CE1-CZ 4.42Å; F471-F563 HydrophobicContact CE2-CE1 4.43Å; F471-F563 HydrophobicContact CE2-CZ 4.06Å; F471-F563 AromaticContact CG-CE1 3.88Å; F471-F563 HydrophobicContact CG-CE1 3.88Å; F471-F563 AromaticContact CG-CZ 3.85Å; F471-F563 HydrophobicContact CG-CZ 3.85Å; F471-F563 HydrophobicContact CZ-CE1 4.31Å; F471-F563 HydrophobicContact CZ-CZ 4.36Å; V500-F563 HydrophobicContact CB-CE2 4.4Å; V500-F563 HydrophobicContact CB-CZ 4.3Å; V500-F563 HydrophobicContact CG1-CE2 4.22Å; V500-F563 HydrophobicContact CG1-CZ 4.19Å; V500-F563 HydrophobicContact CG2-CE2 4.17Å; Y559-F563 AromaticContact CD1-CD1 3.82Å; Y559-F563 HydrophobicContact CD1-CD1 3.82Å; Y559-F563 HydrophobicContact CD1-CD2 4.34Å; Y559-F563 AromaticContact CD1-CE1 3.6Å; Y559-F563 HydrophobicContact CD1-CE1 3.6Å; Y559-F563 HydrophobicContact CD1-CE2 4.14Å; Y559-F563 HydrophobicContact CD1-CG 4.19Å; Y559-F563 AromaticContact CD1-CZ 3.78Å; Y559-F563 HydrophobicContact CD1-CZ 3.78Å; Y559-F563 HydrophobicContact CE1-CE1 4.32Å; Y559-F563 HydrophobicContact CE1-CE2 4.4Å; Y559-F563 HydrophobicContact CE1-CZ 4.08Å; Y559-F563 HydrophobicContact CG-CD1 4.46Å; Y559-F563 HydrophobicContact CG-CE1 4.45Å; D560-F563 WeakPolarHBondContact O-CB 3.33Å; D560-F563 PolarHBondContact O-N 3.05Å; D560-F563 PolarHBondContact OD1-N 3.12Å; D561-F563 VanDerWaalsContact C-N 3.32Å; D561-F563 PolarHBondContact O-N 3.4Å; F563-K566 PolarHBondContact O-N 3.02Å; F563-L567 HydrophobicContact CD1-CD1 4.24Å; F563-L567 HydrophobicContact CE1-CD1 3.83Å; F563-L567 HydrophobicContact CZ-CD1 4.49Å; F563-L567 HydrophobicContact CZ-CD2 4.49Å
564	F	96.5	Very high	95.6	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-67.1	-40.6	-175.2	-84.9	-87	0	0	0	112.7	Y559 D560 D561 K566 L567 R586 Y590 K592	Y559-F564 WeakPolarHBondContact O-CD2 3.38Å; Y559-F564 WeakPolarHBondContact O-CE2 3.35Å; D560-F564 PolarHBondContact O-N 3.25Å; D560-F564 VanDerWaalsContact O-N 3.13Å; D561-F564 PolarHBondContact O-N 2.72Å; F564-K566 PolarHBondContact O-N 3.16Å; F564-L567 HydrophobicContact CD1-CD1 4.11Å; F564-L567 WeakPolarHBondContact O-CB 3.29Å; F564-L567 PolarHBondContact O-N 3.03Å; F564-R586 HydrophobicContact CE1-CB 3.9Å; F564-R586 HydrophobicContact CZ-CB 3.86Å; F564-R586 HydrophobicContact CZ-CG 4.23Å; F564-Y590 HydrophobicContact CB-CD1 3.76Å; F564-Y590 HydrophobicContact CB-CD2 3.29Å; F564-Y590 HydrophobicContact CB-CE1 3.95Å; F564-Y590 HydrophobicContact CB-CE2 3.48Å; F564-Y590 VanDerWaalsContact CB-CE2 3.48Å; F564-Y590 HydrophobicContact CB-CG 3.44Å; F564-Y590 VanDerWaalsContact CB-CG 3.44Å; F564-Y590 AromaticContact CD1-CD2 3.54Å; F564-Y590 HydrophobicContact CD1-CD2 3.54Å; F564-Y590 AromaticContact CD1-CE2 4Å; F564-Y590 HydrophobicContact CD1-CE2 4Å; F564-Y590 HydrophobicContact CD1-CG 4.29Å; F564-Y590 AromaticContact CD2-CD2 3.88Å; F564-Y590 HydrophobicContact CD2-CD2 3.88Å; F564-Y590 AromaticContact CD2-CE2 3.43Å; F564-Y590 HydrophobicContact CD2-CE2 3.43Å; F564-Y590 VanDerWaalsContact CD2-CE2 3.43Å; F564-Y590 HydrophobicContact CE1-CD2 4.29Å; F564-Y590 HydrophobicContact CE2-CE2 4.1Å; F564-Y590 AromaticContact CG-CD2 3.3Å; F564-Y590 HydrophobicContact CG-CD2 3.3Å; F564-Y590 AromaticContact CG-CE2 3.37Å; F564-Y590 HydrophobicContact CG-CE2 3.37Å; F564-Y590 AromaticContact CG-CG 4Å; F564-Y590 HydrophobicContact CG-CG 4Å; F564-K592 WeakPolarHBondContact O-CE 3.33Å
565	E	95	Very high	95.6	Very high	104 Å²	104	43.9 Å²	43.9	49%	0.486	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-32.5	-178	-78.4	177.8	173.9	0	0	112.5	D561 Y590 K592 R1050	D561-E565 WeakPolarHBondContact O-CB 3.35Å; D561-E565 WeakPolarHBondContact O-CG 3.5Å; D561-E565 PolarHBondContact O-N 3.1Å; E565-Y590 HydrophobicContact CG-CD1 4.32Å; E565-K592 PolarHBondContact O-NZ 3.38Å; E565-R1050 IonicContact OE1-NH2 3.96Å
566	K	96.9	Very high	95.4	Very high	111 Å²	111	45.8 Å²	45.8	48%	0.483	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.5	178.9	-71.5	174.4	-173.1	170.1	0	114.5	K469 E562 F563 F564	K469-K566 WeakPolarHBondContact CD-O 3.43Å; E562-K566 HydrophobicContact CG-CD 4.39Å; E562-K566 WeakPolarHBondContact O-CD 3.42Å; E562-K566 WeakPolarHBondContact O-CG 3.15Å; E562-K566 WeakPolarHBondContact OE1-CE 3.48Å; E562-K566 IonicContact OE1-NZ 3.26Å; E562-K566 PolarHBondContact OE1-NZ 2.91Å; F563-K566 PolarHBondContact O-N 3.02Å; F564-K566 PolarHBondContact O-N 3.16Å
567	L	98.6	Very high	95.4	Very high	9 Å²	9	47 Å²	47	5%	0.047	23%	0.234	C	C	.	.			trans	-75.1	146.8	-177.3	-60.5	175.5	0	0	0	111.6	F471 F563 F564 I570 K592	F471-L567 HydrophobicContact CB-CD1 3.68Å; F471-L567 HydrophobicContact CB-CD2 4.1Å; F471-L567 HydrophobicContact CD1-CD1 4.48Å; F471-L567 HydrophobicContact CG-CD1 4.45Å; F563-L567 HydrophobicContact CD1-CD1 4.24Å; F563-L567 HydrophobicContact CE1-CD1 3.83Å; F563-L567 HydrophobicContact CZ-CD1 4.49Å; F563-L567 HydrophobicContact CZ-CD2 4.49Å; F564-L567 HydrophobicContact CD1-CD1 4.11Å; F564-L567 WeakPolarHBondContact O-CB 3.29Å; F564-L567 PolarHBondContact O-N 3.03Å; L567-I570 HydrophobicContact CD1-CD1 4.13Å; L567-I570 HydrophobicContact CD1-CG1 4.02Å; L567-K592 WeakPolarHBondContact O-CD 3.46Å; L567-K592 WeakPolarHBondContact O-CE 3.21Å; L567-K592 PolarHBondContact O-NZ 3.3Å
568	D	98.5	Very high	95.5	Very high	75 Å²	75	46.6 Å²	46.6	40%	0.401	24%	0.235	S	C	.	.	S	Bend	trans	-90.2	-21.8	168.8	-62.2	-56.1	0	0	0	111.8	L468 K469 Y470 P593	L468-D568 WeakPolarHBondContact CA-OD2 3.42Å; L468-D568 HydrophobicContact CD2-CB 3.9Å; K469-D568 PolarHBondContact N-OD2 2.82Å; K469-D568 PolarHBondContact O-N 2.94Å; Y470-D568 HydrophobicContact CE2-CB 4.34Å; D568-P593 WeakPolarHBondContact O-CD 3.45Å
569	G	98.6	Very high	95.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	175	175.4	0	0	0	0	0	113.2	Y470 F471 P593	Y470-G569 WeakPolarHBondContact CA-O 3.47Å; F471-G569 PolarHBondContact N-O 2.87Å; G569-P593 WeakPolarHBondContact CA-O 2.95Å
570	I	98.9	Very high	95.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.2	-177.5	-61	91.1	0	0	0	108.7	F471 V473 L567 V583 K592 P593 L594 L595	F471-I570 HydrophobicContact CB-CG1 4.18Å; F471-I570 HydrophobicContact CD1-CG1 4.48Å; F471-I570 HydrophobicContact CD1-CG2 4.41Å; F471-I570 CarbonylContact O-C 3.58Å; F471-I570 VanDerWaalsContact O-CA 3.31Å; F471-I570 WeakPolarHBondContact O-CA 3.28Å; F471-I570 WeakPolarHBondContact O-CG2 3.43Å; V473-I570 HydrophobicContact CG2-CG2 4.09Å; L567-I570 HydrophobicContact CD1-CD1 4.13Å; L567-I570 HydrophobicContact CD1-CG1 4.02Å; I570-V583 HydrophobicContact CG2-CG1 3.82Å; I570-K592 HydrophobicContact CD1-CB 3.4Å; I570-K592 HydrophobicContact CD1-CG 4.06Å; I570-P593 PolarHBondContact N-O 2.93Å; I570-L594 HydrophobicContact CB-CD1 4.11Å; I570-L594 HydrophobicContact CG2-CD1 3.93Å; I570-L594 WeakPolarHBondContact O-CA 3.36Å; I570-L595 PolarHBondContact O-N 3Å
571	A	98.9	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.1	172.9	0	0	0	0	0	110.4	Y470 F471 I472 V473 L482 F486 L595	Y470-A571 HydrophobicContact CD1-CB 4.41Å; F471-A571 PolarHBondContact O-N 3.01Å; I472-A571 WeakPolarHBondContact CA-O 3.44Å; I472-A571 HydrophobicContact CG1-CB 4.43Å; V473-A571 PolarHBondContact N-O 3.25Å; L482-A571 HydrophobicContact CD1-CB 4.1Å; F486-A571 HydrophobicContact CZ-CB 4.32Å; A571-L595 WeakPolarHBondContact CA-O 3.3Å; A571-L595 HydrophobicContact CB-CB 4.18Å
572	N	98.8	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	138	178.1	-83	-13.3	0	0	0	111.3	L574 V583 L594 L595 E596 S597	N572-L574 HydrophobicContact CB-CD1 4.2Å; N572-L574 HydrophobicContact CB-CG 4.35Å; N572-V583 WeakPolarHBondContact OD1-CG1 3.31Å; N572-L594 HydrophobicContact CB-CD1 4.4Å; N572-L595 PolarHBondContact N-O 3.05Å; N572-E596 WeakPolarHBondContact CB-OE2 3.39Å; N572-E596 PolarHBondContact ND2-OE2 3.44Å; N572-S597 PolarHBondContact O-OG 3.04Å
573	A	98.4	Very high	96.5	Very high	11 Å²	11	40.2 Å²	40.2	9%	0.091	21%	0.205	C	C	.	.			trans	-133.9	42.3	173.4	0	0	0	0	0	110.1	V473 G474 I478 L482	V473-A573 CarbonylContact O-C 3.53Å; V473-A573 WeakPolarHBondContact O-CA 3.44Å; V473-A573 PolarHBondContact O-N 3.11Å; G474-A573 WeakPolarHBondContact O-CB 3.44Å; I478-A573 HydrophobicContact CB-CB 3.93Å; I478-A573 HydrophobicContact CG2-CB 3.88Å; L482-A573 HydrophobicContact CD1-CB 4.3Å
574	L	96.6	Very high	96.6	Very high	24 Å²	24	38.6 Å²	38.6	13%	0.126	20%	0.198	C	C	.	.			trans	-89.9	165.1	-169.8	-66.2	170.8	0	0	0	112.5	V473 N572 A579 R580 V583	V473-L574 HydrophobicContact CB-CD2 4.49Å; V473-L574 HydrophobicContact CG1-CD2 3.78Å; V473-L574 HydrophobicContact CG1-CG 4.37Å; N572-L574 HydrophobicContact CB-CD1 4.2Å; N572-L574 HydrophobicContact CB-CG 4.35Å; L574-A579 HydrophobicContact CD1-CB 3.79Å; L574-A579 HydrophobicContact CD2-CB 3.91Å; L574-A579 HydrophobicContact CG-CB 4.39Å; L574-R580 HydrophobicContact CB-CG 4.08Å; L574-R580 HydrophobicContact CD1-CB 4.42Å; L574-R580 HydrophobicContact CD1-CG 3.85Å; L574-R580 PolarHBondContact O-NH1 2.73Å; L574-R580 PolarHBondContact O-NH2 3.36Å; L574-V583 HydrophobicContact CD1-CG2 4.36Å
575	D	92.2	Very high	96.6	Very high	106 Å²	106	45 Å²	45	57%	0.567	22%	0.222	S	C	*	.	S	Bend	trans	-123.3	-0.6	-179.6	64.6	-6	0	0	0	113.9
576	N	90.7	Very high	96.7	Very high	54 Å²	54	41.5 Å²	41.5	29%	0.289	20%	0.204	S	C	.	.	S	Bend	trans	-133.7	153.7	178.9	66.3	89	0	0	0	111.8	A579 R580	N576-A579 WeakPolarHBondContact OD1-CB 3.47Å; N576-A579 PolarHBondContact OD1-N 3.21Å; N576-R580 VanDerWaalsContact N-NH1 3.14Å; N576-R580 WeakPolarHBondContact O-CG 3.48Å; N576-R580 PolarHBondContact O-NH1 2.96Å
577	V	92	Very high	96.8	Very high	83 Å²	83	36.2 Å²	36.2	50%	0.503	18%	0.181	S	C	.	.	H	α-helix	trans	-74	-37.5	-176.6	176.8	0	0	0	0	111.4	A579 R580 T581	V577-A579 PolarHBondContact O-N 2.88Å; V577-R580 WeakPolarHBondContact O-CB 3.31Å; V577-R580 PolarHBondContact O-N 3.09Å; V577-R580 VanDerWaalsContact O-N 3.08Å; V577-T581 PolarHBondContact O-N 2.9Å; V577-T581 PolarHBondContact O-OG1 2.79Å
578	E	93.2	Very high	96.7	Very high	140 Å²	140	36.7 Å²	36.7	65%	0.654	19%	0.185	S	C	*	.	H	α-helix	trans	-57.5	-48.3	-177.4	-175.2	-176.3	-169.1	0	0	112.4	R580 T581 Y582	E578-R580 VanDerWaalsContact C-N 3.33Å; E578-R580 PolarHBondContact O-N 2.93Å; E578-T581 PolarHBondContact O-N 3.27Å; E578-Y582 PolarHBondContact O-N 3.03Å
579	A	96	Very high	96.6	Very high	15 Å²	15	34.5 Å²	34.5	12%	0.124	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-37.1	176.9	0	0	0	0	0	111.9	L574 N576 V577 Y582 V583	L574-A579 HydrophobicContact CD1-CB 3.79Å; L574-A579 HydrophobicContact CD2-CB 3.91Å; L574-A579 HydrophobicContact CG-CB 4.39Å; N576-A579 WeakPolarHBondContact OD1-CB 3.47Å; N576-A579 PolarHBondContact OD1-N 3.21Å; V577-A579 PolarHBondContact O-N 2.88Å; A579-Y582 PolarHBondContact O-N 3.48Å; A579-V583 WeakPolarHBondContact O-CG2 3.43Å; A579-V583 PolarHBondContact O-N 3.45Å
580	R	97.8	Very high	96.5	Very high	23 Å²	23	35.3 Å²	35.3	9%	0.087	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-51.1	175.9	-72.2	174.4	168.2	86.7	0.1	110.9	L574 N576 V577 E578 Y582 V583 D584 E596 S597 Y617	L574-R580 HydrophobicContact CB-CG 4.08Å; L574-R580 HydrophobicContact CD1-CB 4.42Å; L574-R580 HydrophobicContact CD1-CG 3.85Å; L574-R580 PolarHBondContact O-NH1 2.73Å; L574-R580 PolarHBondContact O-NH2 3.36Å; N576-R580 VanDerWaalsContact N-NH1 3.14Å; N576-R580 WeakPolarHBondContact O-CG 3.48Å; N576-R580 PolarHBondContact O-NH1 2.96Å; V577-R580 WeakPolarHBondContact O-CB 3.31Å; V577-R580 PolarHBondContact O-N 3.09Å; V577-R580 VanDerWaalsContact O-N 3.08Å; E578-R580 VanDerWaalsContact C-N 3.33Å; E578-R580 PolarHBondContact O-N 2.93Å; R580-Y582 VanDerWaalsContact C-N 3.28Å; R580-Y582 PolarHBondContact O-N 2.79Å; R580-V583 PolarHBondContact O-N 3.13Å; R580-D584 VanDerWaalsContact O-CB 3.32Å; R580-D584 WeakPolarHBondContact O-CB 3.42Å; R580-D584 PolarHBondContact O-N 3.24Å; R580-E596 WeakPolarHBondContact CD-OE1 3.17Å; R580-E596 IonicContact CZ-OE1 2.64Å; R580-E596 IonicContact NE-OE1 3.88Å; R580-E596 PolarHBondContact NE-OE1 2.68Å; R580-E596 IonicContact NH2-OE1 2.85Å; R580-S597 PolarHBondContact NH2-O 3.33Å; R580-Y617 HydrophobicContact CB-CD1 4.09Å; R580-Y617 HydrophobicContact CB-CE1 3.61Å
581	T	96.8	Very high	96.5	Very high	32 Å²	32	38.6 Å²	38.6	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-38.1	177.4	-48.1	0	0	0	0	111.4	V577 E578 R585 S618	V577-T581 PolarHBondContact O-N 2.9Å; V577-T581 PolarHBondContact O-OG1 2.79Å; E578-T581 PolarHBondContact O-N 3.27Å; T581-R585 WeakPolarHBondContact O-CG 3.5Å; T581-R585 PolarHBondContact O-N 2.86Å; T581-S618 WeakPolarHBondContact CG2-OG 3.35Å
582	Y	97.4	Very high	96.5	Very high	17 Å²	17	40.2 Å²	40.2	7%	0.067	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-52.1	174.9	177.9	-92.1	0	0	0	111.8	V551 G552 P553 E556 E578 A579 R580 D584 R585 R586	V551-Y582 HydrophobicContact CG1-CD1 3.82Å; V551-Y582 HydrophobicContact CG1-CE1 3.65Å; G552-Y582 VanDerWaalsContact C-CZ 3.4Å; G552-Y582 PolarHBondContact O-OH 3.02Å; P553-Y582 HydrophobicContact CG-CD2 4.12Å; P553-Y582 HydrophobicContact CG-CE2 3.81Å; E556-Y582 VanDerWaalsContact CD-OH 3.28Å; E556-Y582 WeakPolarHBondContact CG-OH 3.4Å; E556-Y582 PolarHBondContact OE1-OH 3.15Å; E578-Y582 PolarHBondContact O-N 3.03Å; A579-Y582 PolarHBondContact O-N 3.48Å; R580-Y582 VanDerWaalsContact C-N 3.28Å; R580-Y582 PolarHBondContact O-N 2.79Å; Y582-D584 VanDerWaalsContact C-N 3.34Å; Y582-D584 PolarHBondContact O-N 2.96Å; Y582-R585 PolarHBondContact O-N 2.93Å; Y582-R586 HydrophobicContact CD1-CG 4.33Å; Y582-R586 HydrophobicContact CE1-CG 3.82Å; Y582-R586 HydrophobicContact CE2-CG 4.45Å; Y582-R586 WeakPolarHBondContact O-CG 3.38Å; Y582-R586 PolarHBondContact O-N 2.83Å; Y582-R586 VanDerWaalsContact O-N 3.14Å
583	V	98.5	Very high	96.5	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-41.9	179.9	175.9	0	0	0	0	111.2	V473 V551 I570 N572 L574 A579 R580 R585 R586 C587 L594	V473-V583 HydrophobicContact CB-CG2 4.49Å; V473-V583 HydrophobicContact CG1-CG2 4.24Å; V473-V583 HydrophobicContact CG2-CG2 4.18Å; V551-V583 HydrophobicContact CG1-CG2 3.95Å; I570-V583 HydrophobicContact CG2-CG1 3.82Å; N572-V583 WeakPolarHBondContact OD1-CG1 3.31Å; L574-V583 HydrophobicContact CD1-CG2 4.36Å; A579-V583 WeakPolarHBondContact O-CG2 3.43Å; A579-V583 PolarHBondContact O-N 3.45Å; R580-V583 PolarHBondContact O-N 3.13Å; V583-R585 PolarHBondContact O-N 3.03Å; V583-R586 CarbonylContact O-C 3.56Å; V583-R586 PolarHBondContact O-N 3.05Å; V583-R586 VanDerWaalsContact O-N 3.14Å; V583-C587 PolarHBondContact O-N 3.14Å; V583-C587 PolarHBondContact O-SG 3.28Å; V583-L594 HydrophobicContact CG1-CD1 4.13Å
584	D	98.4	Very high	96.5	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-56.8	-48.9	176.1	178.5	61.9	0	0	0	112	R580 Y582 R586 C587 V588 L594 S616 Y617 S618	R580-D584 VanDerWaalsContact O-CB 3.32Å; R580-D584 WeakPolarHBondContact O-CB 3.42Å; R580-D584 PolarHBondContact O-N 3.24Å; Y582-D584 VanDerWaalsContact C-N 3.34Å; Y582-D584 PolarHBondContact O-N 2.96Å; D584-R586 VanDerWaalsContact C-N 3.29Å; D584-R586 PolarHBondContact O-N 3.1Å; D584-C587 WeakPolarHBondContact O-CB 3.36Å; D584-C587 PolarHBondContact O-N 3.07Å; D584-V588 WeakPolarHBondContact O-CG2 3.32Å; D584-V588 PolarHBondContact O-N 3.48Å; D584-L594 HydrophobicContact CB-CD2 4.09Å; D584-S616 WeakPolarHBondContact OD1-CB 3.33Å; D584-Y617 HydrophobicContact CB-CD1 4.44Å; D584-Y617 PolarHBondContact OD1-N 3.02Å; D584-Y617 PolarHBondContact OD2-N 3.37Å; D584-S618 VanDerWaalsContact OD2-CB 3.24Å; D584-S618 WeakPolarHBondContact OD2-CB 3.37Å; D584-S618 PolarHBondContact OD2-N 3.42Å; D584-S618 PolarHBondContact OD2-OG 3.21Å
585	R	97	Very high	96.6	Very high	136 Å²	136	39.8 Å²	39.8	51%	0.513	19%	0.191	S	C	.	.	H	α-helix	trans	-57.6	-41.2	175	-74.2	-171.1	-58.4	-104	0.2	112.3	T581 Y582 V583 Y589	T581-R585 WeakPolarHBondContact O-CG 3.5Å; T581-R585 PolarHBondContact O-N 2.86Å; Y582-R585 PolarHBondContact O-N 2.93Å; V583-R585 PolarHBondContact O-N 3.03Å; R585-Y589 VanDerWaalsContact O-CB 3.31Å; R585-Y589 WeakPolarHBondContact O-CB 3.36Å; R585-Y589 PolarHBondContact O-N 3.33Å
586	R	97	Very high	96.9	Very high	32 Å²	32	34.8 Å²	34.8	12%	0.121	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-39.5	175.5	-60.1	-61.7	-72.8	-166.1	-4.9	111.1	E556 F564 Y582 V583 D584 Y589 Y590	E556-R586 IonicContact OE1-CZ 2.87Å; E556-R586 IonicContact OE1-NH1 3.77Å; E556-R586 PolarHBondContact OE1-NH1 2.8Å; E556-R586 IonicContact OE2-CZ 2.96Å; E556-R586 IonicContact OE2-NH1 3.85Å; E556-R586 PolarHBondContact OE2-NH1 3.23Å; E556-R586 IonicContact OE2-NH2 3.89Å; F564-R586 HydrophobicContact CE1-CB 3.9Å; F564-R586 HydrophobicContact CZ-CB 3.86Å; F564-R586 HydrophobicContact CZ-CG 4.23Å; Y582-R586 HydrophobicContact CD1-CG 4.33Å; Y582-R586 HydrophobicContact CE1-CG 3.82Å; Y582-R586 HydrophobicContact CE2-CG 4.45Å; Y582-R586 WeakPolarHBondContact O-CG 3.38Å; Y582-R586 PolarHBondContact O-N 2.83Å; Y582-R586 VanDerWaalsContact O-N 3.14Å; V583-R586 CarbonylContact O-C 3.56Å; V583-R586 PolarHBondContact O-N 3.05Å; V583-R586 VanDerWaalsContact O-N 3.14Å; D584-R586 VanDerWaalsContact C-N 3.29Å; D584-R586 PolarHBondContact O-N 3.1Å; R586-Y589 PolarHBondContact O-N 3.1Å; R586-Y590 HydrophobicContact CB-CD2 4.41Å; R586-Y590 PolarHBondContact NH2-OH 3.5Å; R586-Y590 WeakPolarHBondContact O-CD2 3.26Å; R586-Y590 PolarHBondContact O-N 3.01Å
587	C	98.5	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-42.6	177.2	-65.1	0	0	0	0	112	V583 D584 Y590 R591 K592 L594	V583-C587 PolarHBondContact O-N 3.14Å; V583-C587 PolarHBondContact O-SG 3.28Å; D584-C587 WeakPolarHBondContact O-CB 3.36Å; D584-C587 PolarHBondContact O-N 3.07Å; C587-Y590 PolarHBondContact O-N 2.97Å; C587-R591 CarbonylContact O-C 3.56Å; C587-R591 VanDerWaalsContact O-CA 3.31Å; C587-R591 WeakPolarHBondContact O-CA 3.15Å; C587-R591 PolarHBondContact O-N 2.87Å; C587-K592 PolarHBondContact O-N 3.44Å; C587-L594 HydrophobicContact CB-CB 4.08Å
588	V	97.6	Very high	97.5	Very high	19 Å²	19	28.6 Å²	28.6	12%	0.115	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-49.5	172.2	175.4	0	0	0	0	110.6	D584 R591 L956 W957	D584-V588 WeakPolarHBondContact O-CG2 3.32Å; D584-V588 PolarHBondContact O-N 3.48Å; V588-R591 PolarHBondContact O-N 3.05Å; V588-L956 HydrophobicContact CB-CD1 4.39Å; V588-L956 HydrophobicContact CG1-CD1 3.62Å; V588-L956 HydrophobicContact CG2-CD1 3.88Å; V588-W957 HydrophobicContact CB-CZ3 4.26Å; V588-W957 HydrophobicContact CG1-CE3 4.38Å; V588-W957 HydrophobicContact CG1-CZ3 4.49Å; V588-W957 HydrophobicContact CG2-CH2 4.06Å; V588-W957 HydrophobicContact CG2-CZ3 4.18Å
589	Y	95.9	Very high	97.7	Very high	29 Å²	29	23.5 Å²	23.5	11%	0.114	11%	0.108	C	C	.	.	H	α-helix	trans	-60.3	-47.5	178	178.7	-99.9	0	0	0	112.5	R585 R586 R591 R959 V1029 V1031 Y1048 R1050	R585-Y589 VanDerWaalsContact O-CB 3.31Å; R585-Y589 WeakPolarHBondContact O-CB 3.36Å; R585-Y589 PolarHBondContact O-N 3.33Å; R586-Y589 PolarHBondContact O-N 3.1Å; Y589-R591 VanDerWaalsContact C-N 3.27Å; Y589-R591 PolarHBondContact O-N 2.82Å; Y589-R959 PolarHBondContact O-NH1 3.46Å; Y589-V1029 WeakPolarHBondContact OH-CB 3.46Å; Y589-V1029 WeakPolarHBondContact OH-CG1 3.48Å; Y589-V1031 HydrophobicContact CD2-CG2 4.05Å; Y589-V1031 HydrophobicContact CE2-CG2 3.47Å; Y589-V1031 VanDerWaalsContact CE2-CG2 3.47Å; Y589-Y1048 HydrophobicContact CD2-CE2 4.39Å; Y589-R1050 HydrophobicContact CE2-CG 4.37Å; Y589-R1050 PolarHBondContact OH-NE 3.49Å
590	Y	96.8	Very high	97.7	Very high	17 Å²	17	27.1 Å²	27.1	7%	0.067	13%	0.125	C	C	.	.	H	α-helix	trans	-85.3	1.9	180	-67.3	-70.5	0	0	0	114	D561 F564 E565 R586 C587 K592	D561-Y590 WeakPolarHBondContact CA-OH 3.34Å; D561-Y590 HydrophobicContact CB-CE1 4.16Å; D561-Y590 WeakPolarHBondContact OD1-CE1 3.43Å; D561-Y590 PolarHBondContact OD1-OH 2.97Å; F564-Y590 HydrophobicContact CB-CD1 3.76Å; F564-Y590 HydrophobicContact CB-CD2 3.29Å; F564-Y590 HydrophobicContact CB-CE1 3.95Å; F564-Y590 HydrophobicContact CB-CE2 3.48Å; F564-Y590 VanDerWaalsContact CB-CE2 3.48Å; F564-Y590 HydrophobicContact CB-CG 3.44Å; F564-Y590 VanDerWaalsContact CB-CG 3.44Å; F564-Y590 AromaticContact CD1-CD2 3.54Å; F564-Y590 HydrophobicContact CD1-CD2 3.54Å; F564-Y590 AromaticContact CD1-CE2 4Å; F564-Y590 HydrophobicContact CD1-CE2 4Å; F564-Y590 HydrophobicContact CD1-CG 4.29Å; F564-Y590 AromaticContact CD2-CD2 3.88Å; F564-Y590 HydrophobicContact CD2-CD2 3.88Å; F564-Y590 AromaticContact CD2-CE2 3.43Å; F564-Y590 HydrophobicContact CD2-CE2 3.43Å; F564-Y590 VanDerWaalsContact CD2-CE2 3.43Å; F564-Y590 HydrophobicContact CE1-CD2 4.29Å; F564-Y590 HydrophobicContact CE2-CE2 4.1Å; F564-Y590 AromaticContact CG-CD2 3.3Å; F564-Y590 HydrophobicContact CG-CD2 3.3Å; F564-Y590 AromaticContact CG-CE2 3.37Å; F564-Y590 HydrophobicContact CG-CE2 3.37Å; F564-Y590 AromaticContact CG-CG 4Å; F564-Y590 HydrophobicContact CG-CG 4Å; E565-Y590 HydrophobicContact CG-CD1 4.32Å; R586-Y590 HydrophobicContact CB-CD2 4.41Å; R586-Y590 PolarHBondContact NH2-OH 3.5Å; R586-Y590 WeakPolarHBondContact O-CD2 3.26Å; R586-Y590 PolarHBondContact O-N 3.01Å; C587-Y590 PolarHBondContact O-N 2.97Å; Y590-K592 VanDerWaalsContact C-N 3.3Å; Y590-K592 WeakPolarHBondContact O-CE 3.22Å; Y590-K592 PolarHBondContact O-N 3.01Å
591	R	97.9	Very high	97.6	Very high	68 Å²	68	26.3 Å²	26.3	26%	0.257	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	50.1	-175.4	-60.1	164.8	174.7	173.5	-8.9	111.1	C587 V588 Y589 P611 Y612 W957 E961	C587-R591 CarbonylContact O-C 3.56Å; C587-R591 VanDerWaalsContact O-CA 3.31Å; C587-R591 WeakPolarHBondContact O-CA 3.15Å; C587-R591 PolarHBondContact O-N 2.87Å; V588-R591 PolarHBondContact O-N 3.05Å; Y589-R591 VanDerWaalsContact C-N 3.27Å; Y589-R591 PolarHBondContact O-N 2.82Å; R591-P611 HydrophobicContact CB-CB 4.34Å; R591-P611 VanDerWaalsContact O-CG 3.29Å; R591-P611 WeakPolarHBondContact O-CG 3.15Å; R591-Y612 VanDerWaalsContact CD-OH 3.31Å; R591-Y612 WeakPolarHBondContact CD-OH 3.46Å; R591-Y612 HydrophobicContact CG-CE2 4.45Å; R591-Y612 PolarHBondContact NE-OH 2.74Å; R591-Y612 PolarHBondContact NH1-OH 3.43Å; R591-Y612 PolarHBondContact NH2-OH 2.98Å; R591-W957 PolarHBondContact NE-O 2.96Å; R591-E961 IonicContact NH1-OE1 2.9Å
592	K	98.4	Very high	97.7	Very high	35 Å²	35	25.2 Å²	25.2	15%	0.152	12%	0.118	C	C	.	.			trans	-109.1	138.7	180	-59.3	-58.5	177.6	168.5	0	110.9	F564 E565 L567 I570 C587 Y590	F564-K592 WeakPolarHBondContact O-CE 3.33Å; E565-K592 PolarHBondContact O-NZ 3.38Å; L567-K592 WeakPolarHBondContact O-CD 3.46Å; L567-K592 WeakPolarHBondContact O-CE 3.21Å; L567-K592 PolarHBondContact O-NZ 3.3Å; I570-K592 HydrophobicContact CD1-CB 3.4Å; I570-K592 HydrophobicContact CD1-CG 4.06Å; C587-K592 PolarHBondContact O-N 3.44Å; Y590-K592 VanDerWaalsContact C-N 3.3Å; Y590-K592 WeakPolarHBondContact O-CE 3.22Å; Y590-K592 PolarHBondContact O-N 3.01Å
593	P	98.6	Very high	97.7	Very high	25 Å²	25	26.8 Å²	26.8	16%	0.162	13%	0.125	C	C	.	.			trans	-59	138.8	169.8	-20.8	31.9	0	0	0	111.4	D568 G569 I570 V609 L914	D568-P593 WeakPolarHBondContact O-CD 3.45Å; G569-P593 WeakPolarHBondContact CA-O 2.95Å; I570-P593 PolarHBondContact N-O 2.93Å; P593-V609 CarbonylContact C-O 3.52Å; P593-V609 WeakPolarHBondContact CA-O 3.48Å; P593-L914 HydrophobicContact CB-CD1 3.87Å; P593-L914 HydrophobicContact CB-CD2 4.27Å
594	L	98.9	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.1	174.9	170	65.1	0	0	0	109.8	I570 N572 V583 D584 C587 V609	I570-L594 HydrophobicContact CB-CD1 4.11Å; I570-L594 HydrophobicContact CG2-CD1 3.93Å; I570-L594 WeakPolarHBondContact O-CA 3.36Å; N572-L594 HydrophobicContact CB-CD1 4.4Å; V583-L594 HydrophobicContact CG1-CD1 4.13Å; D584-L594 HydrophobicContact CB-CD2 4.09Å; C587-L594 HydrophobicContact CB-CB 4.08Å; L594-V609 HydrophobicContact CB-CB 4.08Å; L594-V609 PolarHBondContact N-O 2.7Å; L594-V609 PolarHBondContact O-N 2.82Å
595	L	98.8	Very high	97.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	106.1	169.9	-63.9	171.7	0	0	0	108.8	Y470 I570 A571 N572 V608 V907 E910 L911 L914	Y470-L595 HydrophobicContact CE1-CD1 4Å; I570-L595 PolarHBondContact O-N 3Å; A571-L595 WeakPolarHBondContact CA-O 3.3Å; A571-L595 HydrophobicContact CB-CB 4.18Å; N572-L595 PolarHBondContact N-O 3.05Å; L595-V608 HydrophobicContact CD2-CG2 3.98Å; L595-V907 HydrophobicContact CB-CG1 3.8Å; L595-V907 HydrophobicContact CD1-CG1 3.96Å; L595-V907 HydrophobicContact CG-CG1 4.34Å; L595-E910 HydrophobicContact CD2-CB 3.92Å; L595-L911 HydrophobicContact CD1-CB 3.82Å; L595-L911 HydrophobicContact CD1-CD1 4.21Å; L595-L911 HydrophobicContact CD1-CG 4.44Å; L595-L914 HydrophobicContact CD2-CD1 3.92Å; L595-L914 HydrophobicContact CG-CD1 4.3Å
596	E	98.6	Very high	97.8	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144	-178.1	175.7	53.7	-129	0	0	111.3	N572 R580 V606 Q607 Y617	N572-E596 WeakPolarHBondContact CB-OE2 3.39Å; N572-E596 PolarHBondContact ND2-OE2 3.44Å; R580-E596 WeakPolarHBondContact CD-OE1 3.17Å; R580-E596 IonicContact CZ-OE1 2.64Å; R580-E596 IonicContact NE-OE1 3.88Å; R580-E596 PolarHBondContact NE-OE1 2.68Å; R580-E596 IonicContact NH2-OE1 2.85Å; E596-V606 WeakPolarHBondContact O-CA 3.25Å; E596-Q607 WeakPolarHBondContact CA-O 3.22Å; E596-Q607 HydrophobicContact CB-CB 4.25Å; E596-Q607 WeakPolarHBondContact CB-O 3.49Å; E596-Q607 PolarHBondContact N-O 3.32Å; E596-Q607 PolarHBondContact O-N 3.21Å; E596-Y617 HydrophobicContact CG-CD2 3.9Å; E596-Y617 HydrophobicContact CG-CE2 4.26Å
597	S	98.3	Very high	97.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	151.1	176.3	61.6	0	0	0	0	114.3	N572 R580 N605 V903	N572-S597 PolarHBondContact O-OG 3.04Å; R580-S597 PolarHBondContact NH2-O 3.33Å; S597-N605 VanDerWaalsContact CA-O 3.29Å; S597-N605 WeakPolarHBondContact CA-O 3.39Å; S597-V903 VanDerWaalsContact CB-CG1 3.46Å
598	G	97.2	Very high	97.8	Very high	6 Å²	6	22.4 Å²	22.4	6%	0.062	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157	-178.8	0	0	0	0	0	112.8	G604 N605	G598-G604 VanDerWaalsContact O-CA 3.26Å; G598-G604 WeakPolarHBondContact O-CA 3.3Å; G598-N605 WeakPolarHBondContact CA-OD1 3.19Å; G598-N605 PolarHBondContact N-O 3.32Å; G598-N605 PolarHBondContact N-OD1 3.27Å; G598-N605 PolarHBondContact O-N 2.87Å; G598-N605 PolarHBondContact O-OD1 2.91Å
599	T	97.5	Very high	97.9	Very high	34 Å²	34	21.5 Å²	21.5	21%	0.209	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	141.5	175.3	61.4	0	0	0	0	111.6	I478 K603 T899 V903	I478-T599 HydrophobicContact CD1-CG2 4.27Å; I478-T599 HydrophobicContact CG1-CG2 4.49Å; T599-K603 CarbonylContact C-O 3.54Å; T599-K603 WeakPolarHBondContact CA-O 3.09Å; T599-T899 HydrophobicContact CG2-CG2 4.06Å; T599-V903 HydrophobicContact CG2-CB 4.31Å; T599-V903 HydrophobicContact CG2-CG2 4.1Å
600	L	95.5	Very high	98	Very high	90 Å²	90	20.8 Å²	20.8	47%	0.471	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	99.6	171	177.7	64.7	0	0	0	109.2	T602 K603 I893	L600-T602 PolarHBondContact O-N 2.95Å; L600-T602 VanDerWaalsContact O-N 3.16Å; L600-K603 PolarHBondContact N-O 2.8Å; L600-K603 WeakPolarHBondContact O-CB 3.37Å; L600-K603 PolarHBondContact O-N 3.21Å; L600-I893 HydrophobicContact CD1-CG2 3.78Å
601	G	96.3	Very high	98	Very high	7 Å²	7	21.1 Å²	21.1	7%	0.072	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	58.6	-116.1	-174.7	0	0	0	0	0	111.9	P894 I896 T899	G601-P894 PolarHBondContact N-O 3.31Å; G601-I896 WeakPolarHBondContact O-CG2 3.36Å; G601-T899 WeakPolarHBondContact O-CB 3.45Å; G601-T899 PolarHBondContact O-OG1 3.07Å
602	T	98.1	Very high	98	Very high	9 Å²	9	23.2 Å²	23.2	6%	0.055	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-11.6	175.8	53.2	0	0	0	0	114	V55 F413 L600 T899 D930 L931 A932	V55-T602 HydrophobicContact CG1-CG2 3.99Å; F413-T602 HydrophobicContact CD2-CG2 4.28Å; F413-T602 HydrophobicContact CE1-CG2 4.14Å; F413-T602 HydrophobicContact CE2-CG2 3.7Å; F413-T602 HydrophobicContact CZ-CG2 3.62Å; L600-T602 PolarHBondContact O-N 2.95Å; L600-T602 VanDerWaalsContact O-N 3.16Å; T602-T899 WeakPolarHBondContact CA-OG1 3.43Å; T602-D930 WeakPolarHBondContact CB-OD1 3.32Å; T602-D930 PolarHBondContact OG1-OD1 3.2Å; T602-L931 HydrophobicContact CG2-CB 4.39Å; T602-L931 PolarHBondContact O-N 3.47Å; T602-A932 VanDerWaalsContact CB-N 3.29Å; T602-A932 HydrophobicContact CG2-CB 4.03Å; T602-A932 VanDerWaalsContact OG1-CB 3.3Å; T602-A932 WeakPolarHBondContact OG1-CB 3.29Å; T602-A932 PolarHBondContact OG1-N 3.49Å
603	K	98.4	Very high	97.9	Very high	49 Å²	49	23.1 Å²	23.1	21%	0.213	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	142.2	-178.5	-57.7	166.8	-173.8	167.2	0	110.4	E209 T599 L600 T899 V929 D930	E209-K603 WeakPolarHBondContact OE1-CE 3.13Å; E209-K603 IonicContact OE1-NZ 2.69Å; E209-K603 PolarHBondContact OE1-NZ 2.75Å; E209-K603 IonicContact OE2-NZ 2.8Å; E209-K603 PolarHBondContact OE2-NZ 2.83Å; T599-K603 CarbonylContact C-O 3.54Å; T599-K603 WeakPolarHBondContact CA-O 3.09Å; L600-K603 PolarHBondContact N-O 2.8Å; L600-K603 WeakPolarHBondContact O-CB 3.37Å; L600-K603 PolarHBondContact O-N 3.21Å; K603-T899 WeakPolarHBondContact O-CG2 3.3Å; K603-V929 CarbonylContact C-O 3.45Å; K603-V929 VanDerWaalsContact CA-O 3.25Å; K603-V929 WeakPolarHBondContact CA-O 3.37Å; K603-D930 HydrophobicContact CG-CB 4.18Å
604	G	98	Very high	97.9	Very high	3 Å²	3	22 Å²	22	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	154.2	175.6	0	0	0	0	0	112.2	G598 Y928 V929	G598-G604 VanDerWaalsContact O-CA 3.26Å; G598-G604 WeakPolarHBondContact O-CA 3.3Å; G604-Y928 CarbonylContact O-C 3.54Å; G604-Y928 WeakPolarHBondContact O-CA 3.44Å; G604-V929 PolarHBondContact N-O 2.89Å; G604-V929 PolarHBondContact O-N 2.89Å
605	N	98	Very high	97.8	Very high	56 Å²	56	23.5 Å²	23.5	30%	0.299	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.1	176.7	71.8	-70	0	0	0	111.7	S597 G598 A927	S597-N605 VanDerWaalsContact CA-O 3.29Å; S597-N605 WeakPolarHBondContact CA-O 3.39Å; G598-N605 WeakPolarHBondContact CA-OD1 3.19Å; G598-N605 PolarHBondContact N-O 3.32Å; G598-N605 PolarHBondContact N-OD1 3.27Å; G598-N605 PolarHBondContact O-N 2.87Å; G598-N605 PolarHBondContact O-OD1 2.91Å; N605-A927 CarbonylContact C-O 3.58Å; N605-A927 WeakPolarHBondContact CA-O 3.48Å
606	V	98.6	Very high	97.7	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.4	170.8	176.8	0	0	0	0	108.5	E596 V903 L906 V907 N926 A927	E596-V606 WeakPolarHBondContact O-CA 3.25Å; V606-V903 HydrophobicContact CG2-CG1 3.83Å; V606-L906 HydrophobicContact CG2-CB 3.76Å; V606-V907 HydrophobicContact CB-CG2 4.49Å; V606-V907 HydrophobicContact CG1-CG2 3.89Å; V606-V907 HydrophobicContact CG2-CG2 3.85Å; V606-N926 CarbonylContact O-C 3.58Å; V606-N926 VanDerWaalsContact O-CA 3.3Å; V606-N926 WeakPolarHBondContact O-CA 3.22Å; V606-A927 HydrophobicContact CB-CB 4.21Å; V606-A927 PolarHBondContact N-O 3.16Å; V606-A927 PolarHBondContact O-N 3.46Å
607	Q	98.4	Very high	97.7	Very high	20 Å²	20	24.6 Å²	24.6	9%	0.093	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.6	173.4	-178.8	175	7.8	0	0	109.6	E596 V609 N926	E596-Q607 WeakPolarHBondContact CA-O 3.22Å; E596-Q607 HydrophobicContact CB-CB 4.25Å; E596-Q607 WeakPolarHBondContact CB-O 3.49Å; E596-Q607 PolarHBondContact N-O 3.32Å; E596-Q607 PolarHBondContact O-N 3.21Å; Q607-V609 HydrophobicContact CG-CG2 4.38Å; Q607-N926 VanDerWaalsContact CA-OD1 3.3Å; Q607-N926 WeakPolarHBondContact CA-OD1 3.41Å
608	V	98.3	Very high	97.5	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.3	174.4	63.4	0	0	0	0	109.9	L595 I610 E910 L914 F924 N926 P941	L595-V608 HydrophobicContact CD2-CG2 3.98Å; V608-I610 HydrophobicContact CG1-CD1 4.44Å; V608-I610 HydrophobicContact CG2-CD1 3.83Å; V608-I610 HydrophobicContact CG2-CG1 3.64Å; V608-E910 HydrophobicContact CB-CB 4.41Å; V608-E910 HydrophobicContact CB-CG 4.48Å; V608-E910 HydrophobicContact CG2-CB 4.43Å; V608-L914 HydrophobicContact CG2-CD1 4.48Å; V608-F924 HydrophobicContact CG1-CB 3.96Å; V608-F924 HydrophobicContact CG1-CD1 4.3Å; V608-F924 HydrophobicContact CG1-CG 4.45Å; V608-F924 HydrophobicContact CG2-CD1 4.46Å; V608-N926 PolarHBondContact N-OD1 3.33Å; V608-P941 HydrophobicContact CG1-CG 3.69Å
609	V	98.5	Very high	97.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115	179.5	173	0	0	0	0	108.3	P593 L594 Q607 T614 W957	P593-V609 CarbonylContact C-O 3.52Å; P593-V609 WeakPolarHBondContact CA-O 3.48Å; L594-V609 HydrophobicContact CB-CB 4.08Å; L594-V609 PolarHBondContact N-O 2.7Å; L594-V609 PolarHBondContact O-N 2.82Å; Q607-V609 HydrophobicContact CG-CG2 4.38Å; V609-T614 WeakPolarHBondContact CA-OG1 3.3Å; V609-W957 HydrophobicContact CG1-CH2 3.74Å; V609-W957 HydrophobicContact CG1-CZ2 3.75Å
610	I	98.4	Very high	96.9	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.072	17%	0.166	C	C	.	.			trans	-123.6	122.9	-170.7	-47.1	-179.5	0	0	0	109.5	V608 Y612 L613 T614 L914 F924	V608-I610 HydrophobicContact CG1-CD1 4.44Å; V608-I610 HydrophobicContact CG2-CD1 3.83Å; V608-I610 HydrophobicContact CG2-CG1 3.64Å; I610-Y612 PolarHBondContact O-N 3.44Å; I610-L613 HydrophobicContact CB-CB 4.08Å; I610-L613 HydrophobicContact CB-CD2 4.44Å; I610-L613 HydrophobicContact CD1-CD2 4.09Å; I610-L613 HydrophobicContact CG2-CB 4.06Å; I610-L613 HydrophobicContact CG2-CD2 4.22Å; I610-L613 PolarHBondContact O-N 2.82Å; I610-L613 VanDerWaalsContact O-N 3.08Å; I610-T614 HydrophobicContact CB-CG2 4.06Å; I610-T614 HydrophobicContact CD1-CG2 4.31Å; I610-T614 HydrophobicContact CG1-CG2 4.04Å; I610-T614 PolarHBondContact N-OG1 2.81Å; I610-T614 PolarHBondContact O-N 2.89Å; I610-T614 VanDerWaalsContact O-N 3.08Å; I610-L914 HydrophobicContact CD1-CD2 3.74Å; I610-L914 HydrophobicContact CG1-CD2 3.92Å; I610-L914 HydrophobicContact CG2-CD2 4.18Å; I610-F924 HydrophobicContact CD1-CB 4.43Å; I610-F924 HydrophobicContact CD1-CD1 3.43Å; I610-F924 VanDerWaalsContact CD1-CD1 3.43Å; I610-F924 HydrophobicContact CD1-CD2 3.58Å; I610-F924 HydrophobicContact CD1-CE1 3.35Å; I610-F924 HydrophobicContact CD1-CE2 3.52Å; I610-F924 HydrophobicContact CD1-CG 3.53Å; I610-F924 HydrophobicContact CD1-CZ 3.4Å
611	P	97.9	Very high	96.3	Very high	24 Å²	24	35.2 Å²	35.2	16%	0.156	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	130.5	177.8	-27.7	33.5	0	0	0	112.6	R591 L613 W957	R591-P611 HydrophobicContact CB-CB 4.34Å; R591-P611 VanDerWaalsContact O-CG 3.29Å; R591-P611 WeakPolarHBondContact O-CG 3.15Å; P611-L613 PolarHBondContact O-N 3.45Å; P611-L613 VanDerWaalsContact O-N 3.11Å; P611-W957 HydrophobicContact CB-CD2 4.33Å; P611-W957 HydrophobicContact CB-CE3 3.91Å; P611-W957 HydrophobicContact CB-CH2 4.38Å; P611-W957 HydrophobicContact CB-CZ3 3.89Å; P611-W957 HydrophobicContact CG-CE3 4.36Å; P611-W957 HydrophobicContact CG-CH2 4.15Å; P611-W957 HydrophobicContact CG-CZ3 3.84Å
612	Y	96.8	Very high	95.7	Very high	112 Å²	112	39.5 Å²	39.5	44%	0.439	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	6.1	178.5	-53.2	-79.4	0	0	0	116.4	R591 I610 W957	R591-Y612 VanDerWaalsContact CD-OH 3.31Å; R591-Y612 WeakPolarHBondContact CD-OH 3.46Å; R591-Y612 HydrophobicContact CG-CE2 4.45Å; R591-Y612 PolarHBondContact NE-OH 2.74Å; R591-Y612 PolarHBondContact NH1-OH 3.43Å; R591-Y612 PolarHBondContact NH2-OH 2.98Å; I610-Y612 PolarHBondContact O-N 3.44Å; Y612-W957 HydrophobicContact CD1-CB 3.51Å; Y612-W957 HydrophobicContact CD1-CG 4.34Å; Y612-W957 HydrophobicContact CE1-CB 3.62Å; Y612-W957 HydrophobicContact CG-CB 4.06Å; Y612-W957 HydrophobicContact CG-CG 4.5Å; Y612-W957 VanDerWaalsContact N-CD1 3.26Å; Y612-W957 VanDerWaalsContact N-CG 3.26Å
613	L	97.1	Very high	95	Very high	33 Å²	33	44.8 Å²	44.8	17%	0.173	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-40.1	-176.6	-177.9	60.8	0	0	0	112.6	I610 P611 K919 L921 F924 P944	I610-L613 HydrophobicContact CB-CB 4.08Å; I610-L613 HydrophobicContact CB-CD2 4.44Å; I610-L613 HydrophobicContact CD1-CD2 4.09Å; I610-L613 HydrophobicContact CG2-CB 4.06Å; I610-L613 HydrophobicContact CG2-CD2 4.22Å; I610-L613 PolarHBondContact O-N 2.82Å; I610-L613 VanDerWaalsContact O-N 3.08Å; P611-L613 PolarHBondContact O-N 3.45Å; P611-L613 VanDerWaalsContact O-N 3.11Å; L613-K919 WeakPolarHBondContact CD1-O 3.45Å; L613-L921 HydrophobicContact CD1-CB 4.13Å; L613-L921 HydrophobicContact CD1-CD1 4.18Å; L613-L921 HydrophobicContact CG-CD1 3.99Å; L613-F924 HydrophobicContact CD2-CD2 3.92Å; L613-F924 HydrophobicContact CD2-CE2 3.67Å; L613-P944 VanDerWaalsContact O-CD 3.26Å; L613-P944 WeakPolarHBondContact O-CD 3.37Å
614	T	98	Very high	94.3	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	27%	0.269	C	S	.	.	S	Bend	trans	-119.2	167.9	-179.5	72	0	0	0	0	111.8	V609 I610 L921 P941 V942 W957	V609-T614 WeakPolarHBondContact CA-OG1 3.3Å; I610-T614 HydrophobicContact CB-CG2 4.06Å; I610-T614 HydrophobicContact CD1-CG2 4.31Å; I610-T614 HydrophobicContact CG1-CG2 4.04Å; I610-T614 PolarHBondContact N-OG1 2.81Å; I610-T614 PolarHBondContact O-N 2.89Å; I610-T614 VanDerWaalsContact O-N 3.08Å; T614-L921 HydrophobicContact CG2-CD1 3.8Å; T614-P941 HydrophobicContact CG2-CB 3.65Å; T614-P941 HydrophobicContact CG2-CG 4.31Å; T614-V942 CarbonylContact C-O 3.57Å; T614-V942 VanDerWaalsContact CA-O 3.26Å; T614-V942 WeakPolarHBondContact CA-O 3.23Å; T614-W957 PolarHBondContact O-NE1 3.11Å
615	E	96.9	Very high	93.3	Very high	32 Å²	32	55.3 Å²	55.3	15%	0.15	30%	0.302	C	S	.	.			trans	-64.2	171.2	160	72.7	179.4	175.7	0	0	112.1	V942	E615-V942 HydrophobicContact CG-CB 4.09Å; E615-V942 PolarHBondContact N-O 3.24Å
616	S	97.7	Very high	92.2	Very high	10 Å²	10	62 Å²	62	7%	0.07	33%	0.328	C	S	.	.			trans	-91.8	166.9	174.3	69.5	0	0	0	0	111.4	D584 S618 S619	D584-S616 WeakPolarHBondContact OD1-CB 3.33Å; S616-S618 PolarHBondContact O-N 3.04Å; S616-S619 PolarHBondContact N-OG 2.71Å; S616-S619 WeakPolarHBondContact O-CB 3.21Å; S616-S619 PolarHBondContact O-N 2.97Å; S616-S619 VanDerWaalsContact O-N 3.16Å; S616-S619 PolarHBondContact O-OG 3.07Å; S616-S619 PolarHBondContact OG-N 2.95Å; S616-S619 PolarHBondContact OG-OG 3.43Å
617	Y	97.2	Very high	91.4	Very high	15 Å²	15	67.1 Å²	67.1	6%	0.059	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-58	-41.5	173.2	171.5	-101.3	0	0	0	110.8	R580 D584 E596 S619 S620 D622	R580-Y617 HydrophobicContact CB-CD1 4.09Å; R580-Y617 HydrophobicContact CB-CE1 3.61Å; D584-Y617 HydrophobicContact CB-CD1 4.44Å; D584-Y617 PolarHBondContact OD1-N 3.02Å; D584-Y617 PolarHBondContact OD2-N 3.37Å; E596-Y617 HydrophobicContact CG-CD2 3.9Å; E596-Y617 HydrophobicContact CG-CE2 4.26Å; Y617-S619 PolarHBondContact O-N 3.44Å; Y617-S620 PolarHBondContact O-N 3.37Å; Y617-S620 PolarHBondContact O-OG 2.94Å; Y617-D622 PolarHBondContact OH-OD2 3.5Å
618	S	95.6	Very high	90.9	Very high	51 Å²	51	69.5 Å²	69.5	36%	0.357	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-74.5	-3.5	-178.3	-49	0	0	0	0	114.3	T581 D584 S616 S620	T581-S618 WeakPolarHBondContact CG2-OG 3.35Å; D584-S618 VanDerWaalsContact OD2-CB 3.24Å; D584-S618 WeakPolarHBondContact OD2-CB 3.37Å; D584-S618 PolarHBondContact OD2-N 3.42Å; D584-S618 PolarHBondContact OD2-OG 3.21Å; S616-S618 PolarHBondContact O-N 3.04Å; S618-S620 VanDerWaalsContact C-N 3.31Å
619	S	93.4	Very high	90.4	Very high	58 Å²	58	71.8 Å²	71.8	41%	0.406	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-74.3	-24	176.7	-61.9	0	0	0	0	112.5	S616 Y617	S616-S619 PolarHBondContact N-OG 2.71Å; S616-S619 WeakPolarHBondContact O-CB 3.21Å; S616-S619 PolarHBondContact O-N 2.97Å; S616-S619 VanDerWaalsContact O-N 3.16Å; S616-S619 PolarHBondContact O-OG 3.07Å; S616-S619 PolarHBondContact OG-N 2.95Å; S616-S619 PolarHBondContact OG-OG 3.43Å; Y617-S619 PolarHBondContact O-N 3.44Å
620	S	87.9	Confident	89.8	Confident	49 Å²	49	74.2 Å²	74.2	34%	0.343	41%	0.409	S	S	.	.	S	Bend	trans	-106.1	144.4	175.6	57.5	0	0	0	0	111.3	Y617 S618	Y617-S620 PolarHBondContact O-N 3.37Å; Y617-S620 PolarHBondContact O-OG 2.94Å; S618-S620 VanDerWaalsContact C-N 3.31Å
621	Q	83.1	Confident	89.3	Confident	195 Å²	195	74.2 Å²	74.2	91%	0.911	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-101.9	121.1	174.4	-84.8	-174.9	-3.8	0	0	111.2
622	D	83	Confident	89	Confident	97 Å²	97	74 Å²	74	52%	0.519	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-73.6	149.5	165.5	-73.8	-44.3	0	0	0	110.6	Y617	Y617-D622 PolarHBondContact OH-OD2 3.5Å
623	P	83.7	Confident	88.8	Confident	119 Å²	119	69.7 Å²	69.7	77%	0.773	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-56.7	132	172.8	-21.4	31.8	0	0	0	110.8
624	P	83	Confident	88.5	Confident	121 Å²	121	74.1 Å²	74.1	79%	0.786	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-66.3	155.4	178.7	28.3	-34.8	0	0	0	111.2	K626	P624-K626 PolarHBondContact O-N 2.88Å
625	E	78	Confident	88.3	Confident	152 Å²	152	74.9 Å²	74.9	71%	0.71	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-56	137.1	168.5	-74.4	-171	180	0	0	109.9	S627 K891	E625-S627 PolarHBondContact O-N 3.47Å; E625-S627 VanDerWaalsContact O-N 3.1Å; E625-K891 IonicContact OE2-NZ 3.76Å; E625-K891 PolarHBondContact OE2-NZ 3.15Å
626	K	75.7	Confident	88.2	Confident	196 Å²	196	73.7 Å²	73.7	85%	0.852	41%	0.409	S	S	*	.			trans	-65.9	112.5	173.2	-73.7	-176.2	178.5	179.6	0	109.3	P624	P624-K626 PolarHBondContact O-N 2.88Å
627	S	81.9	Confident	88.1	Confident	110 Å²	110	73.2 Å²	73.2	77%	0.769	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-88.5	137.6	168	57.5	0	0	0	0	110.6	E625	E625-S627 PolarHBondContact O-N 3.47Å; E625-S627 VanDerWaalsContact O-N 3.1Å
628	F	86.8	Confident	87.8	Confident	69 Å²	69	74.9 Å²	74.9	30%	0.303	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-83.3	139.7	173	-58.6	-62	0	0	0	110.9	A630 L633 E641 H642 Q645	F628-A630 PolarHBondContact O-N 2.74Å; F628-L633 HydrophobicContact CB-CD1 4.07Å; F628-L633 HydrophobicContact CB-CD2 3.74Å; F628-L633 HydrophobicContact CB-CG 3.82Å; F628-L633 HydrophobicContact CD2-CD2 4.03Å; F628-L633 HydrophobicContact CG-CD2 4.16Å; F628-E641 HydrophobicContact CE2-CB 4.2Å; F628-E641 HydrophobicContact CZ-CB 3.76Å; F628-H642 AromaticContact CD1-CD2 3.42Å; F628-H642 VanDerWaalsContact CD1-CD2 3.42Å; F628-H642 WeakPolarHBondContact CD1-CD2 3.29Å; F628-H642 AromaticContact CD1-NE2 3.38Å; F628-H642 WeakPolarHBondContact CD1-NE2 3.3Å; F628-H642 AromaticContact CE1-CD2 3.53Å; F628-H642 AromaticContact CE1-NE2 3.45Å; F628-H642 WeakPolarHBondContact CE1-NE2 3.11Å; F628-H642 AromaticContact CG-CD2 3.73Å; F628-H642 AromaticContact CZ-CD2 3.93Å; F628-Q645 HydrophobicContact CD2-CB 4.21Å; F628-Q645 HydrophobicContact CD2-CG 4.34Å; F628-Q645 HydrophobicContact CE2-CB 4.44Å
629	P	87.4	Confident	87.7	Confident	50 Å²	50	75.1 Å²	75.1	33%	0.325	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-58.1	138.6	175.3	-24.2	33.5	0	0	0	111.9	C631 T632 L633	P629-C631 VanDerWaalsContact C-N 3.28Å; P629-C631 PolarHBondContact O-N 2.76Å; P629-T632 WeakPolarHBondContact O-CB 3.36Å; P629-T632 PolarHBondContact O-N 2.89Å; P629-T632 VanDerWaalsContact O-N 3.07Å; P629-L633 PolarHBondContact O-N 2.99Å
630	A	85.4	Confident	87.7	Confident	50 Å²	50	72.8 Å²	72.8	41%	0.413	39%	0.392	S	S	.	.	H	α-helix	trans	-60.2	-35.1	-176	0	0	0	0	0	113.2	F628 L633 K634	F628-A630 PolarHBondContact O-N 2.74Å; A630-L633 PolarHBondContact O-N 3.42Å; A630-K634 WeakPolarHBondContact O-CB 3.24Å; A630-K634 PolarHBondContact O-N 2.87Å
631	C	88.2	Confident	88.1	Confident	15 Å²	15	73.1 Å²	73.1	10%	0.101	39%	0.388	C	S	.	.	H	α-helix	trans	-66.9	-36.7	177.2	60.8	0	0	0	0	112.3	P629 N635 F636	P629-C631 VanDerWaalsContact C-N 3.28Å; P629-C631 PolarHBondContact O-N 2.76Å; C631-N635 PolarHBondContact O-N 2.87Å; C631-F636 PolarHBondContact O-N 2.94Å
632	T	92.2	Very high	88.7	Confident	19 Å²	19	64 Å²	64	12%	0.117	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-49.9	174.9	-56.8	0	0	0	0	110.6	P629 K634 F636 P637 Y638 H642	P629-T632 WeakPolarHBondContact O-CB 3.36Å; P629-T632 PolarHBondContact O-N 2.89Å; P629-T632 VanDerWaalsContact O-N 3.07Å; T632-K634 PolarHBondContact O-N 2.91Å; T632-F636 WeakPolarHBondContact CG2-O 3.41Å; T632-F636 CarbonylContact O-C 3.05Å; T632-F636 PolarHBondContact O-N 2.87Å; T632-P637 WeakPolarHBondContact O-CD 3.48Å; T632-Y638 HydrophobicContact CG2-CD1 4.06Å; T632-Y638 HydrophobicContact CG2-CE1 3.78Å; T632-H642 WeakPolarHBondContact CG2-ND1 3.38Å
633	L	92.7	Very high	89.4	Confident	21 Å²	21	59.3 Å²	59.3	11%	0.11	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-45.1	177.9	-64.2	-179.2	0	0	0	111.9	F628 P629 A630 H642 Q645 R871	F628-L633 HydrophobicContact CB-CD1 4.07Å; F628-L633 HydrophobicContact CB-CD2 3.74Å; F628-L633 HydrophobicContact CB-CG 3.82Å; F628-L633 HydrophobicContact CD2-CD2 4.03Å; F628-L633 HydrophobicContact CG-CD2 4.16Å; P629-L633 PolarHBondContact O-N 2.99Å; A630-L633 PolarHBondContact O-N 3.42Å; L633-H642 HydrophobicContact CD2-CB 3.98Å; L633-H642 WeakPolarHBondContact CD2-O 3.14Å; L633-Q645 HydrophobicContact CD1-CG 3.83Å; L633-Q645 HydrophobicContact CD2-CB 3.88Å; L633-Q645 HydrophobicContact CD2-CG 4.1Å; L633-R871 PolarHBondContact O-NH2 3.05Å
634	K	90.9	Very high	90	Very high	126 Å²	126	53.7 Å²	53.7	55%	0.548	28%	0.284	S	S	.	.	H	α-helix	trans	-77.4	-37.3	-171.7	-168	174.7	-178.1	175.6	0	114.3	A630 T632 R871	A630-K634 WeakPolarHBondContact O-CB 3.24Å; A630-K634 PolarHBondContact O-N 2.87Å; T632-K634 PolarHBondContact O-N 2.91Å; K634-R871 PolarHBondContact O-NH2 3.08Å
635	N	93.1	Very high	90.7	Very high	17 Å²	17	50 Å²	50	9%	0.091	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-29	-168.8	-59.4	-41.7	0	0	0	114.7	C631 P637 I807 D808 Y875	C631-N635 PolarHBondContact O-N 2.87Å; N635-P637 VanDerWaalsContact C-CD 3.48Å; N635-I807 HydrophobicContact CB-CG2 4.36Å; N635-I807 WeakPolarHBondContact ND2-CG2 3.32Å; N635-D808 PolarHBondContact ND2-O 2.94Å; N635-D808 VanDerWaalsContact ND2-O 3.13Å; N635-Y875 WeakPolarHBondContact O-CE1 3.22Å; N635-Y875 PolarHBondContact O-OH 2.99Å
636	F	94.9	Very high	91.6	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.031	23%	0.228	C	C	.	.			trans	-132.3	54.8	-170.2	-45.1	-70.6	0	0	0	113.5	C631 T632 L725 F741 W742 K746 V809	C631-F636 PolarHBondContact O-N 2.94Å; T632-F636 WeakPolarHBondContact CG2-O 3.41Å; T632-F636 CarbonylContact O-C 3.05Å; T632-F636 PolarHBondContact O-N 2.87Å; F636-L725 HydrophobicContact CE1-CD1 4.34Å; F636-F741 HydrophobicContact CE1-CE1 4.04Å; F636-F741 AromaticContact CE1-CZ 3.85Å; F636-F741 HydrophobicContact CE1-CZ 3.85Å; F636-F741 HydrophobicContact CZ-CZ 4.08Å; F636-W742 HydrophobicContact CD1-CH2 4.34Å; F636-W742 AromaticContact CD1-CZ3 3.91Å; F636-W742 HydrophobicContact CD1-CZ3 3.91Å; F636-W742 HydrophobicContact CE1-CH2 4.11Å; F636-W742 HydrophobicContact CE1-CZ3 4.08Å; F636-K746 HydrophobicContact CB-CG 4.4Å; F636-K746 HydrophobicContact CD1-CD 4.41Å; F636-K746 HydrophobicContact CD1-CG 4.35Å; F636-K746 HydrophobicContact CG-CG 4.38Å; F636-V809 HydrophobicContact CE2-CG1 4.45Å
637	P	96.1	Very high	92.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.			trans	-66.1	146.7	173	30.9	-36.4	0	0	0	110.1	T632 N635 H642 T643 Y875 I877	T632-P637 WeakPolarHBondContact O-CD 3.48Å; N635-P637 VanDerWaalsContact C-CD 3.48Å; P637-H642 HydrophobicContact CB-CB 3.8Å; P637-T643 HydrophobicContact CB-CG2 3.89Å; P637-T643 HydrophobicContact CG-CG2 4.27Å; P637-Y875 HydrophobicContact CG-CD1 3.99Å; P637-Y875 HydrophobicContact CG-CD2 3.61Å; P637-Y875 HydrophobicContact CG-CE1 4.04Å; P637-Y875 HydrophobicContact CG-CE2 3.67Å; P637-Y875 HydrophobicContact CG-CG 3.78Å; P637-I877 HydrophobicContact CB-CD1 4.07Å; P637-I877 HydrophobicContact CG-CD1 4.45Å
638	Y	91.9	Very high	93.4	Very high	51 Å²	51	31.6 Å²	31.6	20%	0.2	16%	0.158	C	C	.	.			trans	-139.9	-6.7	176.1	61.1	-92.3	0	0	0	113.2	M215 T632 H642 T745	M215-Y638 HydrophobicContact CE-CD2 3.61Å; M215-Y638 HydrophobicContact CE-CE2 3.29Å; M215-Y638 HydrophobicContact SD-CD2 3.71Å; M215-Y638 HydrophobicContact SD-CE2 4.06Å; M215-Y638 HydrophobicContact SD-CG 4.47Å; T632-Y638 HydrophobicContact CG2-CD1 4.06Å; T632-Y638 HydrophobicContact CG2-CE1 3.78Å; Y638-H642 AromaticContact CD1-CE1 3.73Å; Y638-H642 AromaticContact CD1-ND1 3.78Å; Y638-H642 AromaticContact CE1-CE1 3.36Å; Y638-H642 WeakPolarHBondContact CE1-CE1 3.3Å; Y638-H642 AromaticContact CE1-ND1 3.85Å; Y638-H642 AromaticContact CE2-CE1 3.73Å; Y638-H642 AromaticContact CZ-CE1 3.37Å; Y638-T745 WeakPolarHBondContact CB-O 3.48Å; Y638-T745 HydrophobicContact CD1-CG2 4.31Å; Y638-T745 WeakPolarHBondContact CD1-O 3.21Å; Y638-T745 HydrophobicContact CE1-CG2 3.91Å; Y638-T745 HydrophobicContact CE2-CG2 4.36Å
639	L	92.2	Very high	93.9	Very high	56 Å²	56	32 Å²	32	29%	0.293	16%	0.164	S	C	.	.	S	Bend	trans	-128.5	155.6	174.7	-65.8	175.3	0	0	0	109.8	E641 H642	L639-E641 WeakPolarHBondContact CB-OE2 3.33Å; L639-E641 PolarHBondContact O-N 3.42Å; L639-H642 WeakPolarHBondContact O-CB 3.29Å; L639-H642 PolarHBondContact O-N 3.24Å; L639-H642 VanDerWaalsContact O-N 3.1Å
640	I	94.7	Very high	94.4	Very high	9 Å²	9	31 Å²	31	5%	0.046	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-29.7	-179.7	-167.6	64.7	0	0	0	112	H642 T643 L644 A872 I877 A880	I640-H642 PolarHBondContact O-N 2.87Å; I640-T643 WeakPolarHBondContact CD1-OG1 3.26Å; I640-T643 PolarHBondContact O-N 3.08Å; I640-T643 PolarHBondContact O-OG1 3.48Å; I640-T643 VanDerWaalsContact O-OG1 3.05Å; I640-L644 HydrophobicContact CG1-CD1 4.07Å; I640-L644 HydrophobicContact CG1-CG 4.41Å; I640-L644 WeakPolarHBondContact O-CB 3.45Å; I640-L644 WeakPolarHBondContact O-CG 3.44Å; I640-L644 PolarHBondContact O-N 3.08Å; I640-A872 HydrophobicContact CD1-CB 3.85Å; I640-I877 HydrophobicContact CB-CG2 4.25Å; I640-A880 HydrophobicContact CD1-CB 4.12Å; I640-A880 HydrophobicContact CG1-CB 3.55Å
641	E	94.5	Very high	95	Very high	55 Å²	55	28.6 Å²	28.6	26%	0.257	14%	0.135	S	C	.	.	H	α-helix	trans	-58.6	-35.7	173.8	-67.1	70.3	-160.7	0	0	111.4	F628 L639 Q645 K884 I888	F628-E641 HydrophobicContact CE2-CB 4.2Å; F628-E641 HydrophobicContact CZ-CB 3.76Å; L639-E641 WeakPolarHBondContact CB-OE2 3.33Å; L639-E641 PolarHBondContact O-N 3.42Å; E641-Q645 WeakPolarHBondContact O-CB 3.46Å; E641-Q645 PolarHBondContact O-N 3.38Å; E641-K884 IonicContact OE1-NZ 2.74Å; E641-I888 HydrophobicContact CG-CD1 4.04Å; E641-I888 HydrophobicContact CG-CG2 4.49Å
642	H	96	Very high	95.4	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-71.3	-41.1	178.6	-55.5	161.6	0	0	0	111.5	F628 T632 L633 P637 Y638 L639 I640 L644 W646	F628-H642 AromaticContact CD1-CD2 3.42Å; F628-H642 VanDerWaalsContact CD1-CD2 3.42Å; F628-H642 WeakPolarHBondContact CD1-CD2 3.29Å; F628-H642 AromaticContact CD1-NE2 3.38Å; F628-H642 WeakPolarHBondContact CD1-NE2 3.3Å; F628-H642 AromaticContact CE1-CD2 3.53Å; F628-H642 AromaticContact CE1-NE2 3.45Å; F628-H642 WeakPolarHBondContact CE1-NE2 3.11Å; F628-H642 AromaticContact CG-CD2 3.73Å; F628-H642 AromaticContact CZ-CD2 3.93Å; T632-H642 WeakPolarHBondContact CG2-ND1 3.38Å; L633-H642 HydrophobicContact CD2-CB 3.98Å; L633-H642 WeakPolarHBondContact CD2-O 3.14Å; P637-H642 HydrophobicContact CB-CB 3.8Å; Y638-H642 AromaticContact CD1-CE1 3.73Å; Y638-H642 AromaticContact CD1-ND1 3.78Å; Y638-H642 AromaticContact CE1-CE1 3.36Å; Y638-H642 WeakPolarHBondContact CE1-CE1 3.3Å; Y638-H642 AromaticContact CE1-ND1 3.85Å; Y638-H642 AromaticContact CE2-CE1 3.73Å; Y638-H642 AromaticContact CZ-CE1 3.37Å; L639-H642 WeakPolarHBondContact O-CB 3.29Å; L639-H642 PolarHBondContact O-N 3.24Å; L639-H642 VanDerWaalsContact O-N 3.1Å; I640-H642 PolarHBondContact O-N 2.87Å; H642-L644 VanDerWaalsContact C-N 3.35Å; H642-W646 VanDerWaalsContact O-CB 3.27Å; H642-W646 WeakPolarHBondContact O-CB 3.46Å; H642-W646 PolarHBondContact O-N 2.95Å
643	T	98.1	Very high	95.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-73	-31.3	178.5	69.2	0	0	0	0	111.4	P637 I640 A647 S868 R871 A872 I877	P637-T643 HydrophobicContact CB-CG2 3.89Å; P637-T643 HydrophobicContact CG-CG2 4.27Å; I640-T643 WeakPolarHBondContact CD1-OG1 3.26Å; I640-T643 PolarHBondContact O-N 3.08Å; I640-T643 PolarHBondContact O-OG1 3.48Å; I640-T643 VanDerWaalsContact O-OG1 3.05Å; T643-A647 VanDerWaalsContact O-CB 3.22Å; T643-A647 WeakPolarHBondContact O-CB 3.24Å; T643-A647 PolarHBondContact O-N 2.92Å; T643-S868 WeakPolarHBondContact CB-O 3.29Å; T643-S868 PolarHBondContact OG1-O 2.89Å; T643-S868 PolarHBondContact OG1-OG 3.43Å; T643-R871 HydrophobicContact CG2-CB 4.25Å; T643-R871 HydrophobicContact CG2-CG 4.02Å; T643-A872 HydrophobicContact CG2-CB 4.45Å; T643-I877 HydrophobicContact CG2-CD1 3.94Å
644	L	97.6	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.9	-45.5	173.6	-76.7	166.6	0	0	0	112.2	I640 H642 W646 A647 R648 I864 S868 A880 I888	I640-L644 HydrophobicContact CG1-CD1 4.07Å; I640-L644 HydrophobicContact CG1-CG 4.41Å; I640-L644 WeakPolarHBondContact O-CB 3.45Å; I640-L644 WeakPolarHBondContact O-CG 3.44Å; I640-L644 PolarHBondContact O-N 3.08Å; H642-L644 VanDerWaalsContact C-N 3.35Å; L644-W646 VanDerWaalsContact C-N 3.33Å; L644-A647 PolarHBondContact O-N 3.03Å; L644-R648 WeakPolarHBondContact O-CB 3.45Å; L644-R648 PolarHBondContact O-N 2.99Å; L644-I864 HydrophobicContact CD2-CG2 4.18Å; L644-S868 WeakPolarHBondContact CD2-OG 3.16Å; L644-S868 VanDerWaalsContact CG-OG 3.29Å; L644-S868 WeakPolarHBondContact CG-OG 3.4Å; L644-S868 PolarHBondContact N-OG 3.26Å; L644-A880 HydrophobicContact CD1-CB 4.39Å; L644-I888 HydrophobicContact CB-CG2 4.02Å; L644-I888 HydrophobicContact CD1-CB 3.89Å; L644-I888 HydrophobicContact CD1-CD1 3.51Å; L644-I888 HydrophobicContact CD1-CG1 4.28Å; L644-I888 HydrophobicContact CD1-CG2 4.04Å
645	Q	96.2	Very high	96.2	Very high	45 Å²	45	24.1 Å²	24.1	21%	0.21	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-43.7	174	-175.3	61.5	52.8	0	0	110.7	F628 L633 E641 A647 R648 D649	F628-Q645 HydrophobicContact CD2-CB 4.21Å; F628-Q645 HydrophobicContact CD2-CG 4.34Å; F628-Q645 HydrophobicContact CE2-CB 4.44Å; L633-Q645 HydrophobicContact CD1-CG 3.83Å; L633-Q645 HydrophobicContact CD2-CB 3.88Å; L633-Q645 HydrophobicContact CD2-CG 4.1Å; E641-Q645 WeakPolarHBondContact O-CB 3.46Å; E641-Q645 PolarHBondContact O-N 3.38Å; Q645-A647 VanDerWaalsContact C-N 3.35Å; Q645-A647 PolarHBondContact O-N 2.83Å; Q645-R648 PolarHBondContact O-N 3.16Å; Q645-D649 PolarHBondContact NE2-OD1 3.47Å; Q645-D649 PolarHBondContact O-N 3.44Å
646	W	97.6	Very high	96.4	Very high	30 Å²	30	24 Å²	24	11%	0.114	12%	0.121	C	C	.	.	H	α-helix	trans	-59	-43.8	173.8	171.2	87.3	0	0	0	112.6	H642 L644 R648 D649 L650 L717 F718 A867 R871	H642-W646 VanDerWaalsContact O-CB 3.27Å; H642-W646 WeakPolarHBondContact O-CB 3.46Å; H642-W646 PolarHBondContact O-N 2.95Å; L644-W646 VanDerWaalsContact C-N 3.33Å; W646-R648 VanDerWaalsContact C-N 3.29Å; W646-R648 PolarHBondContact O-N 2.9Å; W646-D649 PolarHBondContact O-N 3.16Å; W646-L650 HydrophobicContact CH2-CD2 3.64Å; W646-L650 HydrophobicContact CZ2-CD2 4.01Å; W646-L650 HydrophobicContact CZ3-CD2 4.02Å; W646-L650 WeakPolarHBondContact O-CB 3.42Å; W646-L650 PolarHBondContact O-N 2.81Å; W646-L717 HydrophobicContact CH2-CD1 4.26Å; W646-L717 HydrophobicContact CZ2-CD2 4.17Å; W646-F718 AromaticContact CH2-CE1 3.8Å; W646-F718 HydrophobicContact CH2-CE1 3.8Å; W646-F718 HydrophobicContact CH2-CZ 4.16Å; W646-F718 HydrophobicContact CZ3-CE1 4.12Å; W646-A867 HydrophobicContact CZ3-CB 4.18Å; W646-R871 VanDerWaalsContact CE2-CZ 3.49Å; W646-R871 VanDerWaalsContact CE2-NH1 3.25Å; W646-R871 HydrophobicContact CE3-CB 4.2Å; W646-R871 HydrophobicContact CE3-CG 4.33Å; W646-R871 VanDerWaalsContact CZ2-NH1 3.33Å; W646-R871 HydrophobicContact CZ3-CB 3.95Å; W646-R871 HydrophobicContact CZ3-CG 4.39Å
647	A	98.3	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-34.5	179.7	0	0	0	0	0	111.5	T643 L644 Q645 L650 F651 I864 A867	T643-A647 VanDerWaalsContact O-CB 3.22Å; T643-A647 WeakPolarHBondContact O-CB 3.24Å; T643-A647 PolarHBondContact O-N 2.92Å; L644-A647 PolarHBondContact O-N 3.03Å; Q645-A647 VanDerWaalsContact C-N 3.35Å; Q645-A647 PolarHBondContact O-N 2.83Å; A647-L650 PolarHBondContact O-N 3.18Å; A647-F651 PolarHBondContact O-N 3.28Å; A647-I864 HydrophobicContact CB-CG2 4.06Å; A647-I864 WeakPolarHBondContact CB-O 3.48Å; A647-A867 HydrophobicContact CB-CB 3.99Å
648	R	97	Very high	96.5	Very high	41 Å²	41	30.7 Å²	30.7	16%	0.155	15%	0.152	C	C	.	.	H	α-helix	trans	-66.1	-47.4	172.2	177.2	52.2	-174.9	-101.8	8.6	111.7	L644 Q645 W646 L650 F651 E652 I864 A889	L644-R648 WeakPolarHBondContact O-CB 3.45Å; L644-R648 PolarHBondContact O-N 2.99Å; Q645-R648 PolarHBondContact O-N 3.16Å; W646-R648 VanDerWaalsContact C-N 3.29Å; W646-R648 PolarHBondContact O-N 2.9Å; R648-L650 PolarHBondContact O-N 3.26Å; R648-F651 WeakPolarHBondContact O-CB 2.95Å; R648-F651 PolarHBondContact O-N 2.94Å; R648-F651 VanDerWaalsContact O-N 3.12Å; R648-E652 IonicContact CZ-OE1 3.77Å; R648-E652 VanDerWaalsContact CZ-OE1 3.28Å; R648-E652 IonicContact NE-OE1 3.13Å; R648-E652 PolarHBondContact NE-OE1 2.6Å; R648-E652 IonicContact NH2-OE1 2.89Å; R648-E652 PolarHBondContact NH2-OE1 3.35Å; R648-E652 WeakPolarHBondContact O-CG 3.45Å; R648-E652 PolarHBondContact O-N 3Å; R648-I864 HydrophobicContact CB-CD1 4.47Å; R648-A889 HydrophobicContact CB-CB 4.48Å; R648-A889 PolarHBondContact NH1-O 2.93Å
649	D	96.6	Very high	96.7	Very high	78 Å²	78	28.3 Å²	28.3	42%	0.417	14%	0.143	S	C	.	.	H	α-helix	trans	-61.8	-36.6	177	-63.3	-13	0	0	0	111.2	Q645 W646 G653	Q645-D649 PolarHBondContact NE2-OD1 3.47Å; Q645-D649 PolarHBondContact O-N 3.44Å; W646-D649 PolarHBondContact O-N 3.16Å; D649-G653 PolarHBondContact O-N 2.9Å
650	L	98	Very high	96.9	Very high	27 Å²	27	30.5 Å²	30.5	14%	0.141	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-45	173.4	-178.6	67.5	0	0	0	111.5	W646 A647 R648 G653 L654 L717 F863 A867	W646-L650 HydrophobicContact CH2-CD2 3.64Å; W646-L650 HydrophobicContact CZ2-CD2 4.01Å; W646-L650 HydrophobicContact CZ3-CD2 4.02Å; W646-L650 WeakPolarHBondContact O-CB 3.42Å; W646-L650 PolarHBondContact O-N 2.81Å; A647-L650 PolarHBondContact O-N 3.18Å; R648-L650 PolarHBondContact O-N 3.26Å; L650-G653 PolarHBondContact O-N 2.8Å; L650-L654 HydrophobicContact CD1-CD1 3.67Å; L650-L654 HydrophobicContact CD1-CG 3.94Å; L650-L654 HydrophobicContact CD2-CD1 4.46Å; L650-L654 HydrophobicContact CG-CD1 3.79Å; L650-L654 HydrophobicContact CG-CG 4.33Å; L650-L654 WeakPolarHBondContact O-CB 3.29Å; L650-L654 VanDerWaalsContact O-CG 3.27Å; L650-L654 WeakPolarHBondContact O-CG 3.3Å; L650-L654 PolarHBondContact O-N 2.92Å; L650-L717 HydrophobicContact CD1-CD1 4.3Å; L650-L717 HydrophobicContact CD1-CD2 4.37Å; L650-L717 HydrophobicContact CD2-CD1 3.56Å; L650-F863 HydrophobicContact CD2-CE1 4.18Å; L650-F863 HydrophobicContact CD2-CZ 3.79Å; L650-F863 HydrophobicContact CG-CE1 4.25Å; L650-F863 HydrophobicContact CG-CZ 4.03Å; L650-A867 HydrophobicContact CD2-CB 4.47Å
651	F	98.4	Very high	96.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-50.5	176	176.3	-85	0	0	0	111.3	A647 R648 G653 L654 F655 V656 L771 I849 F851 H860 F863 I864	A647-F651 PolarHBondContact O-N 3.28Å; R648-F651 WeakPolarHBondContact O-CB 2.95Å; R648-F651 PolarHBondContact O-N 2.94Å; R648-F651 VanDerWaalsContact O-N 3.12Å; F651-G653 VanDerWaalsContact C-N 3.33Å; F651-G653 PolarHBondContact O-N 3.4Å; F651-L654 PolarHBondContact O-N 2.62Å; F651-F655 HydrophobicContact CB-CD2 4.5Å; F651-F655 AromaticContact CD2-CD2 3.53Å; F651-F655 HydrophobicContact CD2-CD2 3.53Å; F651-F655 HydrophobicContact CD2-CE2 4.07Å; F651-F655 HydrophobicContact CE2-CB 4.47Å; F651-F655 AromaticContact CE2-CD2 3.82Å; F651-F655 HydrophobicContact CE2-CD2 3.82Å; F651-F655 HydrophobicContact CE2-CG 4.46Å; F651-F655 HydrophobicContact CG-CD2 4.07Å; F651-F655 HydrophobicContact CZ-CB 4.46Å; F651-F655 WeakPolarHBondContact O-CD2 3.37Å; F651-F655 PolarHBondContact O-N 2.94Å; F651-V656 HydrophobicContact CD1-CG2 4.19Å; F651-V656 HydrophobicContact CE1-CG2 3.75Å; F651-L771 HydrophobicContact CD2-CD1 4.16Å; F651-L771 HydrophobicContact CE2-CD1 3.75Å; F651-L771 HydrophobicContact CE2-CD2 4.2Å; F651-I849 HydrophobicContact CZ-CG2 3.95Å; F651-F851 HydrophobicContact CD1-CB 4.43Å; F651-F851 HydrophobicContact CD1-CD2 4.03Å; F651-F851 HydrophobicContact CE1-CB 3.82Å; F651-F851 AromaticContact CE1-CD2 3.76Å; F651-F851 HydrophobicContact CE1-CD2 3.76Å; F651-F851 HydrophobicContact CE1-CG 4.29Å; F651-F851 HydrophobicContact CZ-CD2 4.27Å; F651-H860 HydrophobicContact CE2-CB 3.99Å; F651-H860 AromaticContact CE2-CD2 3.57Å; F651-H860 AromaticContact CE2-CG 3.9Å; F651-H860 HydrophobicContact CZ-CB 4.04Å; F651-H860 AromaticContact CZ-CD2 3.37Å; F651-H860 WeakPolarHBondContact CZ-CD2 3.11Å; F651-H860 AromaticContact CZ-CG 3.61Å; F651-H860 AromaticContact CZ-NE2 3.85Å; F651-F863 HydrophobicContact CB-CD1 3.88Å; F651-F863 HydrophobicContact CB-CE1 3.87Å; F651-F863 HydrophobicContact CD2-CB 4.47Å; F651-F863 AromaticContact CD2-CD1 3.73Å; F651-F863 HydrophobicContact CD2-CD1 3.73Å; F651-F863 HydrophobicContact CD2-CE1 4.37Å; F651-F863 HydrophobicContact CD2-CG 4.31Å; F651-F863 HydrophobicContact CG-CD1 4.3Å; F651-I864 HydrophobicContact CB-CD1 4.34Å; F651-I864 HydrophobicContact CB-CG1 4.04Å; F651-I864 HydrophobicContact CD2-CG1 4.5Å; F651-I864 HydrophobicContact CG-CD1 4.4Å; F651-I864 HydrophobicContact CG-CG1 4.36Å
652	E	97.3	Very high	96.8	Very high	39 Å²	39	28.7 Å²	28.7	18%	0.182	15%	0.147	C	C	.	.	I	π-helix	trans	-56.5	-48.2	177.1	-72.2	-68.3	167	0	0	111.1	R648 L654 V656 H657	R648-E652 IonicContact CZ-OE1 3.77Å; R648-E652 VanDerWaalsContact CZ-OE1 3.28Å; R648-E652 IonicContact NE-OE1 3.13Å; R648-E652 PolarHBondContact NE-OE1 2.6Å; R648-E652 IonicContact NH2-OE1 2.89Å; R648-E652 PolarHBondContact NH2-OE1 3.35Å; R648-E652 WeakPolarHBondContact O-CG 3.45Å; R648-E652 PolarHBondContact O-N 3Å; E652-L654 PolarHBondContact O-N 2.93Å; E652-V656 WeakPolarHBondContact O-CB 3.49Å; E652-V656 PolarHBondContact O-N 2.83Å; E652-V656 VanDerWaalsContact O-N 3.12Å; E652-V656 VanDerWaalsContact OE2-CB 3.25Å; E652-V656 WeakPolarHBondContact OE2-CB 3.16Å; E652-V656 WeakPolarHBondContact OE2-CG1 3.38Å; E652-V656 VanDerWaalsContact OE2-CG2 3.29Å; E652-V656 WeakPolarHBondContact OE2-CG2 3.39Å; E652-H657 PolarHBondContact O-N 2.92Å
653	G	96.6	Very high	96.7	Very high	26 Å²	26	29.2 Å²	29.2	27%	0.268	15%	0.151	S	C	.	.	I	π-helix	trans	-63.7	-41.3	179.8	0	0	0	0	0	113.7	D649 L650 F651 Q658	D649-G653 PolarHBondContact O-N 2.9Å; L650-G653 PolarHBondContact O-N 2.8Å; F651-G653 VanDerWaalsContact C-N 3.33Å; F651-G653 PolarHBondContact O-N 3.4Å; G653-Q658 VanDerWaalsContact O-CD 3.29Å; G653-Q658 WeakPolarHBondContact O-CG 3.26Å; G653-Q658 PolarHBondContact O-NE2 2.98Å
654	L	97.6	Very high	96.4	Very high	22 Å²	22	31.1 Å²	31.1	12%	0.115	16%	0.164	C	C	.	.	I	π-helix	trans	-82.9	-38.2	-174.7	-71.5	179.2	0	0	0	114.1	L650 F651 E652 Q658 W709 L713 F863	L650-L654 HydrophobicContact CD1-CD1 3.67Å; L650-L654 HydrophobicContact CD1-CG 3.94Å; L650-L654 HydrophobicContact CD2-CD1 4.46Å; L650-L654 HydrophobicContact CG-CD1 3.79Å; L650-L654 HydrophobicContact CG-CG 4.33Å; L650-L654 WeakPolarHBondContact O-CB 3.29Å; L650-L654 VanDerWaalsContact O-CG 3.27Å; L650-L654 WeakPolarHBondContact O-CG 3.3Å; L650-L654 PolarHBondContact O-N 2.92Å; F651-L654 PolarHBondContact O-N 2.62Å; E652-L654 PolarHBondContact O-N 2.93Å; L654-Q658 WeakPolarHBondContact O-CB 3.45Å; L654-W709 HydrophobicContact CD1-CH2 4.34Å; L654-W709 HydrophobicContact CD2-CZ2 4.29Å; L654-L713 HydrophobicContact CD1-CD1 4.4Å; L654-L713 HydrophobicContact CD1-CD2 3.55Å; L654-F863 HydrophobicContact CD1-CZ 4.05Å
655	F	98	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-114.1	-35.5	-167.8	-53.9	-64.6	0	0	0	112.7	F651 S659 W709 L771 I849 F863	F651-F655 HydrophobicContact CB-CD2 4.5Å; F651-F655 AromaticContact CD2-CD2 3.53Å; F651-F655 HydrophobicContact CD2-CD2 3.53Å; F651-F655 HydrophobicContact CD2-CE2 4.07Å; F651-F655 HydrophobicContact CE2-CB 4.47Å; F651-F655 AromaticContact CE2-CD2 3.82Å; F651-F655 HydrophobicContact CE2-CD2 3.82Å; F651-F655 HydrophobicContact CE2-CG 4.46Å; F651-F655 HydrophobicContact CG-CD2 4.07Å; F651-F655 HydrophobicContact CZ-CB 4.46Å; F651-F655 WeakPolarHBondContact O-CD2 3.37Å; F651-F655 PolarHBondContact O-N 2.94Å; F655-S659 WeakPolarHBondContact O-CB 3.49Å; F655-S659 PolarHBondContact O-OG 2.97Å; F655-W709 AromaticContact CE1-CH2 3.77Å; F655-W709 HydrophobicContact CE1-CH2 3.77Å; F655-W709 HydrophobicContact CE1-CZ3 4.15Å; F655-W709 AromaticContact CZ-CH2 3.92Å; F655-W709 HydrophobicContact CZ-CH2 3.92Å; F655-W709 HydrophobicContact CZ-CZ3 4.31Å; F655-L771 HydrophobicContact CD1-CB 3.69Å; F655-L771 HydrophobicContact CD2-CB 4.45Å; F655-L771 HydrophobicContact CD2-CD1 3.93Å; F655-L771 HydrophobicContact CE1-CB 3.52Å; F655-L771 HydrophobicContact CE1-CD1 4.39Å; F655-L771 HydrophobicContact CE2-CB 4.3Å; F655-L771 HydrophobicContact CE2-CD1 3.65Å; F655-L771 HydrophobicContact CG-CB 4.16Å; F655-L771 HydrophobicContact CG-CD1 4.41Å; F655-L771 HydrophobicContact CZ-CB 3.85Å; F655-L771 HydrophobicContact CZ-CD1 3.9Å; F655-I849 HydrophobicContact CB-CB 4.25Å; F655-I849 HydrophobicContact CB-CG1 4.39Å; F655-I849 HydrophobicContact CB-CG2 4.28Å; F655-F863 HydrophobicContact CE2-CD1 4.06Å; F655-F863 AromaticContact CE2-CD2 3.89Å; F655-F863 HydrophobicContact CE2-CD2 3.89Å; F655-F863 AromaticContact CE2-CE1 3.89Å; F655-F863 HydrophobicContact CE2-CE1 3.89Å; F655-F863 AromaticContact CE2-CE2 3.71Å; F655-F863 HydrophobicContact CE2-CE2 3.71Å; F655-F863 HydrophobicContact CE2-CG 4.06Å; F655-F863 AromaticContact CE2-CZ 3.71Å; F655-F863 HydrophobicContact CE2-CZ 3.71Å; F655-F863 HydrophobicContact CZ-CD2 4.2Å; F655-F863 AromaticContact CZ-CE2 3.95Å; F655-F863 HydrophobicContact CZ-CE2 3.95Å; F655-F863 HydrophobicContact CZ-CZ 4.31Å
656	V	97.7	Very high	95.9	Very high	15 Å²	15	30 Å²	30	9%	0.091	16%	0.16	C	C	.	.	I	π-helix	trans	-87.3	-67.1	-178.4	-175.4	0	0	0	0	110.6	F651 E652 Q658 S659 Q660 I849	F651-V656 HydrophobicContact CD1-CG2 4.19Å; F651-V656 HydrophobicContact CE1-CG2 3.75Å; E652-V656 WeakPolarHBondContact O-CB 3.49Å; E652-V656 PolarHBondContact O-N 2.83Å; E652-V656 VanDerWaalsContact O-N 3.12Å; E652-V656 VanDerWaalsContact OE2-CB 3.25Å; E652-V656 WeakPolarHBondContact OE2-CB 3.16Å; E652-V656 WeakPolarHBondContact OE2-CG1 3.38Å; E652-V656 VanDerWaalsContact OE2-CG2 3.29Å; E652-V656 WeakPolarHBondContact OE2-CG2 3.39Å; V656-Q658 VanDerWaalsContact C-N 3.33Å; V656-Q658 PolarHBondContact O-N 2.85Å; V656-S659 PolarHBondContact O-N 2.9Å; V656-S659 PolarHBondContact O-OG 2.98Å; V656-Q660 WeakPolarHBondContact O-CB 3.4Å; V656-Q660 PolarHBondContact O-N 3.26Å; V656-I849 WeakPolarHBondContact CG2-O 3.46Å
657	H	95.7	Very high	95.5	Very high	113 Å²	113	36 Å²	36	52%	0.523	19%	0.189	S	C	.	.	I	π-helix	trans	-61.2	-41.6	-175.3	-64.3	174.2	0	0	0	112.2	E652 A661	E652-H657 PolarHBondContact O-N 2.92Å; H657-A661 VanDerWaalsContact O-CB 3.24Å; H657-A661 WeakPolarHBondContact O-CB 3.31Å; H657-A661 PolarHBondContact O-N 3.12Å
658	Q	96.2	Very high	95.1	Very high	34 Å²	34	38.9 Å²	38.9	16%	0.159	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-42.8	178.8	-82	177.1	44	0	0	112.8	G653 L654 V656 M662 T690 N694	G653-Q658 VanDerWaalsContact O-CD 3.29Å; G653-Q658 WeakPolarHBondContact O-CG 3.26Å; G653-Q658 PolarHBondContact O-NE2 2.98Å; L654-Q658 WeakPolarHBondContact O-CB 3.45Å; V656-Q658 VanDerWaalsContact C-N 3.33Å; V656-Q658 PolarHBondContact O-N 2.85Å; Q658-M662 WeakPolarHBondContact O-CB 3.37Å; Q658-M662 VanDerWaalsContact O-CG 3.27Å; Q658-M662 WeakPolarHBondContact O-CG 3.22Å; Q658-M662 PolarHBondContact O-N 3.09Å; Q658-T690 HydrophobicContact CG-CG2 3.51Å; Q658-N694 PolarHBondContact OE1-ND2 3.43Å
659	S	96.4	Very high	94.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-40.2	178.1	66.9	0	0	0	0	111.3	F655 V656 M662 S663 V848 I849	F655-S659 WeakPolarHBondContact O-CB 3.49Å; F655-S659 PolarHBondContact O-OG 2.97Å; V656-S659 PolarHBondContact O-N 2.9Å; V656-S659 PolarHBondContact O-OG 2.98Å; S659-M662 PolarHBondContact O-N 3.18Å; S659-S663 WeakPolarHBondContact O-CB 3.5Å; S659-S663 PolarHBondContact O-N 2.66Å; S659-V848 WeakPolarHBondContact OG-CA 3.3Å; S659-I849 PolarHBondContact OG-N 3.42Å
660	Q	95.7	Very high	94.3	Very high	103 Å²	103	39.6 Å²	39.6	48%	0.481	22%	0.218	S	C	.	.	H	α-helix	trans	-64.1	-43.4	176.1	-167.4	174.8	15.6	0	0	112.2	V656 S663 S664 V848	V656-Q660 WeakPolarHBondContact O-CB 3.4Å; V656-Q660 PolarHBondContact O-N 3.26Å; Q660-S663 PolarHBondContact O-N 3.18Å; Q660-S664 VanDerWaalsContact O-CB 3.25Å; Q660-S664 WeakPolarHBondContact O-CB 3.43Å; Q660-S664 PolarHBondContact O-N 3.48Å; Q660-S664 PolarHBondContact O-OG 3.34Å; Q660-V848 HydrophobicContact CB-CG1 4.23Å
661	A	94.3	Very high	93.9	Very high	23 Å²	23	38.7 Å²	38.7	19%	0.19	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-45	175.8	0	0	0	0	0	111.6	H657 F665 F672 L691	H657-A661 VanDerWaalsContact O-CB 3.24Å; H657-A661 WeakPolarHBondContact O-CB 3.31Å; H657-A661 PolarHBondContact O-N 3.12Å; A661-F665 WeakPolarHBondContact O-CB 3.43Å; A661-F665 PolarHBondContact O-N 3.3Å; A661-F672 HydrophobicContact CB-CE2 4.43Å; A661-F672 HydrophobicContact CB-CZ 4.13Å; A661-L691 HydrophobicContact CB-CD1 4.01Å
662	M	94	Very high	93.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-48.7	175.4	-74.1	-171.2	-68.4	0	0	111.9	Q658 S659 S664 F665 L666 L691 N694 L695 Y776 I846	Q658-M662 WeakPolarHBondContact O-CB 3.37Å; Q658-M662 VanDerWaalsContact O-CG 3.27Å; Q658-M662 WeakPolarHBondContact O-CG 3.22Å; Q658-M662 PolarHBondContact O-N 3.09Å; S659-M662 PolarHBondContact O-N 3.18Å; M662-S664 PolarHBondContact O-N 3.06Å; M662-F665 PolarHBondContact O-N 2.87Å; M662-L666 WeakPolarHBondContact O-CB 3.41Å; M662-L666 VanDerWaalsContact O-CG 3.22Å; M662-L666 WeakPolarHBondContact O-CG 3.27Å; M662-L666 PolarHBondContact O-N 2.96Å; M662-L691 HydrophobicContact CG-CD1 4.44Å; M662-N694 HydrophobicContact CE-CB 4.43Å; M662-N694 HydrophobicContact CG-CB 4.35Å; M662-N694 HydrophobicContact SD-CB 3.48Å; M662-N694 WeakPolarHBondContact SD-CB 3.34Å; M662-L695 HydrophobicContact CB-CD2 4.21Å; M662-L695 HydrophobicContact CG-CD1 4.48Å; M662-L695 HydrophobicContact CG-CD2 3.91Å; M662-L695 HydrophobicContact CG-CG 4.03Å; M662-L695 HydrophobicContact SD-CD2 3.73Å; M662-L695 HydrophobicContact SD-CG 4.16Å; M662-Y776 HydrophobicContact CE-CE2 4.37Å; M662-Y776 HydrophobicContact SD-CE1 4.38Å; M662-Y776 PolarHBondContact SD-OH 3.09Å; M662-I846 HydrophobicContact CB-CG1 4.11Å; M662-I846 HydrophobicContact CB-CG2 4.2Å; M662-I846 HydrophobicContact CE-CD1 4.33Å; M662-I846 HydrophobicContact CE-CG2 4.06Å; M662-I846 HydrophobicContact SD-CD1 4.32Å
663	S	93.6	Very high	93.3	Very high	15 Å²	15	38 Å²	38	11%	0.105	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-46.9	178.8	-173.8	0	0	0	0	111.4	S659 Q660 F665 L666 Q667	S659-S663 WeakPolarHBondContact O-CB 3.5Å; S659-S663 PolarHBondContact O-N 2.66Å; Q660-S663 PolarHBondContact O-N 3.18Å; S663-F665 PolarHBondContact O-N 3.02Å; S663-L666 PolarHBondContact O-N 3.12Å; S663-Q667 WeakPolarHBondContact O-CG 3.45Å; S663-Q667 PolarHBondContact O-N 2.97Å; S663-Q667 PolarHBondContact OG-NE2 3.44Å
664	S	92.5	Very high	93	Very high	40 Å²	40	43.8 Å²	43.8	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-42.4	178.3	-59.4	0	0	0	0	112.5	Q660 M662 Q667 D668	Q660-S664 VanDerWaalsContact O-CB 3.25Å; Q660-S664 WeakPolarHBondContact O-CB 3.43Å; Q660-S664 PolarHBondContact O-N 3.48Å; Q660-S664 PolarHBondContact O-OG 3.34Å; M662-S664 PolarHBondContact O-N 3.06Å; S664-Q667 PolarHBondContact O-N 3.29Å; S664-D668 PolarHBondContact O-N 3.08Å; S664-D668 VanDerWaalsContact O-N 3.08Å
665	F	92.4	Very high	92.6	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-65.4	-40.1	175.6	174.6	-97.9	0	0	0	112	A661 M662 S663 Q667 D668 P669 F672 L673 L691 L695 L835	A661-F665 WeakPolarHBondContact O-CB 3.43Å; A661-F665 PolarHBondContact O-N 3.3Å; M662-F665 PolarHBondContact O-N 2.87Å; S663-F665 PolarHBondContact O-N 3.02Å; F665-Q667 VanDerWaalsContact C-N 3.28Å; F665-Q667 PolarHBondContact O-N 3.33Å; F665-D668 CarbonylContact O-C 3.58Å; F665-P669 HydrophobicContact CD2-CB 4.17Å; F665-P669 HydrophobicContact CE1-CB 4.44Å; F665-P669 HydrophobicContact CE2-CB 3.76Å; F665-P669 HydrophobicContact CZ-CB 3.91Å; F665-P669 WeakPolarHBondContact O-CA 3.17Å; F665-P669 WeakPolarHBondContact O-CD 3.45Å; F665-P669 WeakPolarHBondContact O-CG 3.47Å; F665-F672 HydrophobicContact CB-CB 4.43Å; F665-F672 HydrophobicContact CB-CD1 4.02Å; F665-F672 HydrophobicContact CB-CD2 4.33Å; F665-F672 HydrophobicContact CB-CE1 4.37Å; F665-F672 HydrophobicContact CB-CG 3.99Å; F665-F672 HydrophobicContact CD2-CB 4.25Å; F665-F672 AromaticContact CD2-CD1 3.82Å; F665-F672 HydrophobicContact CD2-CD1 3.82Å; F665-F672 HydrophobicContact CD2-CG 4.24Å; F665-F672 HydrophobicContact CG-CD1 4.41Å; F665-L673 HydrophobicContact CE2-CD1 4.35Å; F665-L673 HydrophobicContact CE2-CD2 4.25Å; F665-L673 HydrophobicContact CE2-CG 4.07Å; F665-L691 HydrophobicContact CB-CD1 4.09Å; F665-L691 HydrophobicContact CB-CD2 3.81Å; F665-L691 HydrophobicContact CD1-CD2 3.63Å; F665-L691 HydrophobicContact CD2-CD2 3.68Å; F665-L691 HydrophobicContact CE1-CD2 4.06Å; F665-L691 HydrophobicContact CE2-CD2 4.12Å; F665-L691 HydrophobicContact CG-CD2 3.41Å; F665-L691 VanDerWaalsContact CG-CD2 3.41Å; F665-L691 HydrophobicContact CZ-CD2 4.29Å; F665-L695 HydrophobicContact CD1-CD1 3.7Å; F665-L695 HydrophobicContact CE1-CD1 4.05Å; F665-L835 HydrophobicContact CE2-CB 4.28Å; F665-L835 HydrophobicContact CZ-CB 3.94Å
666	L	90.3	Very high	92.3	Very high	21 Å²	21	49.3 Å²	49.3	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-29.7	179	-69	171.5	0	0	0	112.5	M662 S663 L695 F838 T841 L844 I846	M662-L666 WeakPolarHBondContact O-CB 3.41Å; M662-L666 VanDerWaalsContact O-CG 3.22Å; M662-L666 WeakPolarHBondContact O-CG 3.27Å; M662-L666 PolarHBondContact O-N 2.96Å; S663-L666 PolarHBondContact O-N 3.12Å; L666-L695 HydrophobicContact CD1-CD2 4.39Å; L666-F838 HydrophobicContact CD2-CD1 4.32Å; L666-F838 HydrophobicContact CD2-CE1 3.69Å; L666-T841 HydrophobicContact CD2-CG2 4Å; L666-L844 HydrophobicContact CD1-CB 4.45Å; L666-L844 HydrophobicContact CD1-CD2 4.21Å; L666-L844 HydrophobicContact CD1-CG 4.23Å; L666-I846 HydrophobicContact CD1-CG1 3.61Å
667	Q	88.9	Confident	91.8	Very high	155 Å²	155	51.4 Å²	51.4	72%	0.724	26%	0.263	S	S	*	.	H	α-helix	trans	-75.3	-44.2	175.8	-70.6	174.7	15.3	0	0	112.9	S663 S664 F665	S663-Q667 WeakPolarHBondContact O-CG 3.45Å; S663-Q667 PolarHBondContact O-N 2.97Å; S663-Q667 PolarHBondContact OG-NE2 3.44Å; S664-Q667 PolarHBondContact O-N 3.29Å; F665-Q667 VanDerWaalsContact C-N 3.28Å; F665-Q667 PolarHBondContact O-N 3.33Å
668	D	89.9	Confident	91.4	Very high	60 Å²	60	50.3 Å²	50.3	32%	0.321	27%	0.269	S	S	.	.			trans	-141.5	76.4	-177.8	172	30.5	0	0	0	111	S664 F665 G671 F672 R675	S664-D668 PolarHBondContact O-N 3.08Å; S664-D668 VanDerWaalsContact O-N 3.08Å; F665-D668 CarbonylContact O-C 3.58Å; D668-G671 PolarHBondContact OD1-N 3.13Å; D668-G671 WeakPolarHBondContact OD2-CA 3.43Å; D668-F672 WeakPolarHBondContact O-CB 3.36Å; D668-F672 PolarHBondContact O-N 3.2Å; D668-R675 IonicContact OD2-CZ 2.84Å; D668-R675 IonicContact OD2-NH1 3.91Å; D668-R675 PolarHBondContact OD2-NH1 3.02Å; D668-R675 IonicContact OD2-NH2 3.67Å; D668-R675 PolarHBondContact OD2-NH2 3.47Å; D668-R675 VanDerWaalsContact OD2-NH2 3.16Å
669	P	88.6	Confident	90.8	Very high	37 Å²	37	52 Å²	52	24%	0.24	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-46.1	-178.2	-17.7	23.6	0	0	0	113.9	F665 L673 T841	F665-P669 HydrophobicContact CD2-CB 4.17Å; F665-P669 HydrophobicContact CE1-CB 4.44Å; F665-P669 HydrophobicContact CE2-CB 3.76Å; F665-P669 HydrophobicContact CZ-CB 3.91Å; F665-P669 WeakPolarHBondContact O-CA 3.17Å; F665-P669 WeakPolarHBondContact O-CD 3.45Å; F665-P669 WeakPolarHBondContact O-CG 3.47Å; P669-L673 VanDerWaalsContact O-CG 3.31Å; P669-L673 WeakPolarHBondContact O-CG 3.5Å; P669-L673 PolarHBondContact O-N 2.77Å; P669-L673 VanDerWaalsContact O-N 3.14Å; P669-T841 HydrophobicContact CG-CG2 4.23Å
670	P	88.3	Confident	90.1	Very high	97 Å²	97	60.6 Å²	60.6	63%	0.63	32%	0.319	S	S	*	.	H	α-helix	trans	-64.5	-49.1	-179.5	-19.8	32.6	0	0	0	112.5	L673 E674	P670-L673 PolarHBondContact O-N 2.86Å; P670-E674 PolarHBondContact O-N 2.98Å
671	G	90	Very high	89.2	Confident	9 Å²	9	56.9 Å²	56.9	9%	0.093	31%	0.308	C	S	.	.	H	α-helix	trans	-72.4	-31	-177.8	0	0	0	0	0	112.6	D668 E674 R675	D668-G671 PolarHBondContact OD1-N 3.13Å; D668-G671 WeakPolarHBondContact OD2-CA 3.43Å; G671-E674 PolarHBondContact O-N 3.27Å; G671-R675 VanDerWaalsContact C-CZ 3.42Å; G671-R675 VanDerWaalsContact C-NH1 3.27Å; G671-R675 WeakPolarHBondContact O-CB 3.34Å; G671-R675 VanDerWaalsContact O-CG 3.27Å; G671-R675 WeakPolarHBondContact O-CG 3.46Å; G671-R675 VanDerWaalsContact O-CZ 3.3Å; G671-R675 PolarHBondContact O-N 3.18Å; G671-R675 PolarHBondContact O-NH1 3.14Å
672	F	91.4	Very high	88.5	Confident	19 Å²	19	58.8 Å²	58.8	8%	0.083	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-49.6	171	-175.8	-84.8	0	0	0	111	A661 F665 D668 E674 R675 T676 T687 L691	A661-F672 HydrophobicContact CB-CE2 4.43Å; A661-F672 HydrophobicContact CB-CZ 4.13Å; F665-F672 HydrophobicContact CB-CB 4.43Å; F665-F672 HydrophobicContact CB-CD1 4.02Å; F665-F672 HydrophobicContact CB-CD2 4.33Å; F665-F672 HydrophobicContact CB-CE1 4.37Å; F665-F672 HydrophobicContact CB-CG 3.99Å; F665-F672 HydrophobicContact CD2-CB 4.25Å; F665-F672 AromaticContact CD2-CD1 3.82Å; F665-F672 HydrophobicContact CD2-CD1 3.82Å; F665-F672 HydrophobicContact CD2-CG 4.24Å; F665-F672 HydrophobicContact CG-CD1 4.41Å; D668-F672 WeakPolarHBondContact O-CB 3.36Å; D668-F672 PolarHBondContact O-N 3.2Å; F672-E674 VanDerWaalsContact C-N 3.33Å; F672-E674 PolarHBondContact O-N 3.33Å; F672-R675 PolarHBondContact O-N 3.06Å; F672-T676 VanDerWaalsContact CE1-OG1 3.28Å; F672-T676 WeakPolarHBondContact CE1-OG1 3.38Å; F672-T676 WeakPolarHBondContact O-CB 3.32Å; F672-T676 PolarHBondContact O-N 3.43Å; F672-T676 PolarHBondContact O-OG1 2.69Å; F672-T687 HydrophobicContact CE1-CG2 4.33Å; F672-T687 HydrophobicContact CZ-CG2 4.14Å; F672-L691 HydrophobicContact CE1-CD1 4.27Å; F672-L691 HydrophobicContact CZ-CD1 4.29Å
673	L	91	Very high	88	Confident	4 Å²	4	64 Å²	64	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-44.1	178.1	-71.1	174.8	0	0	0	111.7	F665 P669 P670 T676 L677 L688 L835 R836	F665-L673 HydrophobicContact CE2-CD1 4.35Å; F665-L673 HydrophobicContact CE2-CD2 4.25Å; F665-L673 HydrophobicContact CE2-CG 4.07Å; P669-L673 VanDerWaalsContact O-CG 3.31Å; P669-L673 WeakPolarHBondContact O-CG 3.5Å; P669-L673 PolarHBondContact O-N 2.77Å; P669-L673 VanDerWaalsContact O-N 3.14Å; P670-L673 PolarHBondContact O-N 2.86Å; L673-T676 PolarHBondContact O-N 3.35Å; L673-L677 WeakPolarHBondContact O-CB 3.38Å; L673-L677 WeakPolarHBondContact O-CD1 3.46Å; L673-L677 WeakPolarHBondContact O-CG 3.47Å; L673-L677 PolarHBondContact O-N 2.94Å; L673-L688 HydrophobicContact CD2-CD1 4.3Å; L673-L688 HydrophobicContact CD2-CD2 3.56Å; L673-L835 HydrophobicContact CD2-CD1 4.43Å; L673-R836 HydrophobicContact CD1-CG 3.69Å
674	E	89.9	Confident	87.8	Confident	149 Å²	149	63.4 Å²	63.4	70%	0.696	34%	0.336	S	S	*	.	H	α-helix	trans	-60.5	-48.2	177.7	-173.4	177.4	-174.6	0	0	111.9	P670 G671 F672 L677 S678	P670-E674 PolarHBondContact O-N 2.98Å; G671-E674 PolarHBondContact O-N 3.27Å; F672-E674 VanDerWaalsContact C-N 3.33Å; F672-E674 PolarHBondContact O-N 3.33Å; E674-L677 PolarHBondContact O-N 3.16Å; E674-S678 PolarHBondContact O-N 3.14Å
675	R	91	Very high	87.5	Confident	127 Å²	127	62.7 Å²	62.7	48%	0.479	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-48.6	177.4	-71.4	-175.7	-61.6	-89.6	5.2	111.5	D668 G671 F672 L677 S678	D668-R675 IonicContact OD2-CZ 2.84Å; D668-R675 IonicContact OD2-NH1 3.91Å; D668-R675 PolarHBondContact OD2-NH1 3.02Å; D668-R675 IonicContact OD2-NH2 3.67Å; D668-R675 PolarHBondContact OD2-NH2 3.47Å; D668-R675 VanDerWaalsContact OD2-NH2 3.16Å; G671-R675 VanDerWaalsContact C-CZ 3.42Å; G671-R675 VanDerWaalsContact C-NH1 3.27Å; G671-R675 WeakPolarHBondContact O-CB 3.34Å; G671-R675 VanDerWaalsContact O-CG 3.27Å; G671-R675 WeakPolarHBondContact O-CG 3.46Å; G671-R675 VanDerWaalsContact O-CZ 3.3Å; G671-R675 PolarHBondContact O-N 3.18Å; G671-R675 PolarHBondContact O-NH1 3.14Å; F672-R675 PolarHBondContact O-N 3.06Å; R675-L677 VanDerWaalsContact C-N 3.33Å; R675-L677 PolarHBondContact O-N 2.91Å; R675-S678 PolarHBondContact O-N 2.91Å; R675-S678 VanDerWaalsContact O-N 3.14Å; R675-S678 PolarHBondContact O-OG 3.33Å
676	T	89.9	Confident	87.3	Confident	10 Å²	10	68.5 Å²	68.5	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-38.1	-179.3	-59	0	0	0	0	112.4	F672 L673 S678 N679 P684 T687 L688	F672-T676 VanDerWaalsContact CE1-OG1 3.28Å; F672-T676 WeakPolarHBondContact CE1-OG1 3.38Å; F672-T676 WeakPolarHBondContact O-CB 3.32Å; F672-T676 PolarHBondContact O-N 3.43Å; F672-T676 PolarHBondContact O-OG1 2.69Å; L673-T676 PolarHBondContact O-N 3.35Å; T676-S678 PolarHBondContact O-N 3Å; T676-N679 WeakPolarHBondContact O-CB 3.38Å; T676-N679 PolarHBondContact O-N 3.14Å; T676-P684 HydrophobicContact CG2-CB 4.34Å; T676-P684 WeakPolarHBondContact O-CG 3.48Å; T676-T687 HydrophobicContact CG2-CG2 3.91Å; T676-L688 HydrophobicContact CG2-CD2 4.23Å; T676-L688 HydrophobicContact CG2-CG 4.36Å
677	L	88.1	Confident	87.3	Confident	59 Å²	59	69.4 Å²	69.4	31%	0.309	36%	0.362	S	S	.	.	H	α-helix	trans	-71.2	-17.5	178.8	-69.3	169.1	0	0	0	113.3	L673 E674 R675 N679 P684 L688 L828 Q832	L673-L677 WeakPolarHBondContact O-CB 3.38Å; L673-L677 WeakPolarHBondContact O-CD1 3.46Å; L673-L677 WeakPolarHBondContact O-CG 3.47Å; L673-L677 PolarHBondContact O-N 2.94Å; E674-L677 PolarHBondContact O-N 3.16Å; R675-L677 VanDerWaalsContact C-N 3.33Å; R675-L677 PolarHBondContact O-N 2.91Å; L677-N679 VanDerWaalsContact C-N 3.3Å; L677-P684 HydrophobicContact CD2-CB 4.46Å; L677-L688 HydrophobicContact CD2-CD1 4.45Å; L677-L828 HydrophobicContact CD2-CD1 4.37Å; L677-L828 HydrophobicContact CD2-CD2 3.54Å; L677-L828 HydrophobicContact CD2-CG 4.02Å; L677-Q832 HydrophobicContact CD1-CG 4.45Å
678	S	87.2	Confident	87.5	Confident	91 Å²	91	62 Å²	62	64%	0.636	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.3	174.8	75.9	0	0	0	0	113.7	E674 R675 T676	E674-S678 PolarHBondContact O-N 3.14Å; R675-S678 PolarHBondContact O-N 2.91Å; R675-S678 VanDerWaalsContact O-N 3.14Å; R675-S678 PolarHBondContact O-OG 3.33Å; T676-S678 PolarHBondContact O-N 3Å
679	N	84.6	Confident	87.6	Confident	70 Å²	70	61.7 Å²	61.7	37%	0.374	32%	0.324	S	S	.	.	S	Bend	trans	-71.6	149.5	177.9	-66.4	-7.3	0	0	0	111.5	T676 L677 Q683 P684	T676-N679 WeakPolarHBondContact O-CB 3.38Å; T676-N679 PolarHBondContact O-N 3.14Å; L677-N679 VanDerWaalsContact C-N 3.3Å; N679-Q683 HydrophobicContact CB-CB 4.43Å; N679-P684 HydrophobicContact CB-CG 4.28Å
680	Q	79.6	Confident	87.8	Confident	180 Å²	180	62.4 Å²	62.4	84%	0.841	33%	0.328	S	S	*	.			trans	-82.5	155.7	-177.5	-61.3	-175.9	6.4	0	0	112.6
681	G	78.2	Confident	88.1	Confident	26 Å²	26	58 Å²	58	27%	0.268	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	-147.7	173	0	0	0	0	0	114.1	P684	G681-P684 WeakPolarHBondContact O-CD 3.12Å
682	N	80.3	Confident	88.3	Confident	62 Å²	62	60.1 Å²	60.1	33%	0.332	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.8	-178.5	-77.7	-25.6	0	0	0	114.4	P684 L685 E686 M822	N682-P684 VanDerWaalsContact C-N 3.34Å; N682-L685 WeakPolarHBondContact O-CB 3.44Å; N682-L685 PolarHBondContact O-N 2.82Å; N682-E686 PolarHBondContact O-N 3.29Å; N682-M822 WeakPolarHBondContact OD1-CG 3.27Å
683	Q	82.8	Confident	88.4	Confident	111 Å²	111	61.6 Å²	61.6	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-53.3	-40.4	-178.8	-82.1	-152.9	0.8	0	0	115	N679 L685 E686 T687	N679-Q683 HydrophobicContact CB-CB 4.43Å; Q683-L685 VanDerWaalsContact C-N 3.28Å; Q683-L685 PolarHBondContact O-N 2.75Å; Q683-E686 PolarHBondContact O-N 3.39Å; Q683-T687 WeakPolarHBondContact O-CB 3.4Å; Q683-T687 PolarHBondContact O-N 3.09Å; Q683-T687 PolarHBondContact O-OG1 3.44Å
684	P	88.2	Confident	88.5	Confident	4 Å²	4	61.7 Å²	61.7	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-40	177.6	-21.6	31.9	0	0	0	111.9	T676 L677 N679 G681 N682 L688 L828	T676-P684 HydrophobicContact CG2-CB 4.34Å; T676-P684 WeakPolarHBondContact O-CG 3.48Å; L677-P684 HydrophobicContact CD2-CB 4.46Å; N679-P684 HydrophobicContact CB-CG 4.28Å; G681-P684 WeakPolarHBondContact O-CD 3.12Å; N682-P684 VanDerWaalsContact C-N 3.34Å; P684-L688 WeakPolarHBondContact O-CB 3.12Å; P684-L688 VanDerWaalsContact O-CG 3.24Å; P684-L688 WeakPolarHBondContact O-CG 3.27Å; P684-L688 PolarHBondContact O-N 2.88Å; P684-L828 HydrophobicContact CB-CD1 4.03Å
685	L	87.9	Confident	88.6	Confident	24 Å²	24	54.8 Å²	54.8	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-51.3	179.5	-170.3	73.4	0	0	0	110.6	N682 Q683 T687 L688 E689 R827 L828 L831	N682-L685 WeakPolarHBondContact O-CB 3.44Å; N682-L685 PolarHBondContact O-N 2.82Å; Q683-L685 VanDerWaalsContact C-N 3.28Å; Q683-L685 PolarHBondContact O-N 2.75Å; L685-T687 VanDerWaalsContact C-N 3.32Å; L685-T687 PolarHBondContact O-N 3.34Å; L685-L688 PolarHBondContact O-N 2.98Å; L685-E689 WeakPolarHBondContact O-CB 3.31Å; L685-E689 VanDerWaalsContact O-CG 3.3Å; L685-E689 WeakPolarHBondContact O-CG 3.21Å; L685-E689 PolarHBondContact O-N 3.5Å; L685-R827 HydrophobicContact CD1-CB 4.18Å; L685-R827 HydrophobicContact CD1-CG 4.04Å; L685-L828 HydrophobicContact CB-CD1 4.22Å; L685-L828 HydrophobicContact CD1-CB 4.35Å; L685-L828 HydrophobicContact CD1-CD1 4.07Å; L685-L831 HydrophobicContact CD1-CD1 3.68Å
686	E	87.3	Confident	88.5	Confident	123 Å²	123	52 Å²	52	58%	0.575	28%	0.279	S	S	*	.	H	α-helix	trans	-59.2	-42.9	-179.8	-68.1	179.5	173.3	0	0	112	N682 Q683 T690	N682-E686 PolarHBondContact O-N 3.29Å; Q683-E686 PolarHBondContact O-N 3.39Å; E686-T690 WeakPolarHBondContact O-CB 3.29Å; E686-T690 PolarHBondContact O-N 3.31Å; E686-T690 VanDerWaalsContact O-N 3.08Å; E686-T690 PolarHBondContact O-OG1 3.29Å
687	T	90.9	Very high	88.5	Confident	41 Å²	41	55.9 Å²	55.9	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-63.9	-49.9	179.4	-55.4	0	0	0	0	111	F672 T676 Q683 L685 T690 L691	F672-T687 HydrophobicContact CE1-CG2 4.33Å; F672-T687 HydrophobicContact CZ-CG2 4.14Å; T676-T687 HydrophobicContact CG2-CG2 3.91Å; Q683-T687 WeakPolarHBondContact O-CB 3.4Å; Q683-T687 PolarHBondContact O-N 3.09Å; Q683-T687 PolarHBondContact O-OG1 3.44Å; L685-T687 VanDerWaalsContact C-N 3.32Å; L685-T687 PolarHBondContact O-N 3.34Å; T687-T690 PolarHBondContact O-N 3.09Å; T687-L691 WeakPolarHBondContact O-CB 3.36Å; T687-L691 PolarHBondContact O-N 3.46Å
688	L	93	Very high	88.6	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-71.3	-32.2	-177	-62.9	-175.5	0	0	0	112.8	L673 T676 L677 P684 L685 L691 K692 L828 L831 Q832 L835	L673-L688 HydrophobicContact CD2-CD1 4.3Å; L673-L688 HydrophobicContact CD2-CD2 3.56Å; T676-L688 HydrophobicContact CG2-CD2 4.23Å; T676-L688 HydrophobicContact CG2-CG 4.36Å; L677-L688 HydrophobicContact CD2-CD1 4.45Å; P684-L688 WeakPolarHBondContact O-CB 3.12Å; P684-L688 VanDerWaalsContact O-CG 3.24Å; P684-L688 WeakPolarHBondContact O-CG 3.27Å; P684-L688 PolarHBondContact O-N 2.88Å; L685-L688 PolarHBondContact O-N 2.98Å; L688-L691 PolarHBondContact O-N 3.28Å; L688-K692 WeakPolarHBondContact O-CB 3.3Å; L688-K692 PolarHBondContact O-N 3.32Å; L688-L828 HydrophobicContact CD1-CD1 3.94Å; L688-L831 HydrophobicContact CB-CB 4.12Å; L688-L831 HydrophobicContact CB-CD1 4.18Å; L688-Q832 HydrophobicContact CD1-CG 4Å; L688-L835 HydrophobicContact CB-CD1 4.03Å; L688-L835 HydrophobicContact CD2-CD1 3.74Å; L688-L835 HydrophobicContact CG-CD1 4.36Å
689	E	92.3	Very high	88.9	Confident	52 Å²	52	58.9 Å²	58.9	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-45.3	172.5	-75.5	-167.1	156.6	0	0	112	L685 L691 K692 T693 R827 L831	L685-E689 WeakPolarHBondContact O-CB 3.31Å; L685-E689 VanDerWaalsContact O-CG 3.3Å; L685-E689 WeakPolarHBondContact O-CG 3.21Å; L685-E689 PolarHBondContact O-N 3.5Å; E689-L691 VanDerWaalsContact C-N 3.3Å; E689-L691 PolarHBondContact O-N 2.95Å; E689-K692 PolarHBondContact O-N 3.08Å; E689-T693 WeakPolarHBondContact O-CB 3.37Å; E689-T693 PolarHBondContact O-N 3.5Å; E689-T693 PolarHBondContact O-OG1 2.87Å; E689-R827 IonicContact OE1-CZ 3.82Å; E689-R827 IonicContact OE1-NE 2.76Å; E689-R827 PolarHBondContact OE1-NE 3.39Å; E689-R827 IonicContact OE1-NH2 3.95Å; E689-R827 PolarHBondContact OE1-NH2 3.35Å; E689-R827 IonicContact OE2-NH2 3.06Å; E689-L831 HydrophobicContact CB-CD1 4.5Å; E689-L831 HydrophobicContact CG-CD1 3.42Å; E689-L831 VanDerWaalsContact CG-CD1 3.42Å; E689-L831 HydrophobicContact CG-CD2 3.98Å; E689-L831 HydrophobicContact CG-CG 4.33Å
690	T	92.9	Very high	89.4	Confident	53 Å²	53	56.1 Å²	56.1	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-42.9	177	-57.9	0	0	0	0	110.4	Q658 E686 T687 T693 N694	Q658-T690 HydrophobicContact CG-CG2 3.51Å; E686-T690 WeakPolarHBondContact O-CB 3.29Å; E686-T690 PolarHBondContact O-N 3.31Å; E686-T690 VanDerWaalsContact O-N 3.08Å; E686-T690 PolarHBondContact O-OG1 3.29Å; T687-T690 PolarHBondContact O-N 3.09Å; T690-T693 PolarHBondContact O-N 3.41Å; T690-N694 WeakPolarHBondContact O-CB 3.44Å; T690-N694 PolarHBondContact O-N 2.94Å; T690-N694 PolarHBondContact O-ND2 2.77Å
691	L	93.4	Very high	90	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-46.9	178.7	-151.2	100.5	0	0	0	112.1	A661 M662 F665 F672 T687 L688 E689 T693 N694 L695 L835	A661-L691 HydrophobicContact CB-CD1 4.01Å; M662-L691 HydrophobicContact CG-CD1 4.44Å; F665-L691 HydrophobicContact CB-CD1 4.09Å; F665-L691 HydrophobicContact CB-CD2 3.81Å; F665-L691 HydrophobicContact CD1-CD2 3.63Å; F665-L691 HydrophobicContact CD2-CD2 3.68Å; F665-L691 HydrophobicContact CE1-CD2 4.06Å; F665-L691 HydrophobicContact CE2-CD2 4.12Å; F665-L691 HydrophobicContact CG-CD2 3.41Å; F665-L691 VanDerWaalsContact CG-CD2 3.41Å; F665-L691 HydrophobicContact CZ-CD2 4.29Å; F672-L691 HydrophobicContact CE1-CD1 4.27Å; F672-L691 HydrophobicContact CZ-CD1 4.29Å; T687-L691 WeakPolarHBondContact O-CB 3.36Å; T687-L691 PolarHBondContact O-N 3.46Å; L688-L691 PolarHBondContact O-N 3.28Å; E689-L691 VanDerWaalsContact C-N 3.3Å; E689-L691 PolarHBondContact O-N 2.95Å; L691-T693 VanDerWaalsContact C-N 3.34Å; L691-T693 PolarHBondContact O-N 3.32Å; L691-N694 PolarHBondContact O-N 3.03Å; L691-L695 HydrophobicContact CD2-CD1 3.9Å; L691-L695 HydrophobicContact CG-CD1 3.89Å; L691-L695 WeakPolarHBondContact O-CB 3.26Å; L691-L695 WeakPolarHBondContact O-CG 3.29Å; L691-L695 PolarHBondContact O-N 3.31Å; L691-L835 HydrophobicContact CB-CD1 4.34Å; L691-L835 HydrophobicContact CB-CD2 4.49Å; L691-L835 HydrophobicContact CD2-CD1 3.84Å; L691-L835 HydrophobicContact CD2-CD2 3.78Å; L691-L835 HydrophobicContact CD2-CG 4.39Å
692	K	93.6	Very high	90.9	Very high	54 Å²	54	53.7 Å²	53.7	24%	0.235	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-44.6	175.4	177.4	-177.6	178.7	-60.5	0	110.9	L688 E689 N694 L696 D697 L831 A834 L835	L688-K692 WeakPolarHBondContact O-CB 3.3Å; L688-K692 PolarHBondContact O-N 3.32Å; E689-K692 PolarHBondContact O-N 3.08Å; K692-N694 VanDerWaalsContact C-N 3.29Å; K692-N694 PolarHBondContact O-N 2.88Å; K692-L696 HydrophobicContact CB-CD1 4.43Å; K692-L696 HydrophobicContact CG-CB 4.31Å; K692-L696 HydrophobicContact CG-CD1 3.85Å; K692-L696 WeakPolarHBondContact O-CA 3.3Å; K692-L696 VanDerWaalsContact O-CB 3.3Å; K692-L696 WeakPolarHBondContact O-CB 3.2Å; K692-L696 PolarHBondContact O-N 3.35Å; K692-D697 IonicContact NZ-OD1 3.16Å; K692-D697 PolarHBondContact NZ-OD1 2.99Å; K692-D697 IonicContact NZ-OD2 2.86Å; K692-D697 PolarHBondContact NZ-OD2 2.78Å; K692-D697 PolarHBondContact O-N 2.92Å; K692-L831 HydrophobicContact CB-CD2 4.23Å; K692-L831 HydrophobicContact CD-CD2 3.61Å; K692-A834 HydrophobicContact CD-CB 4.24Å; K692-L835 HydrophobicContact CB-CD2 4.13Å
693	T	93.6	Very high	91.7	Very high	50 Å²	50	51.5 Å²	51.5	31%	0.307	26%	0.259	S	S	.	.	I	π-helix	trans	-58.3	-45.6	-180	-60.4	0	0	0	0	110.8	E689 T690 L691 D697 K698	E689-T693 WeakPolarHBondContact O-CB 3.37Å; E689-T693 PolarHBondContact O-N 3.5Å; E689-T693 PolarHBondContact O-OG1 2.87Å; T690-T693 PolarHBondContact O-N 3.41Å; L691-T693 VanDerWaalsContact C-N 3.34Å; L691-T693 PolarHBondContact O-N 3.32Å; T693-D697 PolarHBondContact O-N 2.89Å; T693-K698 HydrophobicContact CG2-CB 4.3Å; T693-K698 HydrophobicContact CG2-CD 3.99Å; T693-K698 HydrophobicContact CG2-CG 4.13Å; T693-K698 WeakPolarHBondContact O-CA 3.3Å; T693-K698 WeakPolarHBondContact O-CB 2.92Å; T693-K698 PolarHBondContact O-N 2.7Å
694	N	94.1	Very high	92.4	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	25%	0.251	C	S	.	.	I	π-helix	trans	-78	-37.4	-175.9	-74.8	-39.3	0	0	0	114	Q658 M662 T690 L691 K692 R772 Y776	Q658-N694 PolarHBondContact OE1-ND2 3.43Å; M662-N694 HydrophobicContact CE-CB 4.43Å; M662-N694 HydrophobicContact CG-CB 4.35Å; M662-N694 HydrophobicContact SD-CB 3.48Å; M662-N694 WeakPolarHBondContact SD-CB 3.34Å; T690-N694 WeakPolarHBondContact O-CB 3.44Å; T690-N694 PolarHBondContact O-N 2.94Å; T690-N694 PolarHBondContact O-ND2 2.77Å; L691-N694 PolarHBondContact O-N 3.03Å; K692-N694 VanDerWaalsContact C-N 3.29Å; K692-N694 PolarHBondContact O-N 2.88Å; N694-R772 VanDerWaalsContact OD1-CZ 3.3Å; N694-R772 PolarHBondContact OD1-NH1 2.87Å; N694-R772 PolarHBondContact OD1-NH2 3.46Å; N694-Y776 WeakPolarHBondContact CB-OH 3.46Å; N694-Y776 PolarHBondContact O-OH 3.44Å; N694-Y776 VanDerWaalsContact O-OH 3.05Å
695	L	91.1	Very high	92.8	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	27%	0.267	C	S	.	.	I	π-helix	trans	-88.6	-30.2	-176.5	-66.7	178	0	0	0	114.2	M662 F665 L666 L691 L844	M662-L695 HydrophobicContact CB-CD2 4.21Å; M662-L695 HydrophobicContact CG-CD1 4.48Å; M662-L695 HydrophobicContact CG-CD2 3.91Å; M662-L695 HydrophobicContact CG-CG 4.03Å; M662-L695 HydrophobicContact SD-CD2 3.73Å; M662-L695 HydrophobicContact SD-CG 4.16Å; F665-L695 HydrophobicContact CD1-CD1 3.7Å; F665-L695 HydrophobicContact CE1-CD1 4.05Å; L666-L695 HydrophobicContact CD1-CD2 4.39Å; L691-L695 HydrophobicContact CD2-CD1 3.9Å; L691-L695 HydrophobicContact CG-CD1 3.89Å; L691-L695 WeakPolarHBondContact O-CB 3.26Å; L691-L695 WeakPolarHBondContact O-CG 3.29Å; L691-L695 PolarHBondContact O-N 3.31Å; L695-L844 HydrophobicContact CD2-CD2 3.97Å
696	L	88.7	Confident	93.3	Very high	68 Å²	68	51.7 Å²	51.7	36%	0.356	26%	0.261	S	S	.	.	I	π-helix	trans	-115.1	-52.1	-171.7	-69.3	155.4	0	0	0	112.4	K692 A834 L835 F838	K692-L696 HydrophobicContact CB-CD1 4.43Å; K692-L696 HydrophobicContact CG-CB 4.31Å; K692-L696 HydrophobicContact CG-CD1 3.85Å; K692-L696 WeakPolarHBondContact O-CA 3.3Å; K692-L696 VanDerWaalsContact O-CB 3.3Å; K692-L696 WeakPolarHBondContact O-CB 3.2Å; K692-L696 PolarHBondContact O-N 3.35Å; L696-A834 HydrophobicContact CD1-CB 4.49Å; L696-L835 HydrophobicContact CD1-CD2 4Å; L696-F838 HydrophobicContact CD2-CD2 3.61Å; L696-F838 HydrophobicContact CD2-CE2 4.3Å; L696-F838 HydrophobicContact CD2-CG 4.48Å; L696-F838 HydrophobicContact CG-CD2 4.21Å
697	D	90.5	Very high	93.8	Very high	92 Å²	92	45.8 Å²	45.8	49%	0.492	23%	0.233	S	C	.	.	I	π-helix	trans	-87.5	-38.5	-165.5	-57.3	-24.5	0	0	0	113.7	K692 T693	K692-D697 IonicContact NZ-OD1 3.16Å; K692-D697 PolarHBondContact NZ-OD1 2.99Å; K692-D697 IonicContact NZ-OD2 2.86Å; K692-D697 PolarHBondContact NZ-OD2 2.78Å; K692-D697 PolarHBondContact O-N 2.92Å; T693-D697 PolarHBondContact O-N 2.89Å
698	K	91	Very high	94.2	Very high	124 Å²	124	46.3 Å²	46.3	54%	0.539	24%	0.236	S	C	.	.	S	Bend	trans	-131.1	35.9	-171.9	-61.5	-168.1	177.8	-176.2	0	112.3	T693	T693-K698 HydrophobicContact CG2-CB 4.3Å; T693-K698 HydrophobicContact CG2-CD 3.99Å; T693-K698 HydrophobicContact CG2-CG 4.13Å; T693-K698 WeakPolarHBondContact O-CA 3.3Å; T693-K698 WeakPolarHBondContact O-CB 2.92Å; T693-K698 PolarHBondContact O-N 2.7Å
699	R	92.6	Very high	94.4	Very high	90 Å²	90	48.1 Å²	48.1	34%	0.34	24%	0.243	S	C	.	.			trans	-72.7	122.2	174.5	-171.1	-177.2	75.3	178	3.6	109.8	Y776	R699-Y776 HydrophobicContact CG-CD1 4.02Å; R699-Y776 HydrophobicContact CG-CE1 3.76Å
700	P	95.6	Very high	94.7	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.071	23%	0.232	C	C	.	.			trans	-72.2	144.7	177.3	31.2	-34.3	0	0	0	110.9	D705 Y776 I778	P700-D705 HydrophobicContact CB-CB 3.76Å; P700-Y776 HydrophobicContact CG-CD1 4.13Å; P700-Y776 HydrophobicContact CG-CD2 3.63Å; P700-Y776 HydrophobicContact CG-CE1 4.45Å; P700-Y776 HydrophobicContact CG-CE2 4.01Å; P700-Y776 HydrophobicContact CG-CG 3.69Å; P700-I778 HydrophobicContact CB-CD1 3.75Å; P700-I778 HydrophobicContact CG-CD1 3.82Å
701	N	92.6	Very high	95	Very high	118 Å²	118	44.2 Å²	44.2	63%	0.631	22%	0.22	S	C	*	.	S	Bend	trans	-114.9	-15.3	171.2	-53	-76.8	0	0	0	112.2	D705	N701-D705 PolarHBondContact N-OD2 3.05Å
702	S	96.5	Very high	95.2	Very high	38 Å²	38	46.7 Å²	46.7	27%	0.266	23%	0.233	S	C	.	.	S	Bend	trans	-141.2	172.6	174.1	82.1	0	0	0	0	112.1	E704 D705 C706	S702-E704 VanDerWaalsContact C-N 3.27Å; S702-E704 WeakPolarHBondContact CB-OE2 3.29Å; S702-E704 PolarHBondContact O-N 3.4Å; S702-E704 PolarHBondContact OG-N 3.46Å; S702-E704 PolarHBondContact OG-OE2 2.99Å; S702-D705 PolarHBondContact N-OD2 2.92Å; S702-D705 WeakPolarHBondContact O-CB 3.4Å; S702-D705 PolarHBondContact O-N 2.99Å; S702-D705 PolarHBondContact OG-N 2.98Å; S702-C706 PolarHBondContact O-N 2.78Å
703	F	97.4	Very high	95.4	Very high	16 Å²	16	45.1 Å²	45.1	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-30.7	176.2	-170.3	-95.4	0	0	0	111.8	D705 C706 V707 S769 N770 A773 I778 P779 C781 I787	F703-D705 VanDerWaalsContact C-N 3.3Å; F703-D705 PolarHBondContact O-N 3.28Å; F703-C706 WeakPolarHBondContact O-CA 3.25Å; F703-C706 VanDerWaalsContact O-CB 3.31Å; F703-C706 WeakPolarHBondContact O-CB 3.49Å; F703-C706 PolarHBondContact O-N 3.42Å; F703-V707 HydrophobicContact CD1-CG2 3.86Å; F703-V707 HydrophobicContact CE1-CG2 3.52Å; F703-V707 HydrophobicContact CZ-CG2 4.31Å; F703-V707 PolarHBondContact O-N 3.07Å; F703-S769 WeakPolarHBondContact CZ-OG 3.41Å; F703-N770 WeakPolarHBondContact CE2-OD1 3.16Å; F703-A773 HydrophobicContact CD2-CB 3.77Å; F703-A773 HydrophobicContact CE2-CB 3.96Å; F703-I778 HydrophobicContact CB-CG2 4.31Å; F703-P779 WeakPolarHBondContact CD2-O 3.21Å; F703-C781 HydrophobicContact CD1-CB 3.82Å; F703-C781 HydrophobicContact CD2-CB 4.4Å; F703-C781 HydrophobicContact CE1-CB 3.52Å; F703-C781 HydrophobicContact CE2-CB 4.14Å; F703-C781 HydrophobicContact CG-CB 4.26Å; F703-C781 HydrophobicContact CZ-CB 3.7Å; F703-I787 HydrophobicContact CE1-CD1 4.47Å; F703-I787 HydrophobicContact CE1-CG1 4.11Å; F703-I787 HydrophobicContact CZ-CD1 4.49Å
704	E	97.4	Very high	95.7	Very high	77 Å²	77	42.8 Å²	42.8	36%	0.36	21%	0.213	S	C	.	.	H	α-helix	trans	-61.9	-36.4	174	-61.7	73.4	-165	0	0	112.1	S702 C706 V707 T708 I790	S702-E704 VanDerWaalsContact C-N 3.27Å; S702-E704 WeakPolarHBondContact CB-OE2 3.29Å; S702-E704 PolarHBondContact O-N 3.4Å; S702-E704 PolarHBondContact OG-N 3.46Å; S702-E704 PolarHBondContact OG-OE2 2.99Å; E704-C706 VanDerWaalsContact C-N 3.32Å; E704-V707 PolarHBondContact O-N 3.33Å; E704-T708 WeakPolarHBondContact O-CB 3.13Å; E704-T708 PolarHBondContact O-N 3.4Å; E704-T708 PolarHBondContact O-OG1 3.19Å; E704-I790 HydrophobicContact CB-CG2 4.1Å; E704-I790 HydrophobicContact CG-CD1 4.01Å; E704-I790 HydrophobicContact CG-CG1 4.24Å; E704-I790 HydrophobicContact CG-CG2 4.1Å
705	D	97.2	Very high	95.9	Very high	65 Å²	65	43.8 Å²	43.8	35%	0.348	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-38.9	171.9	-67.4	-25.7	0	0	0	111.1	P700 N701 S702 F703 T708 W709	P700-D705 HydrophobicContact CB-CB 3.76Å; N701-D705 PolarHBondContact N-OD2 3.05Å; S702-D705 PolarHBondContact N-OD2 2.92Å; S702-D705 WeakPolarHBondContact O-CB 3.4Å; S702-D705 PolarHBondContact O-N 2.99Å; S702-D705 PolarHBondContact OG-N 2.98Å; F703-D705 VanDerWaalsContact C-N 3.3Å; F703-D705 PolarHBondContact O-N 3.28Å; D705-T708 PolarHBondContact O-N 3.49Å; D705-W709 WeakPolarHBondContact O-CB 3.35Å; D705-W709 PolarHBondContact O-N 2.95Å
706	C	98.1	Very high	96.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-40.8	175.6	-61.9	0	0	0	0	112	S702 F703 E704 W709 A710 S769 R772	S702-C706 PolarHBondContact O-N 2.78Å; F703-C706 WeakPolarHBondContact O-CA 3.25Å; F703-C706 VanDerWaalsContact O-CB 3.31Å; F703-C706 WeakPolarHBondContact O-CB 3.49Å; F703-C706 PolarHBondContact O-N 3.42Å; E704-C706 VanDerWaalsContact C-N 3.32Å; C706-W709 PolarHBondContact O-N 2.85Å; C706-A710 WeakPolarHBondContact O-CB 3.38Å; C706-A710 PolarHBondContact O-N 2.77Å; C706-S769 WeakPolarHBondContact CB-O 3.25Å; C706-R772 HydrophobicContact CB-CB 4.3Å; C706-R772 HydrophobicContact CB-CG 4.39Å
707	V	98.4	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-42.7	174.8	174.8	0	0	0	0	110.9	F703 E704 W709 A710 R711 I765 I787 I790 V791	F703-V707 HydrophobicContact CD1-CG2 3.86Å; F703-V707 HydrophobicContact CE1-CG2 3.52Å; F703-V707 HydrophobicContact CZ-CG2 4.31Å; F703-V707 PolarHBondContact O-N 3.07Å; E704-V707 PolarHBondContact O-N 3.33Å; V707-W709 PolarHBondContact O-N 3.45Å; V707-A710 PolarHBondContact O-N 3.22Å; V707-R711 WeakPolarHBondContact O-CB 3.44Å; V707-R711 PolarHBondContact O-N 2.92Å; V707-I765 HydrophobicContact CG1-CG2 4.09Å; V707-I787 HydrophobicContact CG2-CG2 4.4Å; V707-I790 HydrophobicContact CB-CB 4.49Å; V707-I790 HydrophobicContact CB-CG2 3.79Å; V707-I790 HydrophobicContact CG1-CB 4.06Å; V707-I790 HydrophobicContact CG1-CG2 3.65Å; V707-I790 HydrophobicContact CG2-CD1 4.49Å; V707-I790 HydrophobicContact CG2-CG2 4.28Å; V707-V791 HydrophobicContact CG1-CB 3.96Å; V707-V791 HydrophobicContact CG1-CG2 4.27Å
708	T	98	Very high	97	Very high	51 Å²	51	40.7 Å²	40.7	31%	0.313	20%	0.201	S	C	.	.	H	α-helix	trans	-59.3	-47.3	175.3	-60.3	0	0	0	0	110.9	E704 D705 A710 R711 L712 V794	E704-T708 WeakPolarHBondContact O-CB 3.13Å; E704-T708 PolarHBondContact O-N 3.4Å; E704-T708 PolarHBondContact O-OG1 3.19Å; D705-T708 PolarHBondContact O-N 3.49Å; T708-A710 PolarHBondContact O-N 2.85Å; T708-R711 PolarHBondContact O-N 3.17Å; T708-L712 HydrophobicContact CG2-CD1 4.22Å; T708-L712 VanDerWaalsContact O-CG 3.31Å; T708-L712 WeakPolarHBondContact O-CG 3.48Å; T708-L712 PolarHBondContact O-N 3.03Å; T708-V794 HydrophobicContact CG2-CG1 4.04Å
709	W	98	Very high	97.4	Very high	39 Å²	39	35.6 Å²	35.6	15%	0.148	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-47.2	175.2	171.9	86	0	0	0	112	L654 F655 D705 C706 V707 R711 L712 L713 A768 R772	L654-W709 HydrophobicContact CD1-CH2 4.34Å; L654-W709 HydrophobicContact CD2-CZ2 4.29Å; F655-W709 AromaticContact CE1-CH2 3.77Å; F655-W709 HydrophobicContact CE1-CH2 3.77Å; F655-W709 HydrophobicContact CE1-CZ3 4.15Å; F655-W709 AromaticContact CZ-CH2 3.92Å; F655-W709 HydrophobicContact CZ-CH2 3.92Å; F655-W709 HydrophobicContact CZ-CZ3 4.31Å; D705-W709 WeakPolarHBondContact O-CB 3.35Å; D705-W709 PolarHBondContact O-N 2.95Å; C706-W709 PolarHBondContact O-N 2.85Å; V707-W709 PolarHBondContact O-N 3.45Å; W709-R711 VanDerWaalsContact C-N 3.34Å; W709-R711 PolarHBondContact O-N 2.96Å; W709-L712 PolarHBondContact O-N 3.34Å; W709-L713 HydrophobicContact CH2-CD2 3.65Å; W709-L713 HydrophobicContact CZ2-CD2 3.88Å; W709-L713 HydrophobicContact CZ3-CD2 4.15Å; W709-L713 WeakPolarHBondContact O-CB 3.27Å; W709-L713 PolarHBondContact O-N 3.05Å; W709-A768 HydrophobicContact CZ3-CB 4.07Å; W709-A768 WeakPolarHBondContact CZ3-O 3.38Å; W709-R772 HydrophobicContact CD2-CG 4.13Å; W709-R772 HydrophobicContact CE3-CB 3.83Å; W709-R772 HydrophobicContact CE3-CG 3.81Å; W709-R772 HydrophobicContact CZ3-CB 3.78Å; W709-R772 HydrophobicContact CZ3-CG 4.11Å
710	A	98.5	Very high	97.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-40.1	179.8	0	0	0	0	0	112.1	C706 V707 T708 L713 W714 I765 A768	C706-A710 WeakPolarHBondContact O-CB 3.38Å; C706-A710 PolarHBondContact O-N 2.77Å; V707-A710 PolarHBondContact O-N 3.22Å; T708-A710 PolarHBondContact O-N 2.85Å; A710-L713 PolarHBondContact O-N 2.59Å; A710-W714 PolarHBondContact O-N 2.7Å; A710-I765 HydrophobicContact CB-CD1 4.23Å; A710-I765 HydrophobicContact CB-CG2 4.28Å; A710-A768 HydrophobicContact CB-CB 3.85Å
711	R	98.3	Very high	97.7	Very high	22 Å²	22	34.8 Å²	34.8	8%	0.083	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-38.9	177.6	-179.9	56.9	-168.9	90.9	-0.8	113.1	V707 T708 W709 W714 Q715 F754 I765 V791 V794 V796	V707-R711 WeakPolarHBondContact O-CB 3.44Å; V707-R711 PolarHBondContact O-N 2.92Å; T708-R711 PolarHBondContact O-N 3.17Å; W709-R711 VanDerWaalsContact C-N 3.34Å; W709-R711 PolarHBondContact O-N 2.96Å; R711-W714 PolarHBondContact O-N 3.3Å; R711-Q715 PolarHBondContact O-N 3.12Å; R711-F754 VanDerWaalsContact NE-CG 3.28Å; R711-I765 VanDerWaalsContact CA-CD1 3.48Å; R711-I765 HydrophobicContact CB-CD1 4.09Å; R711-V791 HydrophobicContact CB-CG2 3.76Å; R711-V791 HydrophobicContact CG-CG2 3.76Å; R711-V794 HydrophobicContact CB-CB 4.4Å; R711-V794 HydrophobicContact CB-CG1 4.08Å; R711-V794 HydrophobicContact CB-CG2 4.38Å; R711-V794 HydrophobicContact CG-CB 4.08Å; R711-V794 HydrophobicContact CG-CG1 3.88Å; R711-V796 HydrophobicContact CG-CG2 4.29Å
712	L	98.2	Very high	97.9	Very high	55 Å²	55	29.2 Å²	29.2	29%	0.288	16%	0.155	S	C	.	.	H	α-helix	trans	-70.3	-36.2	175	-66	177.3	0	0	0	111.6	T708 W709 Q715 D716 V796	T708-L712 HydrophobicContact CG2-CD1 4.22Å; T708-L712 VanDerWaalsContact O-CG 3.31Å; T708-L712 WeakPolarHBondContact O-CG 3.48Å; T708-L712 PolarHBondContact O-N 3.03Å; W709-L712 PolarHBondContact O-N 3.34Å; L712-Q715 WeakPolarHBondContact O-CB 3.29Å; L712-Q715 PolarHBondContact O-N 2.97Å; L712-D716 PolarHBondContact O-N 2.92Å; L712-V796 HydrophobicContact CD2-CG2 4.47Å
713	L	98.2	Very high	97.9	Very high	22 Å²	22	28.6 Å²	28.6	12%	0.115	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-46.4	172.3	179.9	66.5	0	0	0	111	L654 W709 A710 Q715 D716 L717 F764	L654-L713 HydrophobicContact CD1-CD1 4.4Å; L654-L713 HydrophobicContact CD1-CD2 3.55Å; W709-L713 HydrophobicContact CH2-CD2 3.65Å; W709-L713 HydrophobicContact CZ2-CD2 3.88Å; W709-L713 HydrophobicContact CZ3-CD2 4.15Å; W709-L713 WeakPolarHBondContact O-CB 3.27Å; W709-L713 PolarHBondContact O-N 3.05Å; A710-L713 PolarHBondContact O-N 2.59Å; L713-Q715 VanDerWaalsContact C-N 3.28Å; L713-Q715 PolarHBondContact O-N 2.95Å; L713-D716 PolarHBondContact O-N 3.25Å; L713-D716 VanDerWaalsContact O-N 3.15Å; L713-L717 HydrophobicContact CD1-CD1 3.78Å; L713-L717 HydrophobicContact CD1-CD2 4.4Å; L713-L717 HydrophobicContact CD1-CG 3.94Å; L713-L717 HydrophobicContact CD2-CD1 4.38Å; L713-L717 HydrophobicContact CG-CD1 3.76Å; L713-L717 HydrophobicContact CG-CG 4.26Å; L713-L717 WeakPolarHBondContact O-CG 3.38Å; L713-L717 PolarHBondContact O-N 3.12Å; L713-F764 HydrophobicContact CD2-CE1 4.49Å; L713-F764 HydrophobicContact CD2-CZ 3.97Å; L713-F764 HydrophobicContact CG-CZ 4.19Å
714	W	98.7	Very high	97.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55.1	-46.5	174.3	-173.7	101.9	0	0	0	111	A710 R711 D716 L717 F718 L752 Q753 F754 H761 F764 I765 L870	A710-W714 PolarHBondContact O-N 2.7Å; R711-W714 PolarHBondContact O-N 3.3Å; W714-D716 VanDerWaalsContact C-N 3.29Å; W714-D716 PolarHBondContact O-N 3Å; W714-L717 PolarHBondContact O-N 2.96Å; W714-F718 HydrophobicContact CB-CD2 4.31Å; W714-F718 AromaticContact CD1-CD2 3.53Å; W714-F718 AromaticContact CD1-CE2 3.73Å; W714-F718 AromaticContact CD2-CD2 3.95Å; W714-F718 HydrophobicContact CD2-CD2 3.95Å; W714-F718 AromaticContact CE2-CD2 3.92Å; W714-F718 AromaticContact CG-CD2 3.7Å; W714-F718 HydrophobicContact CG-CD2 3.7Å; W714-F718 HydrophobicContact CG-CE2 4.16Å; W714-F718 HydrophobicContact CZ2-CB 4.4Å; W714-F718 AromaticContact NE1-CD2 3.67Å; W714-F718 VanDerWaalsContact O-CD2 3.31Å; W714-F718 WeakPolarHBondContact O-CD2 3.25Å; W714-F718 PolarHBondContact O-N 3.16Å; W714-F718 VanDerWaalsContact O-N 3.07Å; W714-L752 HydrophobicContact CH2-CB 3.59Å; W714-L752 HydrophobicContact CZ2-CB 3.92Å; W714-L752 HydrophobicContact CZ2-CD1 4.34Å; W714-Q753 VanDerWaalsContact CH2-C 3.45Å; W714-F754 HydrophobicContact CD2-CB 4.47Å; W714-F754 AromaticContact CD2-CD2 3.69Å; W714-F754 HydrophobicContact CD2-CD2 3.69Å; W714-F754 AromaticContact CE2-CD2 3.79Å; W714-F754 HydrophobicContact CE3-CB 3.89Å; W714-F754 AromaticContact CE3-CD2 3.93Å; W714-F754 HydrophobicContact CE3-CD2 3.93Å; W714-F754 HydrophobicContact CE3-CG 4.37Å; W714-F754 HydrophobicContact CG-CD2 4.13Å; W714-F754 VanDerWaalsContact CH2-CA 3.45Å; W714-F754 HydrophobicContact CH2-CB 3.81Å; W714-F754 HydrophobicContact CH2-CD2 4.43Å; W714-F754 VanDerWaalsContact CH2-N 3.27Å; W714-F754 HydrophobicContact CZ2-CB 4.33Å; W714-F754 HydrophobicContact CZ2-CD2 4.17Å; W714-F754 HydrophobicContact CZ3-CB 3.57Å; W714-F754 HydrophobicContact CZ3-CD2 4.32Å; W714-F754 HydrophobicContact CZ3-CG 4.46Å; W714-H761 AromaticContact CZ2-CE1 3.72Å; W714-H761 AromaticContact CZ2-ND1 3.84Å; W714-H761 AromaticContact CZ2-NE2 3.9Å; W714-F764 HydrophobicContact CB-CD1 3.97Å; W714-F764 HydrophobicContact CB-CE1 3.75Å; W714-F764 AromaticContact CD1-CD1 3.57Å; W714-F764 HydrophobicContact CG-CD1 4.19Å; W714-F764 HydrophobicContact CG-CE1 4.36Å; W714-I765 HydrophobicContact CB-CD1 3.97Å; W714-I765 HydrophobicContact CG-CD1 4.46Å; W714-L870 HydrophobicContact CZ2-CD2 4.31Å
715	Q	98.5	Very high	97.8	Very high	29 Å²	29	25.2 Å²	25.2	14%	0.136	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-44	178.9	-170.8	64.2	38	0	0	111.5	R711 L712 L713 S719 N720 V796	R711-Q715 PolarHBondContact O-N 3.12Å; L712-Q715 WeakPolarHBondContact O-CB 3.29Å; L712-Q715 PolarHBondContact O-N 2.97Å; L713-Q715 VanDerWaalsContact C-N 3.28Å; L713-Q715 PolarHBondContact O-N 2.95Å; Q715-S719 PolarHBondContact NE2-OG 3.38Å; Q715-S719 VanDerWaalsContact O-CB 3.29Å; Q715-S719 WeakPolarHBondContact O-CB 3.27Å; Q715-S719 PolarHBondContact O-N 2.99Å; Q715-N720 PolarHBondContact NE2-OD1 2.85Å; Q715-N720 PolarHBondContact O-N 3.17Å; Q715-N720 PolarHBondContact O-OD1 3.31Å; Q715-V796 HydrophobicContact CB-CG1 4.07Å; Q715-V796 HydrophobicContact CG-CG1 3.48Å; Q715-V796 VanDerWaalsContact CG-CG1 3.48Å
716	D	97.9	Very high	97.8	Very high	76 Å²	76	23.4 Å²	23.4	41%	0.406	13%	0.128	S	C	.	.	I	π-helix	trans	-67.6	-46.3	-176.1	-163.8	54	0	0	0	112	L712 L713 W714 T721	L712-D716 PolarHBondContact O-N 2.92Å; L713-D716 PolarHBondContact O-N 3.25Å; L713-D716 VanDerWaalsContact O-N 3.15Å; W714-D716 VanDerWaalsContact C-N 3.29Å; W714-D716 PolarHBondContact O-N 3Å; D716-T721 VanDerWaalsContact O-CB 3.26Å; D716-T721 WeakPolarHBondContact O-CB 3.41Å; D716-T721 PolarHBondContact O-N 3.3Å; D716-T721 PolarHBondContact O-OG1 2.83Å
717	L	98.1	Very high	97.7	Very high	22 Å²	22	28.1 Å²	28.1	12%	0.115	15%	0.148	C	C	.	.	I	π-helix	trans	-72.6	-48.9	-174.5	-64.6	176.5	0	0	0	112.9	W646 L650 L713 W714 F764	W646-L717 HydrophobicContact CH2-CD1 4.26Å; W646-L717 HydrophobicContact CZ2-CD2 4.17Å; L650-L717 HydrophobicContact CD1-CD1 4.3Å; L650-L717 HydrophobicContact CD1-CD2 4.37Å; L650-L717 HydrophobicContact CD2-CD1 3.56Å; L713-L717 HydrophobicContact CD1-CD1 3.78Å; L713-L717 HydrophobicContact CD1-CD2 4.4Å; L713-L717 HydrophobicContact CD1-CG 3.94Å; L713-L717 HydrophobicContact CD2-CD1 4.38Å; L713-L717 HydrophobicContact CG-CD1 3.76Å; L713-L717 HydrophobicContact CG-CG 4.26Å; L713-L717 WeakPolarHBondContact O-CG 3.38Å; L713-L717 PolarHBondContact O-N 3.12Å; W714-L717 PolarHBondContact O-N 2.96Å; L717-F764 HydrophobicContact CD1-CZ 4.13Å
718	F	98.6	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-101.5	-6.7	-166.7	-50.4	-65.4	0	0	0	113.6	W646 W714 L752 F764 A867 L870 R871 N874	W646-F718 AromaticContact CH2-CE1 3.8Å; W646-F718 HydrophobicContact CH2-CE1 3.8Å; W646-F718 HydrophobicContact CH2-CZ 4.16Å; W646-F718 HydrophobicContact CZ3-CE1 4.12Å; W714-F718 HydrophobicContact CB-CD2 4.31Å; W714-F718 AromaticContact CD1-CD2 3.53Å; W714-F718 AromaticContact CD1-CE2 3.73Å; W714-F718 AromaticContact CD2-CD2 3.95Å; W714-F718 HydrophobicContact CD2-CD2 3.95Å; W714-F718 AromaticContact CE2-CD2 3.92Å; W714-F718 AromaticContact CG-CD2 3.7Å; W714-F718 HydrophobicContact CG-CD2 3.7Å; W714-F718 HydrophobicContact CG-CE2 4.16Å; W714-F718 HydrophobicContact CZ2-CB 4.4Å; W714-F718 AromaticContact NE1-CD2 3.67Å; W714-F718 VanDerWaalsContact O-CD2 3.31Å; W714-F718 WeakPolarHBondContact O-CD2 3.25Å; W714-F718 PolarHBondContact O-N 3.16Å; W714-F718 VanDerWaalsContact O-N 3.07Å; F718-L752 HydrophobicContact CB-CB 4.47Å; F718-L752 HydrophobicContact CB-CD1 4.21Å; F718-L752 HydrophobicContact CB-CG 4.46Å; F718-L752 PolarHBondContact O-N 3.15Å; F718-F764 HydrophobicContact CE2-CD1 4.37Å; F718-F764 HydrophobicContact CE2-CD2 4.04Å; F718-F764 HydrophobicContact CE2-CE1 4.15Å; F718-F764 AromaticContact CE2-CE2 3.79Å; F718-F764 HydrophobicContact CE2-CE2 3.79Å; F718-F764 HydrophobicContact CE2-CG 4.32Å; F718-F764 AromaticContact CE2-CZ 3.85Å; F718-F764 HydrophobicContact CE2-CZ 3.85Å; F718-F764 HydrophobicContact CZ-CD2 4.16Å; F718-F764 AromaticContact CZ-CE2 3.87Å; F718-F764 HydrophobicContact CZ-CE2 3.87Å; F718-F764 HydrophobicContact CZ-CZ 4.31Å; F718-A867 HydrophobicContact CZ-CB 4.41Å; F718-L870 HydrophobicContact CD1-CB 3.66Å; F718-L870 HydrophobicContact CD2-CB 4.25Å; F718-L870 HydrophobicContact CD2-CD1 3.99Å; F718-L870 HydrophobicContact CE1-CB 3.46Å; F718-L870 VanDerWaalsContact CE1-CB 3.46Å; F718-L870 HydrophobicContact CE1-CD1 4.39Å; F718-L870 HydrophobicContact CE2-CB 4.1Å; F718-L870 HydrophobicContact CE2-CD1 3.52Å; F718-L870 HydrophobicContact CE2-CG 4.4Å; F718-L870 HydrophobicContact CG-CB 4.05Å; F718-L870 HydrophobicContact CZ-CB 3.71Å; F718-L870 HydrophobicContact CZ-CD1 3.75Å; F718-L870 HydrophobicContact CZ-CG 4.38Å; F718-R871 HydrophobicContact CE1-CB 4.22Å; F718-N874 WeakPolarHBondContact CD1-OD1 3.42Å; F718-N874 PolarHBondContact O-ND2 3.34Å
719	S	98.4	Very high	97.2	Very high	17 Å²	17	28.9 Å²	28.9	12%	0.119	15%	0.149	C	C	.	.	I	π-helix	trans	-128.2	-61.4	-179.1	-158.2	0	0	0	0	112	Q715 I722 A723 L752	Q715-S719 PolarHBondContact NE2-OG 3.38Å; Q715-S719 VanDerWaalsContact O-CB 3.29Å; Q715-S719 WeakPolarHBondContact O-CB 3.27Å; Q715-S719 PolarHBondContact O-N 2.99Å; S719-I722 PolarHBondContact O-N 3.48Å; S719-A723 WeakPolarHBondContact O-CB 3.47Å; S719-A723 PolarHBondContact O-N 2.9Å; S719-L752 WeakPolarHBondContact CB-O 3.25Å; S719-L752 PolarHBondContact OG-O 3.32Å
720	N	97.9	Very high	97	Very high	20 Å²	20	29.5 Å²	29.5	11%	0.107	16%	0.158	C	C	.	.	I	π-helix	trans	-67.3	-48.7	-172.7	-60.7	-10.9	0	0	0	112.4	Q715 I722 A723 Q724 F799	Q715-N720 PolarHBondContact NE2-OD1 2.85Å; Q715-N720 PolarHBondContact O-N 3.17Å; Q715-N720 PolarHBondContact O-OD1 3.31Å; N720-I722 PolarHBondContact O-N 2.87Å; N720-A723 PolarHBondContact O-N 3.37Å; N720-Q724 PolarHBondContact O-N 3.47Å; N720-F799 HydrophobicContact CB-CB 4.22Å; N720-F799 HydrophobicContact CB-CD1 3.87Å; N720-F799 HydrophobicContact CB-CD2 3.65Å; N720-F799 HydrophobicContact CB-CE1 4.13Å; N720-F799 HydrophobicContact CB-CE2 3.93Å; N720-F799 HydrophobicContact CB-CG 3.62Å; N720-F799 HydrophobicContact CB-CZ 4.17Å; N720-F799 WeakPolarHBondContact O-CE1 3.33Å; N720-F799 WeakPolarHBondContact O-CZ 3.48Å; N720-F799 VanDerWaalsContact OD1-CB 3.23Å; N720-F799 WeakPolarHBondContact OD1-CB 3.37Å
721	T	96.2	Very high	96.8	Very high	63 Å²	63	37.4 Å²	37.4	39%	0.387	19%	0.188	S	C	.	.	H	α-helix	trans	-61.4	-36.8	179.2	-60.7	0	0	0	0	111	D716 Q724 L725	D716-T721 VanDerWaalsContact O-CB 3.26Å; D716-T721 WeakPolarHBondContact O-CB 3.41Å; D716-T721 PolarHBondContact O-N 3.3Å; D716-T721 PolarHBondContact O-OG1 2.83Å; T721-Q724 PolarHBondContact O-N 3.3Å; T721-L725 WeakPolarHBondContact O-CB 3.34Å; T721-L725 PolarHBondContact O-N 3.4Å
722	I	97.5	Very high	96.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-70.7	-41.7	177	-55.9	-61.5	0	0	0	111.4	S719 N720 Q724 L725 L726 P749 P751 N874 Y875	S719-I722 PolarHBondContact O-N 3.48Å; N720-I722 PolarHBondContact O-N 2.87Å; I722-Q724 VanDerWaalsContact C-N 3.29Å; I722-Q724 PolarHBondContact O-N 3.14Å; I722-L725 WeakPolarHBondContact O-CB 3.24Å; I722-L725 PolarHBondContact O-N 3.17Å; I722-L725 VanDerWaalsContact O-N 3.17Å; I722-L726 HydrophobicContact CG2-CD1 4.44Å; I722-L726 PolarHBondContact O-N 3.06Å; I722-P749 HydrophobicContact CD1-CB 4.45Å; I722-P749 HydrophobicContact CG2-CB 3.78Å; I722-P749 HydrophobicContact CG2-CG 4.06Å; I722-P751 HydrophobicContact CB-CG 4.44Å; I722-P751 HydrophobicContact CG2-CB 4.45Å; I722-P751 HydrophobicContact CG2-CG 4.06Å; I722-N874 HydrophobicContact CD1-CB 4.32Å; I722-Y875 HydrophobicContact CD1-CE2 3.96Å
723	A	97	Very high	96.2	Very high	26 Å²	26	43.2 Å²	43.2	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-38	173.9	0	0	0	0	0	111.7	S719 N720 F727 P751 F799	S719-A723 WeakPolarHBondContact O-CB 3.47Å; S719-A723 PolarHBondContact O-N 2.9Å; N720-A723 PolarHBondContact O-N 3.37Å; A723-F727 WeakPolarHBondContact O-CB 3.44Å; A723-F727 PolarHBondContact O-N 2.89Å; A723-P751 HydrophobicContact CB-CG 4.14Å; A723-F799 HydrophobicContact CB-CD1 4.11Å; A723-F799 HydrophobicContact CB-CE1 4.02Å
724	Q	96.7	Very high	95.9	Very high	17 Å²	17	45.8 Å²	45.8	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-42.9	172.4	-173.9	63.7	65.8	0	0	111.6	N720 T721 I722 L726 F727 N728 F799 R802 V805	N720-Q724 PolarHBondContact O-N 3.47Å; T721-Q724 PolarHBondContact O-N 3.3Å; I722-Q724 VanDerWaalsContact C-N 3.29Å; I722-Q724 PolarHBondContact O-N 3.14Å; Q724-L726 PolarHBondContact O-N 3.45Å; Q724-F727 WeakPolarHBondContact O-CB 3.27Å; Q724-F727 PolarHBondContact O-N 3.25Å; Q724-N728 PolarHBondContact NE2-OD1 3.27Å; Q724-N728 PolarHBondContact O-N 3.2Å; Q724-N728 PolarHBondContact O-OD1 2.97Å; Q724-F799 HydrophobicContact CB-CE1 4.29Å; Q724-F799 HydrophobicContact CB-CZ 4.02Å; Q724-R802 PolarHBondContact NE2-O 3.37Å; Q724-V805 HydrophobicContact CG-CB 4.5Å; Q724-V805 HydrophobicContact CG-CG1 4.27Å
725	L	95.8	Very high	95.4	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-44.1	177.8	-180	61.4	0	0	0	111.8	F636 T721 I722 F727 N728 F729 W742 P749 I807 Y875	F636-L725 HydrophobicContact CE1-CD1 4.34Å; T721-L725 WeakPolarHBondContact O-CB 3.34Å; T721-L725 PolarHBondContact O-N 3.4Å; I722-L725 WeakPolarHBondContact O-CB 3.24Å; I722-L725 PolarHBondContact O-N 3.17Å; I722-L725 VanDerWaalsContact O-N 3.17Å; L725-F727 VanDerWaalsContact C-N 3.33Å; L725-F727 PolarHBondContact O-N 3.47Å; L725-N728 WeakPolarHBondContact O-CB 3.31Å; L725-N728 PolarHBondContact O-N 3.33Å; L725-F729 HydrophobicContact CD1-CD2 3.84Å; L725-F729 HydrophobicContact CD1-CE2 4.26Å; L725-F729 PolarHBondContact O-N 3.32Å; L725-W742 HydrophobicContact CD1-CH2 4.47Å; L725-W742 HydrophobicContact CD2-CH2 4.15Å; L725-W742 HydrophobicContact CG-CH2 4.1Å; L725-P749 HydrophobicContact CD2-CG 3.95Å; L725-I807 HydrophobicContact CB-CD1 4.3Å; L725-I807 HydrophobicContact CD1-CD1 3.61Å; L725-I807 HydrophobicContact CD1-CG2 3.95Å; L725-Y875 WeakPolarHBondContact CD2-OH 3.36Å
726	L	96.3	Very high	94.8	Very high	26 Å²	26	52.9 Å²	52.9	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-70.3	-27	176	-70.5	174.9	0	0	0	113.5	I722 Q724 N728 F729 P730 R731 W742 P749 P751	I722-L726 HydrophobicContact CG2-CD1 4.44Å; I722-L726 PolarHBondContact O-N 3.06Å; Q724-L726 PolarHBondContact O-N 3.45Å; L726-N728 VanDerWaalsContact C-N 3.34Å; L726-F729 CarbonylContact O-C 3.6Å; L726-F729 VanDerWaalsContact O-C 3.24Å; L726-P730 VanDerWaalsContact O-CA 3.3Å; L726-P730 WeakPolarHBondContact O-CA 3.28Å; L726-R731 HydrophobicContact CD2-CG 4.17Å; L726-W742 HydrophobicContact CD2-CZ2 4.24Å; L726-P749 HydrophobicContact CD2-CG 4.15Å; L726-P749 HydrophobicContact CG-CG 4.38Å; L726-P751 HydrophobicContact CD1-CG 4.18Å
727	F	95.5	Very high	94.1	Very high	99 Å²	99	54.6 Å²	54.6	43%	0.434	30%	0.3	S	S	.	.	H	α-helix	trans	-68	-38.7	171.6	-179.7	-96.3	0	0	0	111.3	A723 Q724 L725 P801	A723-F727 WeakPolarHBondContact O-CB 3.44Å; A723-F727 PolarHBondContact O-N 2.89Å; Q724-F727 WeakPolarHBondContact O-CB 3.27Å; Q724-F727 PolarHBondContact O-N 3.25Å; L725-F727 VanDerWaalsContact C-N 3.33Å; L725-F727 PolarHBondContact O-N 3.47Å; F727-P801 HydrophobicContact CB-CB 3.59Å; F727-P801 HydrophobicContact CB-CG 4.13Å; F727-P801 HydrophobicContact CD1-CB 3.96Å; F727-P801 HydrophobicContact CD2-CB 3.78Å; F727-P801 HydrophobicContact CD2-CG 4.32Å; F727-P801 HydrophobicContact CE2-CB 4.45Å; F727-P801 HydrophobicContact CG-CB 3.49Å; F727-P801 VanDerWaalsContact CG-CB 3.49Å; F727-P801 HydrophobicContact CG-CG 4.31Å
728	N	93.3	Very high	93.5	Very high	41 Å²	41	56.4 Å²	56.4	22%	0.219	32%	0.323	C	S	.	.	H	α-helix	trans	-71.8	-42.1	175.9	-82	65.4	0	0	0	112.7	Q724 L725 L726 V805 I807	Q724-N728 PolarHBondContact NE2-OD1 3.27Å; Q724-N728 PolarHBondContact O-N 3.2Å; Q724-N728 PolarHBondContact O-OD1 2.97Å; L725-N728 WeakPolarHBondContact O-CB 3.31Å; L725-N728 PolarHBondContact O-N 3.33Å; L726-N728 VanDerWaalsContact C-N 3.34Å; N728-V805 PolarHBondContact ND2-O 3.28Å; N728-I807 HydrophobicContact CB-CD1 3.77Å
729	F	93.9	Very high	92.9	Very high	27 Å²	27	59.3 Å²	59.3	12%	0.118	34%	0.344	C	S	.	.	S	Bend	trans	-128.8	89.5	179.6	-54.6	-71.9	0	0	0	109	L725 L726 H733 F741 W742 I807 V809	L725-F729 HydrophobicContact CD1-CD2 3.84Å; L725-F729 HydrophobicContact CD1-CE2 4.26Å; L725-F729 PolarHBondContact O-N 3.32Å; L726-F729 CarbonylContact O-C 3.6Å; L726-F729 VanDerWaalsContact O-C 3.24Å; F729-H733 AromaticContact CD1-CD2 3.78Å; F729-H733 AromaticContact CD1-NE2 3.78Å; F729-F741 HydrophobicContact CB-CD1 4.08Å; F729-F741 HydrophobicContact CB-CE1 3.77Å; F729-F741 HydrophobicContact CB-CZ 4.29Å; F729-F741 HydrophobicContact CD1-CD2 4.49Å; F729-F741 HydrophobicContact CD1-CE1 4.15Å; F729-F741 HydrophobicContact CD1-CE2 4.01Å; F729-F741 AromaticContact CD1-CZ 3.83Å; F729-F741 HydrophobicContact CD1-CZ 3.83Å; F729-F741 HydrophobicContact CD2-CE1 4.23Å; F729-F741 HydrophobicContact CD2-CZ 4.07Å; F729-F741 HydrophobicContact CE1-CE2 4.16Å; F729-F741 HydrophobicContact CE1-CZ 4.14Å; F729-F741 HydrophobicContact CE2-CZ 4.36Å; F729-F741 HydrophobicContact CG-CD1 4.43Å; F729-F741 AromaticContact CG-CE1 3.79Å; F729-F741 HydrophobicContact CG-CE1 3.79Å; F729-F741 HydrophobicContact CG-CE2 4.44Å; F729-F741 AromaticContact CG-CZ 3.8Å; F729-F741 HydrophobicContact CG-CZ 3.8Å; F729-F741 HydrophobicContact CZ-CZ 4.4Å; F729-W742 HydrophobicContact CB-CZ2 3.77Å; F729-W742 WeakPolarHBondContact O-CZ2 3.41Å; F729-W742 PolarHBondContact O-NE1 2.99Å; F729-I807 HydrophobicContact CE2-CB 3.96Å; F729-I807 HydrophobicContact CE2-CG2 3.99Å; F729-V809 HydrophobicContact CE1-CG2 4.06Å; F729-V809 HydrophobicContact CE2-CG2 4.17Å; F729-V809 HydrophobicContact CZ-CG2 3.45Å; F729-V809 VanDerWaalsContact CZ-CG2 3.45Å
730	P	94.4	Very high	92.3	Very high	51 Å²	51	63.6 Å²	63.6	33%	0.331	37%	0.365	S	S	.	.			trans	-52.6	159.8	176.7	-28.9	36.6	0	0	0	113.1	L726 D732 H733 W742	L726-P730 VanDerWaalsContact O-CA 3.3Å; L726-P730 WeakPolarHBondContact O-CA 3.28Å; P730-D732 VanDerWaalsContact CB-OD1 3.27Å; P730-D732 WeakPolarHBondContact CB-OD1 3.43Å; P730-D732 PolarHBondContact O-N 3.42Å; P730-H733 WeakPolarHBondContact O-CB 3.29Å; P730-H733 PolarHBondContact O-N 3.03Å; P730-W742 PolarHBondContact O-NE1 3.23Å
731	R	93.7	Very high	92	Very high	167 Å²	167	63.4 Å²	63.4	63%	0.63	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29.1	-177.3	-66	-172.1	172.1	147.2	-4.4	113.2	L726	L726-R731 HydrophobicContact CD2-CG 4.17Å
732	D	92.7	Very high	91.8	Very high	132 Å²	132	61.8 Å²	61.8	71%	0.706	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	16.8	177.4	60.6	-28.7	0	0	0	112.6	P730 V734	P730-D732 VanDerWaalsContact CB-OD1 3.27Å; P730-D732 WeakPolarHBondContact CB-OD1 3.43Å; P730-D732 PolarHBondContact O-N 3.42Å; D732-V734 PolarHBondContact O-N 2.84Å
733	H	92	Very high	91.2	Very high	66 Å²	66	64.8 Å²	64.8	31%	0.306	37%	0.371	S	S	.	.			trans	-63.7	131	178.4	-167.5	69.3	0	0	0	110.8	F729 P730 F741	F729-H733 AromaticContact CD1-CD2 3.78Å; F729-H733 AromaticContact CD1-NE2 3.78Å; P730-H733 WeakPolarHBondContact O-CB 3.29Å; P730-H733 PolarHBondContact O-N 3.03Å; H733-F741 HydrophobicContact CB-CB 4.04Å; H733-F741 AromaticContact CD2-CD2 3.81Å; H733-F741 AromaticContact CD2-CG 3.68Å; H733-F741 WeakPolarHBondContact O-CB 3.46Å; H733-F741 PolarHBondContact O-N 2.85Å
734	V	91.4	Very high	90.6	Very high	77 Å²	77	65.4 Å²	65.4	47%	0.467	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-110.3	143	176.2	-65.1	0	0	0	0	110	D732 S739	D732-V734 PolarHBondContact O-N 2.84Å; V734-S739 CarbonylContact C-O 3.51Å; V734-S739 WeakPolarHBondContact CA-O 3.28Å
735	T	87.3	Confident	90.2	Very high	43 Å²	43	66.8 Å²	66.8	26%	0.264	39%	0.39	S	S	.	.			trans	-71.1	171.7	175.3	66.4	0	0	0	0	111	T737 G738 S739 F741	T735-T737 PolarHBondContact O-N 3.02Å; T735-T737 VanDerWaalsContact O-N 3.11Å; T735-T737 PolarHBondContact OG1-N 2.93Å; T735-T737 PolarHBondContact OG1-OG1 2.74Å; T735-G738 PolarHBondContact O-N 2.86Å; T735-S739 PolarHBondContact N-O 2.86Å; T735-S739 PolarHBondContact OG1-N 3.32Å; T735-S739 PolarHBondContact OG1-O 3.05Å; T735-F741 HydrophobicContact CG2-CB 4.34Å; T735-F741 HydrophobicContact CG2-CD2 4.41Å
736	S	86.2	Confident	90	Very high	135 Å²	135	69.4 Å²	69.4	94%	0.944	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.6	174.1	53.2	0	0	0	0	114.1
737	T	84.2	Confident	89.7	Confident	112 Å²	112	70.4 Å²	70.4	69%	0.687	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.4	176.1	54.5	0	0	0	0	113.1	T735 S739	T735-T737 PolarHBondContact O-N 3.02Å; T735-T737 VanDerWaalsContact O-N 3.11Å; T735-T737 PolarHBondContact OG1-N 2.93Å; T735-T737 PolarHBondContact OG1-OG1 2.74Å; T737-S739 VanDerWaalsContact C-N 3.32Å; T737-S739 PolarHBondContact OG1-OG 3.19Å
738	G	85.4	Confident	89.7	Confident	59 Å²	59	67.6 Å²	67.6	61%	0.608	40%	0.395	S	S	*	.	S	Bend	trans	81.1	8.9	-177.5	0	0	0	0	0	114.5	T735	T735-G738 PolarHBondContact O-N 2.86Å
739	S	84.3	Confident	89.9	Confident	61 Å²	61	65.7 Å²	65.7	43%	0.427	39%	0.385	S	S	.	.			trans	-86	151.6	177.5	-37	0	0	0	0	110.3	V734 T735 T737 F741	V734-S739 CarbonylContact C-O 3.51Å; V734-S739 WeakPolarHBondContact CA-O 3.28Å; T735-S739 PolarHBondContact N-O 2.86Å; T735-S739 PolarHBondContact OG1-N 3.32Å; T735-S739 PolarHBondContact OG1-O 3.05Å; T737-S739 VanDerWaalsContact C-N 3.32Å; T737-S739 PolarHBondContact OG1-OG 3.19Å; S739-F741 PolarHBondContact O-N 3.45Å
740	D	87.6	Confident	90	Very high	108 Å²	108	66.9 Å²	66.9	58%	0.578	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-61.9	128.3	174.1	-68.3	-17.5	0	0	0	110.7	S743	D740-S743 WeakPolarHBondContact O-CB 3.46Å; D740-S743 PolarHBondContact O-OG 2.96Å
741	F	91.3	Very high	90.2	Very high	15 Å²	15	66.7 Å²	66.7	7%	0.066	39%	0.39	C	S	.	.	S	Bend	trans	-64.4	-41.9	178.1	175.7	-94.3	0	0	0	111.8	F636 F729 H733 T735 S739 S743 K746 V809	F636-F741 HydrophobicContact CE1-CE1 4.04Å; F636-F741 AromaticContact CE1-CZ 3.85Å; F636-F741 HydrophobicContact CE1-CZ 3.85Å; F636-F741 HydrophobicContact CZ-CZ 4.08Å; F729-F741 HydrophobicContact CB-CD1 4.08Å; F729-F741 HydrophobicContact CB-CE1 3.77Å; F729-F741 HydrophobicContact CB-CZ 4.29Å; F729-F741 HydrophobicContact CD1-CD2 4.49Å; F729-F741 HydrophobicContact CD1-CE1 4.15Å; F729-F741 HydrophobicContact CD1-CE2 4.01Å; F729-F741 AromaticContact CD1-CZ 3.83Å; F729-F741 HydrophobicContact CD1-CZ 3.83Å; F729-F741 HydrophobicContact CD2-CE1 4.23Å; F729-F741 HydrophobicContact CD2-CZ 4.07Å; F729-F741 HydrophobicContact CE1-CE2 4.16Å; F729-F741 HydrophobicContact CE1-CZ 4.14Å; F729-F741 HydrophobicContact CE2-CZ 4.36Å; F729-F741 HydrophobicContact CG-CD1 4.43Å; F729-F741 AromaticContact CG-CE1 3.79Å; F729-F741 HydrophobicContact CG-CE1 3.79Å; F729-F741 HydrophobicContact CG-CE2 4.44Å; F729-F741 AromaticContact CG-CZ 3.8Å; F729-F741 HydrophobicContact CG-CZ 3.8Å; F729-F741 HydrophobicContact CZ-CZ 4.4Å; H733-F741 HydrophobicContact CB-CB 4.04Å; H733-F741 AromaticContact CD2-CD2 3.81Å; H733-F741 AromaticContact CD2-CG 3.68Å; H733-F741 WeakPolarHBondContact O-CB 3.46Å; H733-F741 PolarHBondContact O-N 2.85Å; T735-F741 HydrophobicContact CG2-CB 4.34Å; T735-F741 HydrophobicContact CG2-CD2 4.41Å; S739-F741 PolarHBondContact O-N 3.45Å; F741-S743 VanDerWaalsContact C-N 3.28Å; F741-S743 PolarHBondContact O-N 2.91Å; F741-S743 VanDerWaalsContact O-N 3.09Å; F741-K746 HydrophobicContact CE1-CD 4.23Å; F741-K746 HydrophobicContact CE2-CD 4.23Å; F741-K746 HydrophobicContact CZ-CD 4.03Å; F741-V809 HydrophobicContact CE2-CG1 4.08Å; F741-V809 HydrophobicContact CE2-CG2 4.49Å; F741-V809 HydrophobicContact CZ-CG1 4.43Å
742	W	90.9	Very high	90.4	Very high	30 Å²	30	59 Å²	59	11%	0.114	36%	0.361	C	S	.	.	S	Bend	trans	-86.2	66.3	178.8	-60.4	111.1	0	0	0	111.5	F636 L725 L726 F729 P730 K746 R747 C748 P749	F636-W742 HydrophobicContact CD1-CH2 4.34Å; F636-W742 AromaticContact CD1-CZ3 3.91Å; F636-W742 HydrophobicContact CD1-CZ3 3.91Å; F636-W742 HydrophobicContact CE1-CH2 4.11Å; F636-W742 HydrophobicContact CE1-CZ3 4.08Å; L725-W742 HydrophobicContact CD1-CH2 4.47Å; L725-W742 HydrophobicContact CD2-CH2 4.15Å; L725-W742 HydrophobicContact CG-CH2 4.1Å; L726-W742 HydrophobicContact CD2-CZ2 4.24Å; F729-W742 HydrophobicContact CB-CZ2 3.77Å; F729-W742 WeakPolarHBondContact O-CZ2 3.41Å; F729-W742 PolarHBondContact O-NE1 2.99Å; P730-W742 PolarHBondContact O-NE1 3.23Å; W742-K746 CarbonylContact C-O 3.57Å; W742-K746 VanDerWaalsContact C-O 3.26Å; W742-K746 WeakPolarHBondContact CA-O 3.35Å; W742-K746 HydrophobicContact CE3-CB 4.12Å; W742-R747 WeakPolarHBondContact CZ3-O 3.47Å; W742-C748 HydrophobicContact CB-CB 3.77Å; W742-C748 HydrophobicContact CD2-CB 3.95Å; W742-C748 HydrophobicContact CE3-CB 4.28Å; W742-C748 HydrophobicContact CG-CB 3.74Å; W742-P749 VanDerWaalsContact CH2-CD 3.46Å; W742-P749 HydrophobicContact CH2-CG 4.1Å; W742-P749 HydrophobicContact CZ3-CG 4.47Å
743	S	85.4	Confident	90.7	Very high	63 Å²	63	61 Å²	61	44%	0.441	37%	0.367	S	S	.	.			trans	-135.9	160.2	179.2	63.6	0	0	0	0	111.6	D740 F741 T745 K746	D740-S743 WeakPolarHBondContact O-CB 3.46Å; D740-S743 PolarHBondContact O-OG 2.96Å; F741-S743 VanDerWaalsContact C-N 3.28Å; F741-S743 PolarHBondContact O-N 2.91Å; F741-S743 VanDerWaalsContact O-N 3.09Å; S743-T745 PolarHBondContact O-N 3.41Å; S743-K746 PolarHBondContact N-O 2.89Å; S743-K746 PolarHBondContact O-N 2.86Å; S743-K746 VanDerWaalsContact O-N 3.07Å
744	G	84.9	Confident	91	Very high	40 Å²	40	59.9 Å²	59.9	41%	0.412	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-118.1	-179.6	0	0	0	0	0	112.8	K746	G744-K746 PolarHBondContact O-N 3.36Å
745	T	87.8	Confident	91.2	Very high	46 Å²	46	60.1 Å²	60.1	28%	0.282	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-6.4	-179.8	57.6	0	0	0	0	114.4	M215 L230 Y638 S743	M215-T745 HydrophobicContact CE-CG2 3.57Å; M215-T745 HydrophobicContact SD-CG2 4.29Å; L230-T745 HydrophobicContact CD2-CG2 3.36Å; Y638-T745 WeakPolarHBondContact CB-O 3.48Å; Y638-T745 HydrophobicContact CD1-CG2 4.31Å; Y638-T745 WeakPolarHBondContact CD1-O 3.21Å; Y638-T745 HydrophobicContact CE1-CG2 3.91Å; Y638-T745 HydrophobicContact CE2-CG2 4.36Å; S743-T745 PolarHBondContact O-N 3.41Å
746	K	91	Very high	91.7	Very high	60 Å²	60	59.1 Å²	59.1	26%	0.261	35%	0.353	S	S	.	.			trans	-103.9	88.2	178.6	-60.8	-173.9	-170.2	70.2	0	110.3	F636 F741 W742 S743 G744	F636-K746 HydrophobicContact CB-CG 4.4Å; F636-K746 HydrophobicContact CD1-CD 4.41Å; F636-K746 HydrophobicContact CD1-CG 4.35Å; F636-K746 HydrophobicContact CG-CG 4.38Å; F741-K746 HydrophobicContact CE1-CD 4.23Å; F741-K746 HydrophobicContact CE2-CD 4.23Å; F741-K746 HydrophobicContact CZ-CD 4.03Å; W742-K746 CarbonylContact C-O 3.57Å; W742-K746 VanDerWaalsContact C-O 3.26Å; W742-K746 WeakPolarHBondContact CA-O 3.35Å; W742-K746 HydrophobicContact CE3-CB 4.12Å; S743-K746 PolarHBondContact N-O 2.89Å; S743-K746 PolarHBondContact O-N 2.86Å; S743-K746 VanDerWaalsContact O-N 3.07Å; G744-K746 PolarHBondContact O-N 3.36Å
747	R	91.5	Very high	92.1	Very high	47 Å²	47	60 Å²	60	18%	0.177	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-70	130.3	172.8	-61.1	180	84.5	122.7	4.6	109.5	E247 W742 P749 Y875 E876	E247-R747 IonicContact OE1-CZ 3.59Å; E247-R747 IonicContact OE1-NH1 3.32Å; E247-R747 PolarHBondContact OE1-NH1 3.46Å; E247-R747 IonicContact OE1-NH2 2.95Å; E247-R747 PolarHBondContact OE1-NH2 2.88Å; E247-R747 IonicContact OE2-CZ 3.47Å; E247-R747 IonicContact OE2-NH1 2.96Å; E247-R747 PolarHBondContact OE2-NH1 3.03Å; E247-R747 IonicContact OE2-NH2 3.63Å; E247-R747 PolarHBondContact OE2-NH2 2.67Å; E247-R747 VanDerWaalsContact OE2-NH2 3.16Å; W742-R747 WeakPolarHBondContact CZ3-O 3.47Å; R747-P749 WeakPolarHBondContact O-CD 3.2Å; R747-Y875 HydrophobicContact CB-CD1 4.37Å; R747-Y875 WeakPolarHBondContact CD-O 3.4Å; R747-Y875 PolarHBondContact NE-O 3.37Å; R747-Y875 WeakPolarHBondContact O-CD1 3.4Å; R747-E876 PolarHBondContact NH2-O 3.17Å
748	C	94.4	Very high	92.7	Very high	39 Å²	39	57.2 Å²	57.2	26%	0.264	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-71.4	120.9	178.7	-169	0	0	0	0	109.9	W742	W742-C748 HydrophobicContact CB-CB 3.77Å; W742-C748 HydrophobicContact CD2-CB 3.95Å; W742-C748 HydrophobicContact CE3-CB 4.28Å; W742-C748 HydrophobicContact CG-CB 3.74Å
749	P	97.2	Very high	93.2	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.013	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-84.2	169.2	-176.5	33.8	-35.1	0	0	0	112.8	I722 L725 L726 W742 R747 N874 Y875	I722-P749 HydrophobicContact CD1-CB 4.45Å; I722-P749 HydrophobicContact CG2-CB 3.78Å; I722-P749 HydrophobicContact CG2-CG 4.06Å; L725-P749 HydrophobicContact CD2-CG 3.95Å; L726-P749 HydrophobicContact CD2-CG 4.15Å; L726-P749 HydrophobicContact CG-CG 4.38Å; W742-P749 VanDerWaalsContact CH2-CD 3.46Å; W742-P749 HydrophobicContact CH2-CG 4.1Å; W742-P749 HydrophobicContact CZ3-CG 4.47Å; R747-P749 WeakPolarHBondContact O-CD 3.2Å; P749-N874 CarbonylContact C-O 3.57Å; P749-N874 WeakPolarHBondContact CA-O 3.37Å; P749-N874 WeakPolarHBondContact CB-O 3.48Å; P749-Y875 HydrophobicContact CB-CD1 3.89Å; P749-Y875 HydrophobicContact CB-CD2 4.32Å; P749-Y875 HydrophobicContact CB-CE1 3.7Å; P749-Y875 HydrophobicContact CB-CE2 4.17Å; P749-Y875 HydrophobicContact CB-CG 4.2Å; P749-Y875 HydrophobicContact CG-CD1 4.48Å; P749-Y875 HydrophobicContact CG-CE1 3.95Å
750	H	97.7	Very high	93.7	Very high	52 Å²	52	58.1 Å²	58.1	24%	0.241	31%	0.31	C	S	.	.			trans	-135.7	138	168.2	54.9	79.5	0	0	0	111.9	L752 E873 N874	H750-L752 PolarHBondContact O-N 3.09Å; H750-E873 PolarHBondContact CE1-O 3.4Å; H750-E873 PolarHBondContact NE2-O 2.99Å; H750-E873 VanDerWaalsContact NE2-O 3.1Å; H750-N874 PolarHBondContact N-O 3.46Å; H750-N874 PolarHBondContact O-ND2 3.06Å
751	P	98	Very high	94.2	Very high	46 Å²	46	53.3 Å²	53.3	30%	0.299	28%	0.284	S	S	.	.			trans	-64.4	133.3	176.2	-18	31.3	0	0	0	110.5	I722 A723 L726	I722-P751 HydrophobicContact CB-CG 4.44Å; I722-P751 HydrophobicContact CG2-CB 4.45Å; I722-P751 HydrophobicContact CG2-CG 4.06Å; A723-P751 HydrophobicContact CB-CG 4.14Å; L726-P751 HydrophobicContact CD1-CG 4.18Å
752	L	98.3	Very high	94.5	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	29%	0.285	C	S	.	.			trans	-81	153.3	174.6	-57.8	-174.2	0	0	0	111.2	W714 F718 S719 H750 L870 E873 N874	W714-L752 HydrophobicContact CH2-CB 3.59Å; W714-L752 HydrophobicContact CZ2-CB 3.92Å; W714-L752 HydrophobicContact CZ2-CD1 4.34Å; F718-L752 HydrophobicContact CB-CB 4.47Å; F718-L752 HydrophobicContact CB-CD1 4.21Å; F718-L752 HydrophobicContact CB-CG 4.46Å; F718-L752 PolarHBondContact O-N 3.15Å; S719-L752 WeakPolarHBondContact CB-O 3.25Å; S719-L752 PolarHBondContact OG-O 3.32Å; H750-L752 PolarHBondContact O-N 3.09Å; L752-L870 HydrophobicContact CD1-CD2 4.02Å; L752-E873 HydrophobicContact CD1-CB 4.3Å; L752-E873 HydrophobicContact CD1-CG 4.4Å; L752-E873 HydrophobicContact CD2-CB 4.49Å; L752-E873 HydrophobicContact CD2-CG 3.92Å; L752-E873 WeakPolarHBondContact CD2-OE1 3.41Å; L752-N874 WeakPolarHBondContact CG-ND2 3.18Å
753	Q	97.7	Very high	94.8	Very high	175 Å²	175	55.8 Å²	55.8	82%	0.818	30%	0.298	S	S	*	.			trans	-105.4	132.7	166.4	-66.2	-172.9	1.5	0	0	108.8	W714 D755 H761	W714-Q753 VanDerWaalsContact CH2-C 3.45Å; Q753-D755 PolarHBondContact O-N 2.84Å; Q753-D755 VanDerWaalsContact O-N 3.14Å; Q753-H761 PolarHBondContact O-CE1 3.45Å; Q753-H761 VanDerWaalsContact O-CE1 3.28Å
754	F	98	Very high	95.4	Very high	42 Å²	42	52.8 Å²	52.8	18%	0.184	28%	0.277	C	S	.	.			trans	-71.3	113.8	-179	-177.2	-97.3	0	0	0	110.2	R711 W714 V756 H761 I765 V791	R711-F754 VanDerWaalsContact NE-CG 3.28Å; W714-F754 HydrophobicContact CD2-CB 4.47Å; W714-F754 AromaticContact CD2-CD2 3.69Å; W714-F754 HydrophobicContact CD2-CD2 3.69Å; W714-F754 AromaticContact CE2-CD2 3.79Å; W714-F754 HydrophobicContact CE3-CB 3.89Å; W714-F754 AromaticContact CE3-CD2 3.93Å; W714-F754 HydrophobicContact CE3-CD2 3.93Å; W714-F754 HydrophobicContact CE3-CG 4.37Å; W714-F754 HydrophobicContact CG-CD2 4.13Å; W714-F754 VanDerWaalsContact CH2-CA 3.45Å; W714-F754 HydrophobicContact CH2-CB 3.81Å; W714-F754 HydrophobicContact CH2-CD2 4.43Å; W714-F754 VanDerWaalsContact CH2-N 3.27Å; W714-F754 HydrophobicContact CZ2-CB 4.33Å; W714-F754 HydrophobicContact CZ2-CD2 4.17Å; W714-F754 HydrophobicContact CZ3-CB 3.57Å; W714-F754 HydrophobicContact CZ3-CD2 4.32Å; W714-F754 HydrophobicContact CZ3-CG 4.46Å; F754-V756 HydrophobicContact CE1-CB 4.07Å; F754-V756 HydrophobicContact CE1-CG2 4.45Å; F754-H761 HydrophobicContact CD2-CB 4.3Å; F754-H761 HydrophobicContact CE2-CB 4.03Å; F754-I765 HydrophobicContact CE2-CD1 4.1Å; F754-I765 HydrophobicContact CE2-CG1 3.73Å; F754-I765 HydrophobicContact CZ-CG1 4.02Å; F754-V791 HydrophobicContact CE1-CG1 4.04Å; F754-V791 HydrophobicContact CE1-CG2 4.07Å; F754-V791 HydrophobicContact CZ-CG1 4.05Å; F754-V791 HydrophobicContact CZ-CG2 3.83Å
755	D	97.2	Very high	96.1	Very high	82 Å²	82	50.9 Å²	50.9	44%	0.439	26%	0.257	S	S	.	.			trans	-100.1	131	163.3	-168.2	-8.7	0	0	0	110.5	Q753 Q757 D758 H761	Q753-D755 PolarHBondContact O-N 2.84Å; Q753-D755 VanDerWaalsContact O-N 3.14Å; D755-Q757 VanDerWaalsContact C-N 3.34Å; D755-Q757 WeakPolarHBondContact OD1-CB 3.22Å; D755-Q757 PolarHBondContact OD1-N 3.45Å; D755-D758 HydrophobicContact CB-CB 4.08Å; D755-H761 PolarHBondContact N-ND1 2.88Å; D755-H761 VanDerWaalsContact O-CB 3.3Å; D755-H761 WeakPolarHBondContact O-CB 3.33Å; D755-H761 PolarHBondContact O-ND1 3.28Å; D755-H761 VanDerWaalsContact O-ND1 3.08Å
756	V	96	Very high	96.5	Very high	21 Å²	21	49.1 Å²	49.1	13%	0.127	25%	0.247	C	C	.	.	S	Bend	trans	-80	-18.1	176	72.3	0	0	0	0	112.6	F754 L762 S788 V791 Q792	F754-V756 HydrophobicContact CE1-CB 4.07Å; F754-V756 HydrophobicContact CE1-CG2 4.45Å; V756-L762 HydrophobicContact CG2-CD1 4.42Å; V756-S788 WeakPolarHBondContact CG2-OG 3.49Å; V756-V791 HydrophobicContact CG2-CG1 3.73Å; V756-Q792 HydrophobicContact CB-CG 4.33Å; V756-Q792 HydrophobicContact CG1-CG 4.2Å; V756-Q792 HydrophobicContact CG2-CG 4.09Å
757	Q	95.9	Very high	96.9	Very high	155 Å²	155	46.3 Å²	46.3	72%	0.724	24%	0.235	S	C	*	.	S	Bend	trans	-85.8	-16.7	176.2	-57.4	-59	-33.4	0	0	112.3	D755 L759	D755-Q757 VanDerWaalsContact C-N 3.34Å; D755-Q757 WeakPolarHBondContact OD1-CB 3.22Å; D755-Q757 PolarHBondContact OD1-N 3.45Å; Q757-L759 PolarHBondContact O-N 3.14Å
758	D	96.5	Very high	97.2	Very high	53 Å²	53	44.1 Å²	44.1	28%	0.283	23%	0.226	S	C	.	.			trans	-72	122.6	171.1	-172.8	-71.5	0	0	0	110	D755 T760 H761 L762	D755-D758 HydrophobicContact CB-CB 4.08Å; D758-T760 WeakPolarHBondContact OD1-CA 3.43Å; D758-T760 VanDerWaalsContact OD1-CB 3.3Å; D758-T760 WeakPolarHBondContact OD1-CB 3.41Å; D758-T760 PolarHBondContact OD1-N 3.35Å; D758-H761 HydrophobicContact CB-CB 3.99Å; D758-H761 PolarHBondContact O-N 2.88Å; D758-H761 IonicContact OD1-CD2 3.83Å; D758-H761 PolarHBondContact OD1-CD2 2.95Å; D758-H761 VanDerWaalsContact OD1-CD2 3.27Å; D758-H761 IonicContact OD1-CG 2.79Å; D758-H761 PolarHBondContact OD1-N 3.05Å; D758-L762 PolarHBondContact O-N 3.3Å; D758-L762 VanDerWaalsContact O-N 3.12Å
759	L	95	Very high	97.4	Very high	100 Å²	100	42.2 Å²	42.2	52%	0.524	21%	0.214	S	C	.	.	H	α-helix	trans	-65.6	-41.7	-175.9	-177.5	62.4	0	0	0	111.7	Q757 H761 L762 E763	Q757-L759 PolarHBondContact O-N 3.14Å; L759-H761 VanDerWaalsContact C-N 3.3Å; L759-H761 PolarHBondContact O-N 2.93Å; L759-L762 PolarHBondContact O-N 3.27Å; L759-E763 HydrophobicContact CD1-CG 4.13Å; L759-E763 HydrophobicContact CG-CG 4.17Å; L759-E763 WeakPolarHBondContact O-CB 3.44Å; L759-E763 VanDerWaalsContact O-CG 3.25Å; L759-E763 WeakPolarHBondContact O-CG 3.43Å; L759-E763 PolarHBondContact O-N 3.28Å
760	T	96.3	Very high	97.5	Very high	39 Å²	39	42.1 Å²	42.1	24%	0.239	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-40.3	-178.9	-45.4	0	0	0	0	110.5	D758 F764 A866 N869 L870	D758-T760 WeakPolarHBondContact OD1-CA 3.43Å; D758-T760 VanDerWaalsContact OD1-CB 3.3Å; D758-T760 WeakPolarHBondContact OD1-CB 3.41Å; D758-T760 PolarHBondContact OD1-N 3.35Å; T760-F764 PolarHBondContact O-N 3.49Å; T760-F764 VanDerWaalsContact O-N 3.08Å; T760-A866 HydrophobicContact CG2-CB 4.45Å; T760-N869 HydrophobicContact CG2-CB 4.02Å; T760-L870 HydrophobicContact CG2-CD2 4.47Å; T760-L870 HydrophobicContact CG2-CG 4.08Å
761	H	98.1	Very high	97.5	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-49.2	174.6	-69.6	-166.3	0	0	0	111.2	W714 Q753 F754 D755 D758 L759 F764 I765 L870	W714-H761 AromaticContact CZ2-CE1 3.72Å; W714-H761 AromaticContact CZ2-ND1 3.84Å; W714-H761 AromaticContact CZ2-NE2 3.9Å; Q753-H761 PolarHBondContact O-CE1 3.45Å; Q753-H761 VanDerWaalsContact O-CE1 3.28Å; F754-H761 HydrophobicContact CD2-CB 4.3Å; F754-H761 HydrophobicContact CE2-CB 4.03Å; D755-H761 PolarHBondContact N-ND1 2.88Å; D755-H761 VanDerWaalsContact O-CB 3.3Å; D755-H761 WeakPolarHBondContact O-CB 3.33Å; D755-H761 PolarHBondContact O-ND1 3.28Å; D755-H761 VanDerWaalsContact O-ND1 3.08Å; D758-H761 HydrophobicContact CB-CB 3.99Å; D758-H761 PolarHBondContact O-N 2.88Å; D758-H761 IonicContact OD1-CD2 3.83Å; D758-H761 PolarHBondContact OD1-CD2 2.95Å; D758-H761 VanDerWaalsContact OD1-CD2 3.27Å; D758-H761 IonicContact OD1-CG 2.79Å; D758-H761 PolarHBondContact OD1-N 3.05Å; L759-H761 VanDerWaalsContact C-N 3.3Å; L759-H761 PolarHBondContact O-N 2.93Å; H761-F764 PolarHBondContact O-N 2.9Å; H761-I765 WeakPolarHBondContact O-CG1 3.42Å; H761-I765 PolarHBondContact O-N 3.33Å; H761-L870 WeakPolarHBondContact CD2-CD2 3.49Å
762	L	97.3	Very high	97.5	Very high	17 Å²	17	37.6 Å²	37.6	9%	0.089	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-35.8	-178.1	-169.2	64.5	0	0	0	112.2	V756 D758 L759 I765 S766 L784 I787	V756-L762 HydrophobicContact CG2-CD1 4.42Å; D758-L762 PolarHBondContact O-N 3.3Å; D758-L762 VanDerWaalsContact O-N 3.12Å; L759-L762 PolarHBondContact O-N 3.27Å; L762-I765 PolarHBondContact O-N 2.86Å; L762-S766 WeakPolarHBondContact O-CB 3.32Å; L762-S766 PolarHBondContact O-N 2.79Å; L762-L784 HydrophobicContact CD2-CB 4.16Å; L762-L784 HydrophobicContact CD2-CD2 4.36Å; L762-L784 HydrophobicContact CG-CD2 4.28Å; L762-I787 HydrophobicContact CD1-CG2 4.24Å
763	E	96.3	Very high	97.5	Very high	80 Å²	80	37.3 Å²	37.3	37%	0.374	19%	0.187	S	C	.	.	H	α-helix	trans	-61.6	-43	174.5	-78.9	177	168	0	0	111.8	L759 I765 S766 A767 A866	L759-E763 HydrophobicContact CD1-CG 4.13Å; L759-E763 HydrophobicContact CG-CG 4.17Å; L759-E763 WeakPolarHBondContact O-CB 3.44Å; L759-E763 VanDerWaalsContact O-CG 3.25Å; L759-E763 WeakPolarHBondContact O-CG 3.43Å; L759-E763 PolarHBondContact O-N 3.28Å; E763-I765 PolarHBondContact O-N 2.8Å; E763-S766 PolarHBondContact O-N 2.83Å; E763-A767 WeakPolarHBondContact O-CB 3.41Å; E763-A767 PolarHBondContact O-N 3.07Å; E763-A866 HydrophobicContact CB-CB 4.22Å
764	F	98.4	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-47.8	173.3	176.4	-88	0	0	0	111.5	L713 W714 L717 F718 T760 H761 S766 A767 A768 F863 A866 A867 L870	L713-F764 HydrophobicContact CD2-CE1 4.49Å; L713-F764 HydrophobicContact CD2-CZ 3.97Å; L713-F764 HydrophobicContact CG-CZ 4.19Å; W714-F764 HydrophobicContact CB-CD1 3.97Å; W714-F764 HydrophobicContact CB-CE1 3.75Å; W714-F764 AromaticContact CD1-CD1 3.57Å; W714-F764 HydrophobicContact CG-CD1 4.19Å; W714-F764 HydrophobicContact CG-CE1 4.36Å; L717-F764 HydrophobicContact CD1-CZ 4.13Å; F718-F764 HydrophobicContact CE2-CD1 4.37Å; F718-F764 HydrophobicContact CE2-CD2 4.04Å; F718-F764 HydrophobicContact CE2-CE1 4.15Å; F718-F764 AromaticContact CE2-CE2 3.79Å; F718-F764 HydrophobicContact CE2-CE2 3.79Å; F718-F764 HydrophobicContact CE2-CG 4.32Å; F718-F764 AromaticContact CE2-CZ 3.85Å; F718-F764 HydrophobicContact CE2-CZ 3.85Å; F718-F764 HydrophobicContact CZ-CD2 4.16Å; F718-F764 AromaticContact CZ-CE2 3.87Å; F718-F764 HydrophobicContact CZ-CE2 3.87Å; F718-F764 HydrophobicContact CZ-CZ 4.31Å; T760-F764 PolarHBondContact O-N 3.49Å; T760-F764 VanDerWaalsContact O-N 3.08Å; H761-F764 PolarHBondContact O-N 2.9Å; F764-S766 VanDerWaalsContact C-N 3.32Å; F764-S766 PolarHBondContact O-N 2.86Å; F764-A767 PolarHBondContact O-N 2.9Å; F764-A768 HydrophobicContact CE1-CB 4.33Å; F764-A768 WeakPolarHBondContact O-CB 3.28Å; F764-A768 PolarHBondContact O-N 3.43Å; F764-F863 HydrophobicContact CD2-CD2 4.45Å; F764-F863 HydrophobicContact CD2-CE2 4.2Å; F764-F863 HydrophobicContact CE2-CD2 4.23Å; F764-F863 AromaticContact CE2-CE2 3.55Å; F764-F863 HydrophobicContact CE2-CE2 3.55Å; F764-F863 HydrophobicContact CE2-CZ 4.04Å; F764-F863 HydrophobicContact CZ-CE2 4.01Å; F764-A866 HydrophobicContact CB-CB 3.93Å; F764-A867 HydrophobicContact CD2-CB 3.92Å; F764-A867 HydrophobicContact CE2-CB 3.85Å; F764-L870 HydrophobicContact CB-CD1 3.55Å; F764-L870 HydrophobicContact CD2-CD1 3.96Å; F764-L870 HydrophobicContact CG-CD1 3.77Å
765	I	98.5	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-43.8	178.8	-60.2	-63.4	0	0	0	110.5	V707 A710 R711 W714 F754 H761 L762 E763 S769 I787 V791	V707-I765 HydrophobicContact CG1-CG2 4.09Å; A710-I765 HydrophobicContact CB-CD1 4.23Å; A710-I765 HydrophobicContact CB-CG2 4.28Å; R711-I765 VanDerWaalsContact CA-CD1 3.48Å; R711-I765 HydrophobicContact CB-CD1 4.09Å; W714-I765 HydrophobicContact CB-CD1 3.97Å; W714-I765 HydrophobicContact CG-CD1 4.46Å; F754-I765 HydrophobicContact CE2-CD1 4.1Å; F754-I765 HydrophobicContact CE2-CG1 3.73Å; F754-I765 HydrophobicContact CZ-CG1 4.02Å; H761-I765 WeakPolarHBondContact O-CG1 3.42Å; H761-I765 PolarHBondContact O-N 3.33Å; L762-I765 PolarHBondContact O-N 2.86Å; E763-I765 PolarHBondContact O-N 2.8Å; I765-S769 WeakPolarHBondContact O-CB 3.33Å; I765-S769 PolarHBondContact O-N 2.89Å; I765-S769 PolarHBondContact O-OG 3.41Å; I765-I787 HydrophobicContact CG2-CG2 3.79Å; I765-V791 HydrophobicContact CD1-CG2 4.48Å; I765-V791 HydrophobicContact CG1-CG2 4.36Å; I765-V791 HydrophobicContact CG2-CG2 4.11Å
766	S	98.1	Very high	97.4	Very high	10 Å²	10	27.2 Å²	27.2	7%	0.07	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-52.1	178.9	-175.7	0	0	0	0	111.7	L762 E763 F764 S769 N770	L762-S766 WeakPolarHBondContact O-CB 3.32Å; L762-S766 PolarHBondContact O-N 2.79Å; E763-S766 PolarHBondContact O-N 2.83Å; F764-S766 VanDerWaalsContact C-N 3.32Å; F764-S766 PolarHBondContact O-N 2.86Å; S766-S769 PolarHBondContact O-OG 2.91Å; S766-N770 WeakPolarHBondContact O-CB 3.49Å; S766-N770 PolarHBondContact O-N 3.14Å; S766-N770 VanDerWaalsContact O-N 3.08Å; S766-N770 PolarHBondContact O-ND2 2.9Å
767	A	98.3	Very high	97.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-48.9	-179	0	0	0	0	0	111.5	E763 F764 S769 N770 L771 F859 D862 F863	E763-A767 WeakPolarHBondContact O-CB 3.41Å; E763-A767 PolarHBondContact O-N 3.07Å; F764-A767 PolarHBondContact O-N 2.9Å; A767-S769 PolarHBondContact O-N 2.9Å; A767-N770 PolarHBondContact O-N 2.68Å; A767-L771 WeakPolarHBondContact O-CB 3.32Å; A767-L771 VanDerWaalsContact O-CG 3.26Å; A767-L771 WeakPolarHBondContact O-CG 3.47Å; A767-L771 PolarHBondContact O-N 3.4Å; A767-F859 HydrophobicContact CB-CB 4.12Å; A767-D862 HydrophobicContact CB-CB 4.21Å; A767-F863 HydrophobicContact CB-CB 3.8Å
768	A	98.7	Very high	97.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-42.7	-179	0	0	0	0	0	112.5	W709 A710 F764 R772 F863	W709-A768 HydrophobicContact CZ3-CB 4.07Å; W709-A768 WeakPolarHBondContact CZ3-O 3.38Å; A710-A768 HydrophobicContact CB-CB 3.85Å; F764-A768 HydrophobicContact CE1-CB 4.33Å; F764-A768 WeakPolarHBondContact O-CB 3.28Å; F764-A768 PolarHBondContact O-N 3.43Å; A768-R772 VanDerWaalsContact O-CB 3.29Å; A768-R772 WeakPolarHBondContact O-CB 3.27Å; A768-R772 PolarHBondContact O-N 3.47Å; A768-F863 HydrophobicContact CB-CD2 3.96Å; A768-F863 HydrophobicContact CB-CE2 3.91Å
769	S	98.6	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-69	-38	178.8	60.4	0	0	0	0	112.6	F703 C706 I765 S766 A767 R772 A773	F703-S769 WeakPolarHBondContact CZ-OG 3.41Å; C706-S769 WeakPolarHBondContact CB-O 3.25Å; I765-S769 WeakPolarHBondContact O-CB 3.33Å; I765-S769 PolarHBondContact O-N 2.89Å; I765-S769 PolarHBondContact O-OG 3.41Å; S766-S769 PolarHBondContact O-OG 2.91Å; A767-S769 PolarHBondContact O-N 2.9Å; S769-R772 PolarHBondContact O-N 3.34Å; S769-A773 WeakPolarHBondContact O-CB 3.44Å; S769-A773 PolarHBondContact O-N 2.94Å
770	N	98.6	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.2	-40.4	176.4	-79.8	-64.2	0	0	0	112.8	F703 S766 A767 A773 E774 Q780 C781 F859	F703-N770 WeakPolarHBondContact CE2-OD1 3.16Å; S766-N770 WeakPolarHBondContact O-CB 3.49Å; S766-N770 PolarHBondContact O-N 3.14Å; S766-N770 VanDerWaalsContact O-N 3.08Å; S766-N770 PolarHBondContact O-ND2 2.9Å; A767-N770 PolarHBondContact O-N 2.68Å; N770-A773 PolarHBondContact O-N 3.41Å; N770-E774 WeakPolarHBondContact O-CB 3.32Å; N770-E774 PolarHBondContact O-N 2.96Å; N770-Q780 HydrophobicContact CB-CG 4.2Å; N770-Q780 PolarHBondContact O-NE2 2.8Å; N770-Q780 WeakPolarHBondContact OD1-CA 3.46Å; N770-Q780 WeakPolarHBondContact OD1-CB 3.26Å; N770-C781 PolarHBondContact ND2-O 3.44Å; N770-C781 PolarHBondContact OD1-N 2.63Å; N770-C781 PolarHBondContact OD1-O 3.08Å; N770-F859 HydrophobicContact CB-CD2 3.7Å; N770-F859 HydrophobicContact CB-CE2 3.71Å; N770-F859 HydrophobicContact CB-CG 4.18Å; N770-F859 HydrophobicContact CB-CZ 4.21Å
771	L	98.5	Very high	97.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-43.4	173.8	-69.5	167.6	0	0	0	111.4	F651 F655 A767 A773 E774 C775 N858 F859 F863	F651-L771 HydrophobicContact CD2-CD1 4.16Å; F651-L771 HydrophobicContact CE2-CD1 3.75Å; F651-L771 HydrophobicContact CE2-CD2 4.2Å; F655-L771 HydrophobicContact CD1-CB 3.69Å; F655-L771 HydrophobicContact CD2-CB 4.45Å; F655-L771 HydrophobicContact CD2-CD1 3.93Å; F655-L771 HydrophobicContact CE1-CB 3.52Å; F655-L771 HydrophobicContact CE1-CD1 4.39Å; F655-L771 HydrophobicContact CE2-CB 4.3Å; F655-L771 HydrophobicContact CE2-CD1 3.65Å; F655-L771 HydrophobicContact CG-CB 4.16Å; F655-L771 HydrophobicContact CG-CD1 4.41Å; F655-L771 HydrophobicContact CZ-CB 3.85Å; F655-L771 HydrophobicContact CZ-CD1 3.9Å; A767-L771 WeakPolarHBondContact O-CB 3.32Å; A767-L771 VanDerWaalsContact O-CG 3.26Å; A767-L771 WeakPolarHBondContact O-CG 3.47Å; A767-L771 PolarHBondContact O-N 3.4Å; L771-A773 VanDerWaalsContact C-N 3.33Å; L771-A773 PolarHBondContact O-N 2.87Å; L771-E774 WeakPolarHBondContact O-CB 3.45Å; L771-E774 PolarHBondContact O-N 3.35Å; L771-C775 PolarHBondContact O-N 3.45Å; L771-C775 PolarHBondContact O-SG 2.95Å; L771-C775 VanDerWaalsContact O-SG 3.33Å; L771-N858 WeakPolarHBondContact CD2-O 3.47Å; L771-F859 HydrophobicContact CD2-CB 4.35Å; L771-F859 HydrophobicContact CG-CB 4.2Å; L771-F863 HydrophobicContact CD1-CB 3.71Å; L771-F863 HydrophobicContact CD1-CD2 4.28Å; L771-F863 HydrophobicContact CD1-CG 4.02Å
772	R	98	Very high	97.1	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.011	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-42.6	174.6	-169.9	70.1	175.8	-171.6	-1.5	111.2	N694 C706 W709 A768 S769 E774 C775 Y776	N694-R772 VanDerWaalsContact OD1-CZ 3.3Å; N694-R772 PolarHBondContact OD1-NH1 2.87Å; N694-R772 PolarHBondContact OD1-NH2 3.46Å; C706-R772 HydrophobicContact CB-CB 4.3Å; C706-R772 HydrophobicContact CB-CG 4.39Å; W709-R772 HydrophobicContact CD2-CG 4.13Å; W709-R772 HydrophobicContact CE3-CB 3.83Å; W709-R772 HydrophobicContact CE3-CG 3.81Å; W709-R772 HydrophobicContact CZ3-CB 3.78Å; W709-R772 HydrophobicContact CZ3-CG 4.11Å; A768-R772 VanDerWaalsContact O-CB 3.29Å; A768-R772 WeakPolarHBondContact O-CB 3.27Å; A768-R772 PolarHBondContact O-N 3.47Å; S769-R772 PolarHBondContact O-N 3.34Å; R772-E774 VanDerWaalsContact C-N 3.32Å; R772-E774 PolarHBondContact O-N 3.14Å; R772-C775 PolarHBondContact O-N 2.91Å; R772-Y776 PolarHBondContact NH2-OH 2.8Å; R772-Y776 VanDerWaalsContact O-CD2 3.3Å; R772-Y776 WeakPolarHBondContact O-CD2 3.37Å
773	A	98	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-43	177.1	0	0	0	0	0	111.4	F703 S769 N770 L771 C775 Y776 G777 I778 Q780	F703-A773 HydrophobicContact CD2-CB 3.77Å; F703-A773 HydrophobicContact CE2-CB 3.96Å; S769-A773 WeakPolarHBondContact O-CB 3.44Å; S769-A773 PolarHBondContact O-N 2.94Å; N770-A773 PolarHBondContact O-N 3.41Å; L771-A773 VanDerWaalsContact C-N 3.33Å; L771-A773 PolarHBondContact O-N 2.87Å; A773-C775 PolarHBondContact O-N 3.37Å; A773-Y776 CarbonylContact O-C 3.57Å; A773-Y776 PolarHBondContact O-N 3.04Å; A773-G777 PolarHBondContact O-N 3.24Å; A773-G777 VanDerWaalsContact O-N 3.1Å; A773-I778 HydrophobicContact CB-CB 4.02Å; A773-I778 HydrophobicContact CB-CG2 4.21Å; A773-I778 PolarHBondContact O-N 2.84Å; A773-Q780 HydrophobicContact CB-CG 4.32Å
774	E	97.3	Very high	96.8	Very high	64 Å²	64	32.3 Å²	32.3	30%	0.299	18%	0.177	S	C	.	.	H	α-helix	trans	-59.1	-48	177.3	-167.7	171	164.2	0	0	112.5	N770 L771 R772 Y776 G777 Q780 N847 I849	N770-E774 WeakPolarHBondContact O-CB 3.32Å; N770-E774 PolarHBondContact O-N 2.96Å; L771-E774 WeakPolarHBondContact O-CB 3.45Å; L771-E774 PolarHBondContact O-N 3.35Å; R772-E774 VanDerWaalsContact C-N 3.32Å; R772-E774 PolarHBondContact O-N 3.14Å; E774-Y776 PolarHBondContact O-N 3.13Å; E774-Y776 VanDerWaalsContact O-N 3.1Å; E774-G777 PolarHBondContact O-N 3.38Å; E774-Q780 PolarHBondContact OE2-NE2 3.08Å; E774-N847 WeakPolarHBondContact O-CB 3.4Å; E774-N847 PolarHBondContact O-ND2 2.69Å; E774-I849 HydrophobicContact CB-CD1 4.09Å; E774-I849 HydrophobicContact CG-CD1 3.71Å
775	C	96.9	Very high	96.6	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.027	21%	0.206	C	C	.	.	H	α-helix	trans	-51.7	-36.5	177.4	-69	0	0	0	0	113.2	L771 R772 A773 I846 N847 I849	L771-C775 PolarHBondContact O-N 3.45Å; L771-C775 PolarHBondContact O-SG 2.95Å; L771-C775 VanDerWaalsContact O-SG 3.33Å; R772-C775 PolarHBondContact O-N 2.91Å; A773-C775 PolarHBondContact O-N 3.37Å; C775-I846 WeakPolarHBondContact O-CA 3.31Å; C775-N847 PolarHBondContact O-N 2.68Å; C775-I849 WeakPolarHBondContact SG-CG1 3.45Å
776	Y	96	Very high	96.4	Very high	18 Å²	18	41.2 Å²	41.2	7%	0.071	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	6.5	-176.7	-68.9	-94.5	0	0	0	113.5	M662 N694 R699 P700 R772 A773 E774 I778 I846	M662-Y776 HydrophobicContact CE-CE2 4.37Å; M662-Y776 HydrophobicContact SD-CE1 4.38Å; M662-Y776 PolarHBondContact SD-OH 3.09Å; N694-Y776 WeakPolarHBondContact CB-OH 3.46Å; N694-Y776 PolarHBondContact O-OH 3.44Å; N694-Y776 VanDerWaalsContact O-OH 3.05Å; R699-Y776 HydrophobicContact CG-CD1 4.02Å; R699-Y776 HydrophobicContact CG-CE1 3.76Å; P700-Y776 HydrophobicContact CG-CD1 4.13Å; P700-Y776 HydrophobicContact CG-CD2 3.63Å; P700-Y776 HydrophobicContact CG-CE1 4.45Å; P700-Y776 HydrophobicContact CG-CE2 4.01Å; P700-Y776 HydrophobicContact CG-CG 3.69Å; R772-Y776 PolarHBondContact NH2-OH 2.8Å; R772-Y776 VanDerWaalsContact O-CD2 3.3Å; R772-Y776 WeakPolarHBondContact O-CD2 3.37Å; A773-Y776 CarbonylContact O-C 3.57Å; A773-Y776 PolarHBondContact O-N 3.04Å; E774-Y776 PolarHBondContact O-N 3.13Å; E774-Y776 VanDerWaalsContact O-N 3.1Å; Y776-I778 VanDerWaalsContact C-N 3.26Å; Y776-I778 PolarHBondContact O-N 2.75Å; Y776-I846 HydrophobicContact CD1-CD1 3.77Å; Y776-I846 HydrophobicContact CE1-CD1 3.88Å; Y776-I846 HydrophobicContact CG-CD1 4.37Å
777	G	94.5	Very high	96.4	Very high	55 Å²	55	40.7 Å²	40.7	57%	0.567	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	25.8	-177.8	0	0	0	0	0	114.2	A773 E774	A773-G777 PolarHBondContact O-N 3.24Å; A773-G777 VanDerWaalsContact O-N 3.1Å; E774-G777 PolarHBondContact O-N 3.38Å
778	I	96.1	Very high	96.2	Very high	25 Å²	25	41.6 Å²	41.6	13%	0.128	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-85.9	138.5	176.1	-64.4	174	0	0	0	108.9	P700 F703 A773 Y776 Q780	P700-I778 HydrophobicContact CB-CD1 3.75Å; P700-I778 HydrophobicContact CG-CD1 3.82Å; F703-I778 HydrophobicContact CB-CG2 4.31Å; A773-I778 HydrophobicContact CB-CB 4.02Å; A773-I778 HydrophobicContact CB-CG2 4.21Å; A773-I778 PolarHBondContact O-N 2.84Å; Y776-I778 VanDerWaalsContact C-N 3.26Å; Y776-I778 PolarHBondContact O-N 2.75Å; I778-Q780 PolarHBondContact O-N 2.95Å
779	P	96.5	Very high	96.1	Very high	110 Å²	110	48.4 Å²	48.4	71%	0.714	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-55.3	126	175.5	-26.8	35.3	0	0	0	112.8	F703	F703-P779 WeakPolarHBondContact CD2-O 3.21Å
780	Q	96	Very high	96	Very high	72 Å²	72	49.4 Å²	49.4	34%	0.336	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-71.1	155.5	175.8	-76.4	178.8	-27.8	0	0	112.1	N770 A773 E774 I778	N770-Q780 HydrophobicContact CB-CG 4.2Å; N770-Q780 PolarHBondContact O-NE2 2.8Å; N770-Q780 WeakPolarHBondContact OD1-CA 3.46Å; N770-Q780 WeakPolarHBondContact OD1-CB 3.26Å; A773-Q780 HydrophobicContact CB-CG 4.32Å; E774-Q780 PolarHBondContact OE2-NE2 3.08Å; I778-Q780 PolarHBondContact O-N 2.95Å
781	C	95.8	Very high	95.9	Very high	20 Å²	20	49.6 Å²	49.6	14%	0.135	27%	0.268	C	S	.	.			trans	-130.2	121.1	174.7	177.4	0	0	0	0	110.2	F703 N770	F703-C781 HydrophobicContact CD1-CB 3.82Å; F703-C781 HydrophobicContact CD2-CB 4.4Å; F703-C781 HydrophobicContact CE1-CB 3.52Å; F703-C781 HydrophobicContact CE2-CB 4.14Å; F703-C781 HydrophobicContact CG-CB 4.26Å; F703-C781 HydrophobicContact CZ-CB 3.7Å; N770-C781 PolarHBondContact ND2-O 3.44Å; N770-C781 PolarHBondContact OD1-N 2.63Å; N770-C781 PolarHBondContact OD1-O 3.08Å
782	R	93.2	Very high	95.8	Very high	142 Å²	142	55.5 Å²	55.5	54%	0.536	30%	0.295	S	S	.	.			trans	-96.2	-4.1	178.9	-52.7	-159	173.1	-127.7	-3.9	114.2	L784 A857 F859	R782-L784 PolarHBondContact O-N 3.27Å; R782-A857 PolarHBondContact NH1-O 3.36Å; R782-A857 VanDerWaalsContact NH1-O 3.07Å; R782-A857 PolarHBondContact NH2-O 3.07Å; R782-F859 HydrophobicContact CG-CZ 4.01Å
783	N	94.5	Very high	95.6	Very high	91 Å²	91	59.6 Å²	59.6	49%	0.487	32%	0.324	S	S	.	.			trans	-81.8	103.6	-177.9	-175.9	-33.5	0	0	0	110.2	S785 K786 I787	N783-S785 VanDerWaalsContact C-N 3.28Å; N783-S785 PolarHBondContact O-N 3.22Å; N783-S785 WeakPolarHBondContact OD1-CA 3.16Å; N783-S785 WeakPolarHBondContact OD1-CB 3.28Å; N783-S785 PolarHBondContact OD1-N 3.46Å; N783-K786 HydrophobicContact CB-CB 4.17Å; N783-K786 PolarHBondContact O-N 3.47Å; N783-K786 PolarHBondContact OD1-N 2.87Å; N783-K786 VanDerWaalsContact OD1-N 3.13Å; N783-I787 WeakPolarHBondContact O-CG1 3.43Å; N783-I787 PolarHBondContact O-N 3.32Å; N783-I787 VanDerWaalsContact O-N 3.14Å
784	L	93.2	Very high	95.5	Very high	64 Å²	64	60.5 Å²	60.5	34%	0.335	33%	0.33	S	S	.	.	H	α-helix	trans	-59	-35.3	-179.9	-70.4	175.7	0	0	0	113.2	L762 R782 K786 I787 S788	L762-L784 HydrophobicContact CD2-CB 4.16Å; L762-L784 HydrophobicContact CD2-CD2 4.36Å; L762-L784 HydrophobicContact CG-CD2 4.28Å; R782-L784 PolarHBondContact O-N 3.27Å; L784-K786 PolarHBondContact O-N 2.76Å; L784-I787 PolarHBondContact O-N 2.96Å; L784-S788 VanDerWaalsContact O-CB 3.32Å; L784-S788 WeakPolarHBondContact O-CB 3.33Å; L784-S788 PolarHBondContact O-N 3.43Å
785	S	93.7	Very high	95.5	Very high	87 Å²	87	64.8 Å²	64.8	61%	0.608	35%	0.353	S	S	*	.	H	α-helix	trans	-64.4	-41.5	177.5	-51.6	0	0	0	0	111.6	N783 S788 E789	N783-S785 VanDerWaalsContact C-N 3.28Å; N783-S785 PolarHBondContact O-N 3.22Å; N783-S785 WeakPolarHBondContact OD1-CA 3.16Å; N783-S785 WeakPolarHBondContact OD1-CB 3.28Å; N783-S785 PolarHBondContact OD1-N 3.46Å; S785-S788 WeakPolarHBondContact O-CB 3.03Å; S785-S788 PolarHBondContact O-N 2.94Å; S785-E789 PolarHBondContact O-N 3.25Å
786	K	94.6	Very high	95.5	Very high	99 Å²	99	66.7 Å²	66.7	43%	0.43	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-40.5	175.6	-172.1	177.8	178.3	-172.1	0	111.7	N783 L784 S788 E789 I790	N783-K786 HydrophobicContact CB-CB 4.17Å; N783-K786 PolarHBondContact O-N 3.47Å; N783-K786 PolarHBondContact OD1-N 2.87Å; N783-K786 VanDerWaalsContact OD1-N 3.13Å; L784-K786 PolarHBondContact O-N 2.76Å; K786-S788 VanDerWaalsContact C-N 3.32Å; K786-E789 PolarHBondContact O-N 2.78Å; K786-I790 HydrophobicContact CG-CD1 4.18Å; K786-I790 VanDerWaalsContact O-CG1 3.32Å; K786-I790 WeakPolarHBondContact O-CG1 3.27Å; K786-I790 PolarHBondContact O-N 2.74Å; K786-I790 VanDerWaalsContact O-N 3.14Å
787	I	96.7	Very high	95.4	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-63.7	-41.8	176.3	-62.6	172.3	0	0	0	110.4	F703 V707 L762 I765 N783 L784 E789 I790 V791	F703-I787 HydrophobicContact CE1-CD1 4.47Å; F703-I787 HydrophobicContact CE1-CG1 4.11Å; F703-I787 HydrophobicContact CZ-CD1 4.49Å; V707-I787 HydrophobicContact CG2-CG2 4.4Å; L762-I787 HydrophobicContact CD1-CG2 4.24Å; I765-I787 HydrophobicContact CG2-CG2 3.79Å; N783-I787 WeakPolarHBondContact O-CG1 3.43Å; N783-I787 PolarHBondContact O-N 3.32Å; N783-I787 VanDerWaalsContact O-N 3.14Å; L784-I787 PolarHBondContact O-N 2.96Å; I787-E789 VanDerWaalsContact C-N 3.34Å; I787-E789 PolarHBondContact O-N 2.92Å; I787-I790 PolarHBondContact O-N 2.93Å; I787-V791 WeakPolarHBondContact O-CB 3.22Å; I787-V791 PolarHBondContact O-N 3.32Å
788	S	95.7	Very high	95.4	Very high	19 Å²	19	73.1 Å²	73.1	13%	0.133	40%	0.399	C	S	.	.	H	α-helix	trans	-59.6	-39.7	175.9	176.6	0	0	0	0	112.6	V756 L784 S785 K786 V791 Q792	V756-S788 WeakPolarHBondContact CG2-OG 3.49Å; L784-S788 VanDerWaalsContact O-CB 3.32Å; L784-S788 WeakPolarHBondContact O-CB 3.33Å; L784-S788 PolarHBondContact O-N 3.43Å; S785-S788 WeakPolarHBondContact O-CB 3.03Å; S785-S788 PolarHBondContact O-N 2.94Å; K786-S788 VanDerWaalsContact C-N 3.32Å; S788-V791 WeakPolarHBondContact O-CG1 3.18Å; S788-Q792 VanDerWaalsContact O-CG 3.29Å; S788-Q792 WeakPolarHBondContact O-CG 3.41Å; S788-Q792 PolarHBondContact O-N 3.43Å; S788-Q792 PolarHBondContact O-NE2 3.35Å; S788-Q792 PolarHBondContact OG-NE2 3.4Å
789	E	95.8	Very high	95.4	Very high	144 Å²	144	75.1 Å²	75.1	67%	0.673	41%	0.407	S	S	*	.	H	α-helix	trans	-66.1	-46.9	174.5	-75.5	179.6	164.5	0	0	112	S785 K786 I787 V791 Q792	S785-E789 PolarHBondContact O-N 3.25Å; K786-E789 PolarHBondContact O-N 2.78Å; I787-E789 VanDerWaalsContact C-N 3.34Å; I787-E789 PolarHBondContact O-N 2.92Å; E789-V791 PolarHBondContact O-N 3.12Å; E789-Q792 PolarHBondContact O-N 2.92Å
790	I	96.3	Very high	95.3	Very high	21 Å²	21	75.2 Å²	75.2	11%	0.108	41%	0.405	C	S	.	.	H	α-helix	trans	-62.8	-45.5	-179.1	-61.3	161.9	0	0	0	110.1	E704 V707 K786 I787 Q792 S793	E704-I790 HydrophobicContact CB-CG2 4.1Å; E704-I790 HydrophobicContact CG-CD1 4.01Å; E704-I790 HydrophobicContact CG-CG1 4.24Å; E704-I790 HydrophobicContact CG-CG2 4.1Å; V707-I790 HydrophobicContact CB-CB 4.49Å; V707-I790 HydrophobicContact CB-CG2 3.79Å; V707-I790 HydrophobicContact CG1-CB 4.06Å; V707-I790 HydrophobicContact CG1-CG2 3.65Å; V707-I790 HydrophobicContact CG2-CD1 4.49Å; V707-I790 HydrophobicContact CG2-CG2 4.28Å; K786-I790 HydrophobicContact CG-CD1 4.18Å; K786-I790 VanDerWaalsContact O-CG1 3.32Å; K786-I790 WeakPolarHBondContact O-CG1 3.27Å; K786-I790 PolarHBondContact O-N 2.74Å; K786-I790 VanDerWaalsContact O-N 3.14Å; I787-I790 PolarHBondContact O-N 2.93Å; I790-Q792 VanDerWaalsContact C-N 3.3Å; I790-Q792 PolarHBondContact O-N 3.02Å; I790-S793 PolarHBondContact O-N 3.49Å; I790-S793 VanDerWaalsContact O-N 3.08Å; I790-S793 PolarHBondContact O-OG 3.4Å
791	V	96.5	Very high	95.1	Very high	4 Å²	4	73.8 Å²	73.8	2%	0.024	40%	0.402	C	S	.	.	H	α-helix	trans	-65.4	-32.3	-174.4	80.9	0	0	0	0	112.8	V707 R711 F754 V756 I765 I787 S788 E789 S793 V794	V707-V791 HydrophobicContact CG1-CB 3.96Å; V707-V791 HydrophobicContact CG1-CG2 4.27Å; R711-V791 HydrophobicContact CB-CG2 3.76Å; R711-V791 HydrophobicContact CG-CG2 3.76Å; F754-V791 HydrophobicContact CE1-CG1 4.04Å; F754-V791 HydrophobicContact CE1-CG2 4.07Å; F754-V791 HydrophobicContact CZ-CG1 4.05Å; F754-V791 HydrophobicContact CZ-CG2 3.83Å; V756-V791 HydrophobicContact CG2-CG1 3.73Å; I765-V791 HydrophobicContact CD1-CG2 4.48Å; I765-V791 HydrophobicContact CG1-CG2 4.36Å; I765-V791 HydrophobicContact CG2-CG2 4.11Å; I787-V791 WeakPolarHBondContact O-CB 3.22Å; I787-V791 PolarHBondContact O-N 3.32Å; S788-V791 WeakPolarHBondContact O-CG1 3.18Å; E789-V791 PolarHBondContact O-N 3.12Å; V791-S793 PolarHBondContact O-N 2.64Å; V791-V794 WeakPolarHBondContact O-CB 3.32Å; V791-V794 PolarHBondContact O-N 3.17Å
792	Q	95.6	Very high	94.9	Very high	123 Å²	123	81.3 Å²	81.3	58%	0.575	43%	0.427	S	S	*	.	H	α-helix	trans	-66.8	-23.9	176.2	-75.2	174.4	73	0	0	113	V756 S788 E789 I790 V794	V756-Q792 HydrophobicContact CB-CG 4.33Å; V756-Q792 HydrophobicContact CG1-CG 4.2Å; V756-Q792 HydrophobicContact CG2-CG 4.09Å; S788-Q792 VanDerWaalsContact O-CG 3.29Å; S788-Q792 WeakPolarHBondContact O-CG 3.41Å; S788-Q792 PolarHBondContact O-N 3.43Å; S788-Q792 PolarHBondContact O-NE2 3.35Å; S788-Q792 PolarHBondContact OG-NE2 3.4Å; E789-Q792 PolarHBondContact O-N 2.92Å; I790-Q792 VanDerWaalsContact C-N 3.3Å; I790-Q792 PolarHBondContact O-N 3.02Å; Q792-V794 VanDerWaalsContact C-N 3.34Å
793	S	95	Very high	94.5	Very high	89 Å²	89	79.4 Å²	79.4	62%	0.622	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.2	177.2	74.1	0	0	0	0	114.1	I790 V791 I795	I790-S793 PolarHBondContact O-N 3.49Å; I790-S793 VanDerWaalsContact O-N 3.08Å; I790-S793 PolarHBondContact O-OG 3.4Å; V791-S793 PolarHBondContact O-N 2.64Å; S793-I795 PolarHBondContact O-N 2.93Å
794	V	96.6	Very high	93.8	Very high	19 Å²	19	79 Å²	79	12%	0.115	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-74.3	122.5	-176.3	176.4	0	0	0	0	110.8	T708 R711 V791 Q792 V796	T708-V794 HydrophobicContact CG2-CG1 4.04Å; R711-V794 HydrophobicContact CB-CB 4.4Å; R711-V794 HydrophobicContact CB-CG1 4.08Å; R711-V794 HydrophobicContact CB-CG2 4.38Å; R711-V794 HydrophobicContact CG-CB 4.08Å; R711-V794 HydrophobicContact CG-CG1 3.88Å; V791-V794 WeakPolarHBondContact O-CB 3.32Å; V791-V794 PolarHBondContact O-N 3.17Å; Q792-V794 VanDerWaalsContact C-N 3.34Å; V794-V796 HydrophobicContact CG1-CG2 4.48Å; V794-V796 PolarHBondContact O-N 2.9Å
795	I	95.9	Very high	93.3	Very high	155 Å²	155	78.5 Å²	78.5	80%	0.795	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-79.8	116.7	173.8	-58.5	174.3	0	0	0	109.2	S793	S793-I795 PolarHBondContact O-N 2.93Å
796	V	96.6	Very high	92.7	Very high	43 Å²	43	82.4 Å²	82.4	26%	0.261	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-96.2	120.5	178.3	-178.7	0	0	0	0	109.8	R711 L712 Q715 V794	R711-V796 HydrophobicContact CG-CG2 4.29Å; L712-V796 HydrophobicContact CD2-CG2 4.47Å; Q715-V796 HydrophobicContact CB-CG1 4.07Å; Q715-V796 HydrophobicContact CG-CG1 3.48Å; Q715-V796 VanDerWaalsContact CG-CG1 3.48Å; V794-V796 HydrophobicContact CG1-CG2 4.48Å; V794-V796 PolarHBondContact O-N 2.9Å
797	P	94.8	Very high	92.1	Very high	83 Å²	83	78.9 Å²	78.9	54%	0.539	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-63.3	142.8	176.7	-20.9	32.2	0	0	0	111.8
798	P	94.5	Very high	91.5	Very high	126 Å²	126	79.3 Å²	79.3	82%	0.818	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-65	139.9	173.5	28	-33.9	0	0	0	110.6
799	F	95.5	Very high	90.9	Very high	67 Å²	67	80 Å²	80	29%	0.294	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-100	134.5	176.9	179.5	-106.5	0	0	0	111.3	N720 A723 Q724 P801	N720-F799 HydrophobicContact CB-CB 4.22Å; N720-F799 HydrophobicContact CB-CD1 3.87Å; N720-F799 HydrophobicContact CB-CD2 3.65Å; N720-F799 HydrophobicContact CB-CE1 4.13Å; N720-F799 HydrophobicContact CB-CE2 3.93Å; N720-F799 HydrophobicContact CB-CG 3.62Å; N720-F799 HydrophobicContact CB-CZ 4.17Å; N720-F799 WeakPolarHBondContact O-CE1 3.33Å; N720-F799 WeakPolarHBondContact O-CZ 3.48Å; N720-F799 VanDerWaalsContact OD1-CB 3.23Å; N720-F799 WeakPolarHBondContact OD1-CB 3.37Å; A723-F799 HydrophobicContact CB-CD1 4.11Å; A723-F799 HydrophobicContact CB-CE1 4.02Å; Q724-F799 HydrophobicContact CB-CE1 4.29Å; Q724-F799 HydrophobicContact CB-CZ 4.02Å; F799-P801 HydrophobicContact CD1-CG 4.38Å; F799-P801 HydrophobicContact CE1-CB 4.29Å; F799-P801 HydrophobicContact CE1-CG 3.88Å
800	V	94.2	Very high	90.2	Very high	112 Å²	112	76.2 Å²	76.2	68%	0.679	43%	0.432	S	S	*	.			trans	-123.7	116.2	173.4	-176.9	0	0	0	0	108
801	P	92.1	Very high	89.3	Confident	41 Å²	41	79.4 Å²	79.4	27%	0.266	45%	0.446	S	S	.	.			trans	-56.6	142.6	175.2	-22	31	0	0	0	111.6	F727 F799	F727-P801 HydrophobicContact CB-CB 3.59Å; F727-P801 HydrophobicContact CB-CG 4.13Å; F727-P801 HydrophobicContact CD1-CB 3.96Å; F727-P801 HydrophobicContact CD2-CB 3.78Å; F727-P801 HydrophobicContact CD2-CG 4.32Å; F727-P801 HydrophobicContact CE2-CB 4.45Å; F727-P801 HydrophobicContact CG-CB 3.49Å; F727-P801 VanDerWaalsContact CG-CB 3.49Å; F727-P801 HydrophobicContact CG-CG 4.31Å; F799-P801 HydrophobicContact CD1-CG 4.38Å; F799-P801 HydrophobicContact CE1-CB 4.29Å; F799-P801 HydrophobicContact CE1-CG 3.88Å
802	R	92.1	Very high	88.6	Confident	178 Å²	178	82.5 Å²	82.5	67%	0.672	47%	0.472	S	S	*	.			trans	-108.1	137.7	-177.6	-69	-178.5	-80	-176.3	-5.2	111.3	Q724 V805	Q724-R802 PolarHBondContact NE2-O 3.37Å; R802-V805 HydrophobicContact CB-CG2 4.05Å
803	S	84.8	Confident	87.9	Confident	103 Å²	103	79.9 Å²	79.9	72%	0.72	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	145.7	168.5	-56.5	0	0	0	0	111.3
804	G	80.4	Confident	86.9	Confident	82 Å²	82	76.5 Å²	76.5	85%	0.845	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	1.1	178	0	0	0	0	0	115.3	R806	G804-R806 PolarHBondContact O-N 3.36Å
805	V	81.8	Confident	85.9	Confident	54 Å²	54	81.5 Å²	81.5	33%	0.327	46%	0.46	S	S	.	.			trans	-69.3	117.2	167.9	179.9	0	0	0	0	108.1	Q724 N728 R802 I807	Q724-V805 HydrophobicContact CG-CB 4.5Å; Q724-V805 HydrophobicContact CG-CG1 4.27Å; N728-V805 PolarHBondContact ND2-O 3.28Å; R802-V805 HydrophobicContact CB-CG2 4.05Å; V805-I807 HydrophobicContact CG1-CG1 4.47Å
806	R	80.8	Confident	84.9	Confident	168 Å²	168	77.3 Å²	77.3	63%	0.634	45%	0.449	S	S	*	.			trans	-88.3	125	176.7	-164.7	175.1	-178	179.2	-0.5	110.2	G804 R817	G804-R806 PolarHBondContact O-N 3.36Å; R806-R817 PolarHBondContact O-NH1 3.47Å
807	I	82.4	Confident	83.7	Confident	26 Å²	26	81.3 Å²	81.3	13%	0.133	46%	0.459	C	S	.	.			trans	-112.6	121.8	175.7	-60.5	-178.3	0	0	0	107.1	N635 L725 N728 F729 V805 V809	N635-I807 HydrophobicContact CB-CG2 4.36Å; N635-I807 WeakPolarHBondContact ND2-CG2 3.32Å; L725-I807 HydrophobicContact CB-CD1 4.3Å; L725-I807 HydrophobicContact CD1-CD1 3.61Å; L725-I807 HydrophobicContact CD1-CG2 3.95Å; N728-I807 HydrophobicContact CB-CD1 3.77Å; F729-I807 HydrophobicContact CE2-CB 3.96Å; F729-I807 HydrophobicContact CE2-CG2 3.99Å; V805-I807 HydrophobicContact CG1-CG1 4.47Å; I807-V809 PolarHBondContact O-N 3Å
808	D	83.3	Confident	82.5	Confident	8 Å²	8	82 Å²	82	4%	0.043	47%	0.465	C	S	.	.			trans	-77	120.7	-177.3	-49.1	-55.2	0	0	0	109	N635 E813 A814 R817	N635-D808 PolarHBondContact ND2-O 2.94Å; N635-D808 VanDerWaalsContact ND2-O 3.13Å; D808-E813 HydrophobicContact CB-CB 4.04Å; D808-A814 HydrophobicContact CB-CB 3.99Å; D808-R817 IonicContact OD2-NH1 2.82Å
809	V	83.1	Confident	81.2	Confident	35 Å²	35	79.9 Å²	79.9	21%	0.212	46%	0.459	C	S	.	.			trans	-87.3	-33.9	-178.5	-176.9	0	0	0	0	110.5	F636 F729 F741 I807 E813	F636-V809 HydrophobicContact CE2-CG1 4.45Å; F729-V809 HydrophobicContact CE1-CG2 4.06Å; F729-V809 HydrophobicContact CE2-CG2 4.17Å; F729-V809 HydrophobicContact CZ-CG2 3.45Å; F729-V809 VanDerWaalsContact CZ-CG2 3.45Å; F741-V809 HydrophobicContact CE2-CG1 4.08Å; F741-V809 HydrophobicContact CE2-CG2 4.49Å; F741-V809 HydrophobicContact CZ-CG1 4.43Å; I807-V809 PolarHBondContact O-N 3Å; V809-E813 PolarHBondContact N-OE2 2.67Å
810	T	82.4	Confident	80	Confident	64 Å²	64	78.5 Å²	78.5	39%	0.393	46%	0.46	S	S	.	.	S	Bend	trans	-117.9	159.9	-179.6	67.4	0	0	0	0	111.7	A812 E813 A814	T810-A812 VanDerWaalsContact C-N 3.31Å; T810-A812 PolarHBondContact O-N 3.48Å; T810-E813 PolarHBondContact N-OE2 3.26Å; T810-E813 PolarHBondContact O-N 3.19Å; T810-E813 WeakPolarHBondContact OG1-CG 3.49Å; T810-E813 PolarHBondContact OG1-N 3.48Å; T810-A814 PolarHBondContact O-N 2.79Å
811	E	76.6	Confident	78.6	Confident	87 Å²	87	77.8 Å²	77.8	41%	0.407	46%	0.458	S	S	.	.	H	α-helix	trans	-65.2	-35.5	176.5	-171.5	157.5	-152.4	0	0	112.4	E813 A814 Q815	E811-E813 VanDerWaalsContact C-N 3.3Å; E811-E813 PolarHBondContact O-N 3.33Å; E811-A814 PolarHBondContact O-N 3.41Å; E811-Q815 WeakPolarHBondContact O-CG 3.41Å; E811-Q815 PolarHBondContact O-N 2.97Å
812	A	81.4	Confident	77.2	Confident	69 Å²	69	78.5 Å²	78.5	57%	0.57	46%	0.458	S	S	*	.	H	α-helix	trans	-59.5	-39.8	174.7	0	0	0	0	0	112.2	T810 A816	T810-A812 VanDerWaalsContact C-N 3.31Å; T810-A812 PolarHBondContact O-N 3.48Å; A812-A816 WeakPolarHBondContact O-CB 3.29Å; A812-A816 PolarHBondContact O-N 2.98Å; A812-A816 VanDerWaalsContact O-N 3.08Å
813	E	81.9	Confident	75.9	Confident	68 Å²	68	77.1 Å²	77.1	32%	0.318	46%	0.464	S	S	.	.	H	α-helix	trans	-65.9	-43.1	175	-72.3	175	167.7	0	0	112	D808 V809 T810 E811 A816 R817	D808-E813 HydrophobicContact CB-CB 4.04Å; V809-E813 PolarHBondContact N-OE2 2.67Å; T810-E813 PolarHBondContact N-OE2 3.26Å; T810-E813 PolarHBondContact O-N 3.19Å; T810-E813 WeakPolarHBondContact OG1-CG 3.49Å; T810-E813 PolarHBondContact OG1-N 3.48Å; E811-E813 VanDerWaalsContact C-N 3.3Å; E811-E813 PolarHBondContact O-N 3.33Å; E813-A816 PolarHBondContact O-N 2.89Å; E813-R817 PolarHBondContact O-N 2.85Å; E813-R817 VanDerWaalsContact O-N 3.11Å
814	A	74.4	Confident	75.4	Confident	18 Å²	18	75.4 Å²	75.4	15%	0.149	45%	0.447	C	S	.	.	H	α-helix	trans	-64.1	-41.4	179.3	0	0	0	0	0	112.5	D808 T810 E811 R817 S818	D808-A814 HydrophobicContact CB-CB 3.99Å; T810-A814 PolarHBondContact O-N 2.79Å; E811-A814 PolarHBondContact O-N 3.41Å; A814-R817 PolarHBondContact O-N 2.95Å; A814-S818 PolarHBondContact O-N 3.39Å; A814-S818 VanDerWaalsContact O-N 3.14Å; A814-S818 PolarHBondContact O-OG 2.93Å
815	Q	74.7	Confident	75.3	Confident	124 Å²	124	75.8 Å²	75.8	58%	0.579	43%	0.433	S	S	*	.	H	α-helix	trans	-66.3	-46	176.3	-72.1	179	0.5	0	0	111.6	E811 R817 S818 A819	E811-Q815 WeakPolarHBondContact O-CG 3.41Å; E811-Q815 PolarHBondContact O-N 2.97Å; Q815-R817 PolarHBondContact O-N 3.46Å; Q815-S818 PolarHBondContact O-N 3.4Å; Q815-S818 VanDerWaalsContact O-N 3.14Å; Q815-A819 PolarHBondContact O-N 3.5Å; Q815-A819 VanDerWaalsContact O-N 3.11Å
816	A	75.8	Confident	75.4	Confident	68 Å²	68	76 Å²	76	56%	0.562	44%	0.437	S	S	*	.	H	α-helix	trans	-58.8	-36	178.5	0	0	0	0	0	112.3	A812 E813 A820	A812-A816 WeakPolarHBondContact O-CB 3.29Å; A812-A816 PolarHBondContact O-N 2.98Å; A812-A816 VanDerWaalsContact O-N 3.08Å; E813-A816 PolarHBondContact O-N 2.89Å; A816-A820 PolarHBondContact O-N 3Å
817	R	71.1	Confident	75.7	Confident	126 Å²	126	73.9 Å²	73.9	48%	0.475	43%	0.429	S	S	.	.	H	α-helix	trans	-70	-42.5	176.1	-177.1	-179.3	178.6	166.5	2.1	112.7	R806 D808 E813 A814 Q815 A819 A820	R806-R817 PolarHBondContact O-NH1 3.47Å; D808-R817 IonicContact OD2-NH1 2.82Å; E813-R817 PolarHBondContact O-N 2.85Å; E813-R817 VanDerWaalsContact O-N 3.11Å; A814-R817 PolarHBondContact O-N 2.95Å; Q815-R817 PolarHBondContact O-N 3.46Å; R817-A819 PolarHBondContact O-N 3.24Å; R817-A820 VanDerWaalsContact O-CB 3.27Å; R817-A820 WeakPolarHBondContact O-CB 3.16Å; R817-A820 PolarHBondContact O-N 3.38Å; R817-A820 VanDerWaalsContact O-N 3.11Å
818	S	68.4	Low	75.8	Confident	97 Å²	97	73.2 Å²	73.2	68%	0.678	43%	0.426	S	S	*	.	H	α-helix	trans	-65.2	-30.1	-179	-57.3	0	0	0	0	111.9	A814 Q815 A820	A814-S818 PolarHBondContact O-N 3.39Å; A814-S818 VanDerWaalsContact O-N 3.14Å; A814-S818 PolarHBondContact O-OG 2.93Å; Q815-S818 PolarHBondContact O-N 3.4Å; Q815-S818 VanDerWaalsContact O-N 3.14Å; S818-A820 VanDerWaalsContact C-N 3.34Å
819	A	67.9	Low	76	Confident	82 Å²	82	79.1 Å²	79.1	68%	0.678	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.1	175.7	0	0	0	0	0	114.4	Q815 R817	Q815-A819 PolarHBondContact O-N 3.5Å; Q815-A819 VanDerWaalsContact O-N 3.11Å; R817-A819 PolarHBondContact O-N 3.24Å
820	A	69.5	Low	76.3	Confident	38 Å²	38	84.4 Å²	84.4	31%	0.314	47%	0.473	S	S	.	.	S	Bend	trans	-67.2	134.7	-175.7	0	0	0	0	0	111.4	A816 R817 S818	A816-A820 PolarHBondContact O-N 3Å; R817-A820 VanDerWaalsContact O-CB 3.27Å; R817-A820 WeakPolarHBondContact O-CB 3.16Å; R817-A820 PolarHBondContact O-N 3.38Å; R817-A820 VanDerWaalsContact O-N 3.11Å; S818-A820 VanDerWaalsContact C-N 3.34Å
821	P	64.7	Low	76.7	Confident	98 Å²	98	82 Å²	82	64%	0.636	46%	0.458	S	S	*	.			trans	-63.4	145	-178.9	22.3	-30.3	0	0	0	112.1	N823	P821-N823 PolarHBondContact O-N 3.38Å
822	M	64.6	Low	77.3	Confident	55 Å²	55	79.2 Å²	79.2	27%	0.271	45%	0.445	S	S	.	.			trans	-67.9	114.4	-178	-167.8	-176	80.8	0	0	110.6	N682 T825 L828	N682-M822 WeakPolarHBondContact OD1-CG 3.27Å; M822-T825 HydrophobicContact CE-CG2 3.84Å; M822-L828 HydrophobicContact CE-CD2 3.72Å; M822-L828 HydrophobicContact SD-CD2 4.12Å
823	N	63.9	Low	77.7	Confident	149 Å²	149	83.8 Å²	83.8	80%	0.797	45%	0.452	S	S	*	.			trans	-97.7	-10.6	-175.3	-79.1	-17.7	0	0	0	114.8	P821	P821-N823 PolarHBondContact O-N 3.38Å
824	D	75.1	Confident	78	Confident	68 Å²	68	81.7 Å²	81.7	36%	0.364	45%	0.446	S	S	.	.			trans	-118.6	68.1	-171.2	-163.7	-4.4	0	0	0	113.8	S826 R827 L828	D824-S826 VanDerWaalsContact C-N 3.3Å; D824-S826 PolarHBondContact O-N 2.97Å; D824-R827 HydrophobicContact CB-CB 4.4Å; D824-R827 VanDerWaalsContact CG-CB 3.42Å; D824-R827 PolarHBondContact O-N 3.02Å; D824-R827 WeakPolarHBondContact OD1-CB 3.41Å; D824-R827 PolarHBondContact OD1-N 2.81Å; D824-R827 VanDerWaalsContact OD1-N 3.17Å; D824-R827 VanDerWaalsContact OD2-CB 3.3Å; D824-R827 WeakPolarHBondContact OD2-CB 3.3Å; D824-R827 WeakPolarHBondContact OD2-CD 3.46Å; D824-L828 PolarHBondContact O-N 3.26Å
825	T	78	Confident	78.7	Confident	90 Å²	90	80.9 Å²	80.9	55%	0.552	44%	0.439	S	S	*	.	H	α-helix	trans	-63.2	-33.1	176.6	43.7	0	0	0	0	113.1	M822 R827 L828 E829	M822-T825 HydrophobicContact CE-CG2 3.84Å; T825-R827 PolarHBondContact O-N 2.99Å; T825-L828 WeakPolarHBondContact O-CB 3.43Å; T825-L828 PolarHBondContact O-N 2.66Å; T825-E829 PolarHBondContact O-N 3.14Å; T825-E829 VanDerWaalsContact O-N 3.07Å
826	S	84.4	Confident	79.2	Confident	59 Å²	59	82.9 Å²	82.9	41%	0.413	44%	0.441	S	S	.	.	H	α-helix	trans	-61.7	-42.5	179.6	-175.9	0	0	0	0	112.5	D824 E829 K830	D824-S826 VanDerWaalsContact C-N 3.3Å; D824-S826 PolarHBondContact O-N 2.97Å; S826-E829 PolarHBondContact O-N 3.06Å; S826-K830 PolarHBondContact O-N 3.19Å
827	R	85.6	Confident	79.5	Confident	122 Å²	122	83.5 Å²	83.5	46%	0.46	44%	0.441	S	S	.	.	H	α-helix	trans	-67.5	-38.9	178.1	-168.9	167.4	176.1	162.7	-7.8	111.8	L685 E689 D824 T825 E829 K830 L831	L685-R827 HydrophobicContact CD1-CB 4.18Å; L685-R827 HydrophobicContact CD1-CG 4.04Å; E689-R827 IonicContact OE1-CZ 3.82Å; E689-R827 IonicContact OE1-NE 2.76Å; E689-R827 PolarHBondContact OE1-NE 3.39Å; E689-R827 IonicContact OE1-NH2 3.95Å; E689-R827 PolarHBondContact OE1-NH2 3.35Å; E689-R827 IonicContact OE2-NH2 3.06Å; D824-R827 HydrophobicContact CB-CB 4.4Å; D824-R827 VanDerWaalsContact CG-CB 3.42Å; D824-R827 PolarHBondContact O-N 3.02Å; D824-R827 WeakPolarHBondContact OD1-CB 3.41Å; D824-R827 PolarHBondContact OD1-N 2.81Å; D824-R827 VanDerWaalsContact OD1-N 3.17Å; D824-R827 VanDerWaalsContact OD2-CB 3.3Å; D824-R827 WeakPolarHBondContact OD2-CB 3.3Å; D824-R827 WeakPolarHBondContact OD2-CD 3.46Å; T825-R827 PolarHBondContact O-N 2.99Å; R827-E829 PolarHBondContact O-N 3.4Å; R827-K830 PolarHBondContact O-N 2.92Å; R827-L831 WeakPolarHBondContact O-CG 3.48Å; R827-L831 PolarHBondContact O-N 2.89Å
828	L	85.3	Confident	79.8	Confident	13 Å²	13	78.8 Å²	78.8	7%	0.068	42%	0.424	C	S	.	.	H	α-helix	trans	-61.3	-43.3	175.8	-163.5	75	0	0	0	112.1	L677 P684 L685 L688 M822 D824 T825 K830 L831 Q832	L677-L828 HydrophobicContact CD2-CD1 4.37Å; L677-L828 HydrophobicContact CD2-CD2 3.54Å; L677-L828 HydrophobicContact CD2-CG 4.02Å; P684-L828 HydrophobicContact CB-CD1 4.03Å; L685-L828 HydrophobicContact CB-CD1 4.22Å; L685-L828 HydrophobicContact CD1-CB 4.35Å; L685-L828 HydrophobicContact CD1-CD1 4.07Å; L688-L828 HydrophobicContact CD1-CD1 3.94Å; M822-L828 HydrophobicContact CE-CD2 3.72Å; M822-L828 HydrophobicContact SD-CD2 4.12Å; D824-L828 PolarHBondContact O-N 3.26Å; T825-L828 WeakPolarHBondContact O-CB 3.43Å; T825-L828 PolarHBondContact O-N 2.66Å; L828-K830 VanDerWaalsContact C-N 3.35Å; L828-K830 PolarHBondContact O-N 2.93Å; L828-L831 PolarHBondContact O-N 3.46Å; L828-Q832 WeakPolarHBondContact O-CG 3.42Å; L828-Q832 PolarHBondContact O-N 2.69Å
829	E	87	Confident	79.5	Confident	132 Å²	132	79.4 Å²	79.4	62%	0.617	43%	0.429	S	S	*	.	H	α-helix	trans	-61.4	-41.2	175.7	-73.5	-179.7	171.8	0	0	112.5	T825 S826 R827 L831 Q832 K833	T825-E829 PolarHBondContact O-N 3.14Å; T825-E829 VanDerWaalsContact O-N 3.07Å; S826-E829 PolarHBondContact O-N 3.06Å; R827-E829 PolarHBondContact O-N 3.4Å; E829-L831 PolarHBondContact O-N 3.19Å; E829-Q832 PolarHBondContact O-N 2.85Å; E829-K833 PolarHBondContact O-N 3.05Å
830	K	89.7	Confident	79.2	Confident	146 Å²	146	79.7 Å²	79.7	64%	0.635	42%	0.419	S	S	*	.	H	α-helix	trans	-62.8	-41.7	176.5	-72.8	173.6	-175.8	170.6	0	111.9	S826 R827 L828 K833 A834	S826-K830 PolarHBondContact O-N 3.19Å; R827-K830 PolarHBondContact O-N 2.92Å; L828-K830 VanDerWaalsContact C-N 3.35Å; L828-K830 PolarHBondContact O-N 2.93Å; K830-K833 PolarHBondContact O-N 3.09Å; K830-A834 PolarHBondContact O-N 3.21Å
831	L	90.6	Very high	78.9	Confident	14 Å²	14	80.1 Å²	80.1	7%	0.073	42%	0.418	C	S	.	.	H	α-helix	trans	-63.8	-46.3	176.5	-69.3	166.5	0	0	0	111.5	L685 L688 E689 K692 R827 L828 E829 K833 A834 L835	L685-L831 HydrophobicContact CD1-CD1 3.68Å; L688-L831 HydrophobicContact CB-CB 4.12Å; L688-L831 HydrophobicContact CB-CD1 4.18Å; E689-L831 HydrophobicContact CB-CD1 4.5Å; E689-L831 HydrophobicContact CG-CD1 3.42Å; E689-L831 VanDerWaalsContact CG-CD1 3.42Å; E689-L831 HydrophobicContact CG-CD2 3.98Å; E689-L831 HydrophobicContact CG-CG 4.33Å; K692-L831 HydrophobicContact CB-CD2 4.23Å; K692-L831 HydrophobicContact CD-CD2 3.61Å; R827-L831 WeakPolarHBondContact O-CG 3.48Å; R827-L831 PolarHBondContact O-N 2.89Å; L828-L831 PolarHBondContact O-N 3.46Å; E829-L831 PolarHBondContact O-N 3.19Å; L831-K833 VanDerWaalsContact C-N 3.31Å; L831-K833 PolarHBondContact O-N 2.88Å; L831-A834 PolarHBondContact O-N 3.14Å; L831-L835 WeakPolarHBondContact O-CB 3.32Å; L831-L835 WeakPolarHBondContact O-CG 3.46Å; L831-L835 PolarHBondContact O-N 3.33Å
832	Q	89.8	Confident	78.7	Confident	27 Å²	27	80.8 Å²	80.8	13%	0.126	43%	0.425	C	S	.	.	H	α-helix	trans	-57.1	-45.5	175.3	-71.9	176.8	57.5	0	0	111.4	L677 L688 L828 E829 A834 L835 R836	L677-Q832 HydrophobicContact CD1-CG 4.45Å; L688-Q832 HydrophobicContact CD1-CG 4Å; L828-Q832 WeakPolarHBondContact O-CG 3.42Å; L828-Q832 PolarHBondContact O-N 2.69Å; E829-Q832 PolarHBondContact O-N 2.85Å; Q832-A834 PolarHBondContact O-N 2.86Å; Q832-L835 PolarHBondContact O-N 3.08Å; Q832-R836 WeakPolarHBondContact O-CB 3.46Å; Q832-R836 VanDerWaalsContact O-CG 3.26Å; Q832-R836 WeakPolarHBondContact O-CG 3.27Å; Q832-R836 PolarHBondContact O-N 3.34Å
833	K	88.8	Confident	79	Confident	165 Å²	165	88.6 Å²	88.6	72%	0.717	45%	0.451	S	S	*	.	H	α-helix	trans	-62.6	-43.8	179	-170.7	177.4	-178.9	179.1	0	111.8	E829 K830 L831 S837	E829-K833 PolarHBondContact O-N 3.05Å; K830-K833 PolarHBondContact O-N 3.09Å; L831-K833 VanDerWaalsContact C-N 3.31Å; L831-K833 PolarHBondContact O-N 2.88Å; K833-S837 PolarHBondContact O-N 3.47Å
834	A	89.2	Confident	80	Confident	24 Å²	24	83.1 Å²	83.1	20%	0.198	42%	0.422	C	S	.	.	H	α-helix	trans	-61.7	-47.1	177.3	0	0	0	0	0	111.5	K692 L696 K830 L831 Q832 S837	K692-A834 HydrophobicContact CD-CB 4.24Å; L696-A834 HydrophobicContact CD1-CB 4.49Å; K830-A834 PolarHBondContact O-N 3.21Å; L831-A834 PolarHBondContact O-N 3.14Å; Q832-A834 PolarHBondContact O-N 2.86Å; A834-S837 PolarHBondContact O-N 3.2Å; A834-S837 PolarHBondContact O-OG 2.96Å
835	L	89.1	Confident	80.6	Confident	1 Å²	1	86.4 Å²	86.4	1%	0.005	44%	0.435	C	S	.	.	H	α-helix	trans	-68.1	-39.4	-179.4	-69.8	174.4	0	0	0	112.7	F665 L673 L688 L691 K692 L696 L831 Q832 S837 F838	F665-L835 HydrophobicContact CE2-CB 4.28Å; F665-L835 HydrophobicContact CZ-CB 3.94Å; L673-L835 HydrophobicContact CD2-CD1 4.43Å; L688-L835 HydrophobicContact CB-CD1 4.03Å; L688-L835 HydrophobicContact CD2-CD1 3.74Å; L688-L835 HydrophobicContact CG-CD1 4.36Å; L691-L835 HydrophobicContact CB-CD1 4.34Å; L691-L835 HydrophobicContact CB-CD2 4.49Å; L691-L835 HydrophobicContact CD2-CD1 3.84Å; L691-L835 HydrophobicContact CD2-CD2 3.78Å; L691-L835 HydrophobicContact CD2-CG 4.39Å; K692-L835 HydrophobicContact CB-CD2 4.13Å; L696-L835 HydrophobicContact CD1-CD2 4Å; L831-L835 WeakPolarHBondContact O-CB 3.32Å; L831-L835 WeakPolarHBondContact O-CG 3.46Å; L831-L835 PolarHBondContact O-N 3.33Å; Q832-L835 PolarHBondContact O-N 3.08Å; L835-S837 PolarHBondContact O-N 3.47Å; L835-F838 VanDerWaalsContact O-CB 3.27Å; L835-F838 WeakPolarHBondContact O-CB 3.11Å; L835-F838 PolarHBondContact O-N 3.34Å; L835-F838 VanDerWaalsContact O-N 3.15Å
836	R	85.6	Confident	81.4	Confident	166 Å²	166	82.2 Å²	82.2	63%	0.626	41%	0.409	S	S	*	.	H	α-helix	trans	-64.3	-27	174.5	-74	178.2	-175.9	159.8	7.4	113.2	L673 Q832 F838	L673-R836 HydrophobicContact CD1-CG 3.69Å; Q832-R836 WeakPolarHBondContact O-CB 3.46Å; Q832-R836 VanDerWaalsContact O-CG 3.26Å; Q832-R836 WeakPolarHBondContact O-CG 3.27Å; Q832-R836 PolarHBondContact O-N 3.34Å; R836-F838 PolarHBondContact O-N 3.35Å
837	S	81.7	Confident	81.9	Confident	81 Å²	81	82.1 Å²	82.1	57%	0.566	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.1	177.4	73.7	0	0	0	0	113.8	K833 A834 L835 S839	K833-S837 PolarHBondContact O-N 3.47Å; A834-S837 PolarHBondContact O-N 3.2Å; A834-S837 PolarHBondContact O-OG 2.96Å; L835-S837 PolarHBondContact O-N 3.47Å; S837-S839 PolarHBondContact O-N 3.32Å
838	F	77.8	Confident	82.4	Confident	27 Å²	27	79.1 Å²	79.1	12%	0.118	40%	0.399	C	S	.	.			trans	-72.6	92	177	-171.4	-102.3	0	0	0	110.3	L666 L696 L835 R836 T841 L844	L666-F838 HydrophobicContact CD2-CD1 4.32Å; L666-F838 HydrophobicContact CD2-CE1 3.69Å; L696-F838 HydrophobicContact CD2-CD2 3.61Å; L696-F838 HydrophobicContact CD2-CE2 4.3Å; L696-F838 HydrophobicContact CD2-CG 4.48Å; L696-F838 HydrophobicContact CG-CD2 4.21Å; L835-F838 VanDerWaalsContact O-CB 3.27Å; L835-F838 WeakPolarHBondContact O-CB 3.11Å; L835-F838 PolarHBondContact O-N 3.34Å; L835-F838 VanDerWaalsContact O-N 3.15Å; R836-F838 PolarHBondContact O-N 3.35Å; F838-T841 HydrophobicContact CD1-CG2 4.01Å; F838-T841 HydrophobicContact CE1-CG2 4.3Å; F838-L844 HydrophobicContact CZ-CD2 4.27Å
839	S	61.5	Low	83	Confident	111 Å²	111	78.7 Å²	78.7	78%	0.776	40%	0.397	S	S	*	.			trans	-91.9	-0.6	-171.5	45	0	0	0	0	114.7	S837	S837-S839 PolarHBondContact O-N 3.32Å
840	N	61.7	Low	83.3	Confident	88 Å²	88	79.7 Å²	79.7	47%	0.471	40%	0.401	S	S	.	.			trans	-102.9	35.6	-172.3	-139.8	5.8	0	0	0	113	S842	N840-S842 VanDerWaalsContact C-N 3.27Å; N840-S842 PolarHBondContact O-N 3.42Å
841	T	62	Low	83.6	Confident	46 Å²	46	74.6 Å²	74.6	28%	0.282	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.8	-174.2	50.7	0	0	0	0	113.5	L666 P669 F838 R843	L666-T841 HydrophobicContact CD2-CG2 4Å; P669-T841 HydrophobicContact CG-CG2 4.23Å; F838-T841 HydrophobicContact CD1-CG2 4.01Å; F838-T841 HydrophobicContact CE1-CG2 4.3Å; T841-R843 PolarHBondContact O-N 3.12Å
842	S	60.9	Low	83.7	Confident	112 Å²	112	76.9 Å²	76.9	78%	0.783	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-5	-172.1	45.8	0	0	0	0	116.1	N840	N840-S842 VanDerWaalsContact C-N 3.27Å; N840-S842 PolarHBondContact O-N 3.42Å
843	R	71.8	Confident	83.7	Confident	220 Å²	220	77.7 Å²	77.7	83%	0.83	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	-14.9	179.4	-71.4	-172.8	-178.7	-178	1.8	115.2	T841	T841-R843 PolarHBondContact O-N 3.12Å
844	L	84.7	Confident	83.5	Confident	34 Å²	34	71.4 Å²	71.4	18%	0.178	37%	0.367	C	S	.	.			trans	-96.5	111.7	-177.5	-175.5	63.4	0	0	0	109.1	L666 L695 F838 I846	L666-L844 HydrophobicContact CD1-CB 4.45Å; L666-L844 HydrophobicContact CD1-CD2 4.21Å; L666-L844 HydrophobicContact CD1-CG 4.23Å; L695-L844 HydrophobicContact CD2-CD2 3.97Å; F838-L844 HydrophobicContact CZ-CD2 4.27Å; L844-I846 HydrophobicContact CD1-CD1 4.44Å; L844-I846 HydrophobicContact CD2-CD1 4.38Å; L844-I846 HydrophobicContact CG-CD1 4.22Å; L844-I846 HydrophobicContact CG-CG1 4.49Å
845	H	87.5	Confident	83.4	Confident	136 Å²	136	73.8 Å²	73.8	63%	0.63	38%	0.376	S	S	*	.			trans	-97.6	132.1	169.2	-171.4	67.6	0	0	0	109	N847	H845-N847 PolarHBondContact CD2-OD1 2.8Å; H845-N847 VanDerWaalsContact CD2-OD1 3.26Å; H845-N847 PolarHBondContact NE2-OD1 3.21Å
846	I	94.1	Very high	83.3	Confident	3 Å²	3	76.9 Å²	76.9	2%	0.015	39%	0.393	C	S	.	.			trans	-109.4	121.9	174.4	-63.9	-64	0	0	0	107.2	M662 L666 C775 Y776 L844 V848	M662-I846 HydrophobicContact CB-CG1 4.11Å; M662-I846 HydrophobicContact CB-CG2 4.2Å; M662-I846 HydrophobicContact CE-CD1 4.33Å; M662-I846 HydrophobicContact CE-CG2 4.06Å; M662-I846 HydrophobicContact SD-CD1 4.32Å; L666-I846 HydrophobicContact CD1-CG1 3.61Å; C775-I846 WeakPolarHBondContact O-CA 3.31Å; Y776-I846 HydrophobicContact CD1-CD1 3.77Å; Y776-I846 HydrophobicContact CE1-CD1 3.88Å; Y776-I846 HydrophobicContact CG-CD1 4.37Å; L844-I846 HydrophobicContact CD1-CD1 4.44Å; L844-I846 HydrophobicContact CD2-CD1 4.38Å; L844-I846 HydrophobicContact CG-CD1 4.22Å; L844-I846 HydrophobicContact CG-CG1 4.49Å; I846-V848 PolarHBondContact O-N 3.44Å
847	N	96	Very high	83.6	Confident	56 Å²	56	71 Å²	71	30%	0.299	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-75.1	121	171.5	-63.8	-27.5	0	0	0	107.7	E774 C775 H845 I849	E774-N847 WeakPolarHBondContact O-CB 3.4Å; E774-N847 PolarHBondContact O-ND2 2.69Å; C775-N847 PolarHBondContact O-N 2.68Å; H845-N847 PolarHBondContact CD2-OD1 2.8Å; H845-N847 VanDerWaalsContact CD2-OD1 3.26Å; H845-N847 PolarHBondContact NE2-OD1 3.21Å; N847-I849 PolarHBondContact O-N 3.27Å
848	V	96.2	Very high	84.2	Confident	60 Å²	60	67.9 Å²	67.9	36%	0.364	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-77.6	121	173.8	-180	0	0	0	0	107.5	S659 Q660 I846	S659-V848 WeakPolarHBondContact OG-CA 3.3Å; Q660-V848 HydrophobicContact CB-CG1 4.23Å; I846-V848 PolarHBondContact O-N 3.44Å
849	I	97.2	Very high	85.1	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.021	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-84.6	132.6	175.4	-54.9	-60.8	0	0	0	107.9	F651 F655 V656 S659 E774 C775 N847	F651-I849 HydrophobicContact CZ-CG2 3.95Å; F655-I849 HydrophobicContact CB-CB 4.25Å; F655-I849 HydrophobicContact CB-CG1 4.39Å; F655-I849 HydrophobicContact CB-CG2 4.28Å; V656-I849 WeakPolarHBondContact CG2-O 3.46Å; S659-I849 PolarHBondContact OG-N 3.42Å; E774-I849 HydrophobicContact CB-CD1 4.09Å; E774-I849 HydrophobicContact CG-CD1 3.71Å; C775-I849 WeakPolarHBondContact SG-CG1 3.45Å; N847-I849 PolarHBondContact O-N 3.27Å
850	E	94.1	Very high	86.8	Confident	153 Å²	153	62.5 Å²	62.5	72%	0.715	32%	0.319	S	S	*	.			trans	-115.6	138.1	169.8	-67.5	-176	173.3	0	0	108.3	E852 H860	E850-E852 PolarHBondContact O-N 3.42Å; E850-H860 PolarHBondContact O-CE1 3.48Å
851	F	95.3	Very high	88.5	Confident	38 Å²	38	58.3 Å²	58.3	17%	0.167	30%	0.297	C	S	.	.			trans	-67.4	121.9	179.8	174.5	-96.3	0	0	0	111.3	F651 K853 H860 M861 I864	F651-F851 HydrophobicContact CD1-CB 4.43Å; F651-F851 HydrophobicContact CD1-CD2 4.03Å; F651-F851 HydrophobicContact CE1-CB 3.82Å; F651-F851 AromaticContact CE1-CD2 3.76Å; F651-F851 HydrophobicContact CE1-CD2 3.76Å; F651-F851 HydrophobicContact CE1-CG 4.29Å; F651-F851 HydrophobicContact CZ-CD2 4.27Å; F851-K853 HydrophobicContact CE1-CB 3.59Å; F851-K853 HydrophobicContact CE1-CD 4.28Å; F851-K853 HydrophobicContact CE1-CG 4.36Å; F851-K853 HydrophobicContact CZ-CB 3.58Å; F851-H860 HydrophobicContact CD2-CB 4.13Å; F851-H860 HydrophobicContact CE2-CB 4.11Å; F851-M861 HydrophobicContact CE2-SD 4.23Å; F851-M861 HydrophobicContact CZ-SD 4.01Å; F851-I864 HydrophobicContact CD2-CD1 4.15Å; F851-I864 HydrophobicContact CE2-CD1 3.49Å; F851-I864 VanDerWaalsContact CE2-CD1 3.49Å; F851-I864 HydrophobicContact CZ-CD1 4.29Å
852	E	92.1	Very high	90.1	Very high	63 Å²	63	58.2 Å²	58.2	29%	0.294	30%	0.295	S	S	.	.			trans	-125	118.7	170.7	178.3	53.6	-95.5	0	0	110.2	E850 D854 D855 N858 H860	E850-E852 PolarHBondContact O-N 3.42Å; E852-D854 PolarHBondContact OE1-N 3.01Å; E852-D855 HydrophobicContact CG-CB 3.85Å; E852-N858 PolarHBondContact O-ND2 3.27Å; E852-H860 PolarHBondContact N-CE1 3.39Å; E852-H860 PolarHBondContact N-ND1 2.96Å; E852-H860 PolarHBondContact O-ND1 3.47Å
853	K	90.9	Very high	91.9	Very high	44 Å²	44	52.9 Å²	52.9	19%	0.191	26%	0.258	C	S	.	.	S	Bend	trans	-85.7	-27.1	-179	63.8	-152.2	172.4	-55.4	0	113.1	F851 M861 K886 G890 I892	F851-K853 HydrophobicContact CE1-CB 3.59Å; F851-K853 HydrophobicContact CE1-CD 4.28Å; F851-K853 HydrophobicContact CE1-CG 4.36Å; F851-K853 HydrophobicContact CZ-CB 3.58Å; K853-M861 HydrophobicContact CB-SD 4.48Å; K853-K886 WeakPolarHBondContact O-CE 3.13Å; K853-K886 PolarHBondContact O-NZ 3.46Å; K853-G890 WeakPolarHBondContact CD-O 3.37Å; K853-I892 HydrophobicContact CD-CD1 4.45Å; K853-I892 HydrophobicContact CD-CG1 4.03Å
854	D	84.7	Confident	93.2	Very high	33 Å²	33	42.4 Å²	42.4	18%	0.176	22%	0.218	C	C	.	.	S	Bend	trans	-96.1	-0.3	-168.8	-67.4	-54.1	0	0	0	113.3	R51 E852 K886	R51-D854 IonicContact CZ-OD1 2.95Å; R51-D854 IonicContact CZ-OD2 2.93Å; R51-D854 IonicContact NH1-OD1 3.02Å; R51-D854 PolarHBondContact NH1-OD1 3.08Å; R51-D854 IonicContact NH1-OD2 3.52Å; R51-D854 IonicContact NH2-OD1 2.63Å; R51-D854 IonicContact NH2-OD2 3.68Å; R51-D854 PolarHBondContact NH2-OD2 2.84Å; E852-D854 PolarHBondContact OE1-N 3.01Å; D854-K886 WeakPolarHBondContact OD1-CE 3.41Å; D854-K886 IonicContact OD1-NZ 2.79Å
855	D	87.7	Confident	93.8	Very high	73 Å²	73	41.4 Å²	41.4	39%	0.39	21%	0.214	S	C	.	.			trans	-102.4	109.3	167.5	176.4	11.9	0	0	0	111	E852 A857 N858	E852-D855 HydrophobicContact CG-CB 3.85Å; D855-A857 PolarHBondContact O-N 3.48Å; D855-A857 WeakPolarHBondContact OD1-CB 3.26Å; D855-A857 PolarHBondContact OD1-N 2.91Å; D855-N858 WeakPolarHBondContact CB-ND2 3.24Å; D855-N858 PolarHBondContact O-ND2 3.38Å; D855-N858 PolarHBondContact O-OD1 3.37Å
856	D	86.8	Confident	94.4	Very high	66 Å²	66	35 Å²	35	35%	0.353	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.3	-179.7	-66.5	-42.6	0	0	0	113.6	R882 K886	D856-R882 VanDerWaalsContact CG-NH1 3.3Å; D856-R882 IonicContact OD1-CZ 3.28Å; D856-R882 VanDerWaalsContact OD1-CZ 3.28Å; D856-R882 IonicContact OD1-NH1 3.76Å; D856-R882 PolarHBondContact OD1-NH1 3.02Å; D856-R882 IonicContact OD1-NH2 2.7Å; D856-R882 PolarHBondContact OD1-NH2 3.42Å; D856-R882 IonicContact OD2-NH1 3.64Å; D856-K886 IonicContact OD1-NZ 2.98Å
857	A	90.6	Very high	94.6	Very high	43 Å²	43	34.9 Å²	34.9	36%	0.355	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-12.3	-176.9	0	0	0	0	0	113.7	R782 D855	R782-A857 PolarHBondContact NH1-O 3.36Å; R782-A857 VanDerWaalsContact NH1-O 3.07Å; R782-A857 PolarHBondContact NH2-O 3.07Å; D855-A857 PolarHBondContact O-N 3.48Å; D855-A857 WeakPolarHBondContact OD1-CB 3.26Å; D855-A857 PolarHBondContact OD1-N 2.91Å
858	N	94.6	Very high	94.7	Very high	16 Å²	16	32.2 Å²	32.2	9%	0.086	17%	0.169	C	C	.	.	S	Bend	trans	-88.6	-0.2	-171.4	66.9	18.1	0	0	0	115.3	L771 E852 D855 H860	L771-N858 WeakPolarHBondContact CD2-O 3.47Å; E852-N858 PolarHBondContact O-ND2 3.27Å; D855-N858 WeakPolarHBondContact CB-ND2 3.24Å; D855-N858 PolarHBondContact O-ND2 3.38Å; D855-N858 PolarHBondContact O-OD1 3.37Å; N858-H860 VanDerWaalsContact CG-CG 3.41Å; N858-H860 VanDerWaalsContact CG-ND1 3.31Å; N858-H860 PolarHBondContact ND2-CE1 2.93Å; N858-H860 VanDerWaalsContact ND2-CE1 3.33Å; N858-H860 PolarHBondContact ND2-ND1 3.38Å; N858-H860 PolarHBondContact O-CD2 2.87Å; N858-H860 PolarHBondContact O-N 3.49Å; N858-H860 VanDerWaalsContact OD1-CB 3.29Å; N858-H860 WeakPolarHBondContact OD1-CB 3.38Å; N858-H860 PolarHBondContact OD1-N 2.88Å
859	F	96.9	Very high	94.8	Very high	16 Å²	16	30.5 Å²	30.5	7%	0.07	16%	0.158	C	C	.	.	S	Bend	trans	65.8	4.7	-177.5	-52.9	-79.2	0	0	0	116.9	A767 N770 L771 R782 D862 F863	A767-F859 HydrophobicContact CB-CB 4.12Å; N770-F859 HydrophobicContact CB-CD2 3.7Å; N770-F859 HydrophobicContact CB-CE2 3.71Å; N770-F859 HydrophobicContact CB-CG 4.18Å; N770-F859 HydrophobicContact CB-CZ 4.21Å; L771-F859 HydrophobicContact CD2-CB 4.35Å; L771-F859 HydrophobicContact CG-CB 4.2Å; R782-F859 HydrophobicContact CG-CZ 4.01Å; F859-D862 WeakPolarHBondContact CA-OD2 3.38Å; F859-F863 WeakPolarHBondContact O-CB 3.39Å; F859-F863 PolarHBondContact O-N 3.35Å
860	H	97.6	Very high	94.9	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-56.7	-179.1	-62.3	167.3	0	0	0	111.6	F651 E850 F851 E852 N858 D862 F863 I864	F651-H860 HydrophobicContact CE2-CB 3.99Å; F651-H860 AromaticContact CE2-CD2 3.57Å; F651-H860 AromaticContact CE2-CG 3.9Å; F651-H860 HydrophobicContact CZ-CB 4.04Å; F651-H860 AromaticContact CZ-CD2 3.37Å; F651-H860 WeakPolarHBondContact CZ-CD2 3.11Å; F651-H860 AromaticContact CZ-CG 3.61Å; F651-H860 AromaticContact CZ-NE2 3.85Å; E850-H860 PolarHBondContact O-CE1 3.48Å; F851-H860 HydrophobicContact CD2-CB 4.13Å; F851-H860 HydrophobicContact CE2-CB 4.11Å; E852-H860 PolarHBondContact N-CE1 3.39Å; E852-H860 PolarHBondContact N-ND1 2.96Å; E852-H860 PolarHBondContact O-ND1 3.47Å; N858-H860 VanDerWaalsContact CG-CG 3.41Å; N858-H860 VanDerWaalsContact CG-ND1 3.31Å; N858-H860 PolarHBondContact ND2-CE1 2.93Å; N858-H860 VanDerWaalsContact ND2-CE1 3.33Å; N858-H860 PolarHBondContact ND2-ND1 3.38Å; N858-H860 PolarHBondContact O-CD2 2.87Å; N858-H860 PolarHBondContact O-N 3.49Å; N858-H860 VanDerWaalsContact OD1-CB 3.29Å; N858-H860 WeakPolarHBondContact OD1-CB 3.38Å; N858-H860 PolarHBondContact OD1-N 2.88Å; H860-D862 VanDerWaalsContact C-N 3.28Å; H860-D862 PolarHBondContact O-N 3Å; H860-F863 PolarHBondContact O-N 2.89Å; H860-I864 WeakPolarHBondContact O-CG1 3.29Å; H860-I864 PolarHBondContact O-N 3.42Å; H860-I864 VanDerWaalsContact O-N 3.08Å
861	M	96.2	Very high	95.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-67.7	-31.4	178.5	-75.9	-54	-41.8	0	0	112.1	F851 K853 I864 T865 K886 A889	F851-M861 HydrophobicContact CE2-SD 4.23Å; F851-M861 HydrophobicContact CZ-SD 4.01Å; K853-M861 HydrophobicContact CB-SD 4.48Å; M861-I864 HydrophobicContact CE-CB 4.42Å; M861-I864 HydrophobicContact CE-CG2 4.35Å; M861-I864 PolarHBondContact O-N 3.29Å; M861-I864 HydrophobicContact SD-CD1 4.41Å; M861-T865 WeakPolarHBondContact O-CB 3.35Å; M861-T865 PolarHBondContact O-N 2.8Å; M861-T865 PolarHBondContact O-OG1 2.91Å; M861-K886 HydrophobicContact CE-CB 3.83Å; M861-K886 HydrophobicContact CG-CB 4.5Å; M861-K886 HydrophobicContact CG-CD 4.4Å; M861-K886 HydrophobicContact CG-CG 4.39Å; M861-K886 HydrophobicContact SD-CB 4.25Å; M861-K886 HydrophobicContact SD-CG 4.36Å; M861-A889 HydrophobicContact CE-CB 4.44Å
862	D	96.9	Very high	95.2	Very high	44 Å²	44	21.6 Å²	21.6	24%	0.235	12%	0.116	C	C	.	.	H	α-helix	trans	-65.4	-42.5	177.7	-51.7	-30.4	0	0	0	110.6	A767 F859 H860 A866 R882	A767-D862 HydrophobicContact CB-CB 4.21Å; F859-D862 WeakPolarHBondContact CA-OD2 3.38Å; H860-D862 VanDerWaalsContact C-N 3.28Å; H860-D862 PolarHBondContact O-N 3Å; D862-A866 VanDerWaalsContact O-CB 3.28Å; D862-A866 WeakPolarHBondContact O-CB 3.41Å; D862-A866 PolarHBondContact O-N 2.62Å; D862-R882 IonicContact OD1-CZ 3.27Å; D862-R882 IonicContact OD1-NE 3.03Å; D862-R882 PolarHBondContact OD1-NE 3.44Å; D862-R882 IonicContact OD1-NH2 3.67Å; D862-R882 PolarHBondContact OD1-NH2 2.87Å
863	F	98.4	Very high	95.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-50.3	172.8	176.7	-92.8	0	0	0	111.6	L650 F651 L654 F655 F764 A767 A768 L771 F859 H860 A866 A867	L650-F863 HydrophobicContact CD2-CE1 4.18Å; L650-F863 HydrophobicContact CD2-CZ 3.79Å; L650-F863 HydrophobicContact CG-CE1 4.25Å; L650-F863 HydrophobicContact CG-CZ 4.03Å; F651-F863 HydrophobicContact CB-CD1 3.88Å; F651-F863 HydrophobicContact CB-CE1 3.87Å; F651-F863 HydrophobicContact CD2-CB 4.47Å; F651-F863 AromaticContact CD2-CD1 3.73Å; F651-F863 HydrophobicContact CD2-CD1 3.73Å; F651-F863 HydrophobicContact CD2-CE1 4.37Å; F651-F863 HydrophobicContact CD2-CG 4.31Å; F651-F863 HydrophobicContact CG-CD1 4.3Å; L654-F863 HydrophobicContact CD1-CZ 4.05Å; F655-F863 HydrophobicContact CE2-CD1 4.06Å; F655-F863 AromaticContact CE2-CD2 3.89Å; F655-F863 HydrophobicContact CE2-CD2 3.89Å; F655-F863 AromaticContact CE2-CE1 3.89Å; F655-F863 HydrophobicContact CE2-CE1 3.89Å; F655-F863 AromaticContact CE2-CE2 3.71Å; F655-F863 HydrophobicContact CE2-CE2 3.71Å; F655-F863 HydrophobicContact CE2-CG 4.06Å; F655-F863 AromaticContact CE2-CZ 3.71Å; F655-F863 HydrophobicContact CE2-CZ 3.71Å; F655-F863 HydrophobicContact CZ-CD2 4.2Å; F655-F863 AromaticContact CZ-CE2 3.95Å; F655-F863 HydrophobicContact CZ-CE2 3.95Å; F655-F863 HydrophobicContact CZ-CZ 4.31Å; F764-F863 HydrophobicContact CD2-CD2 4.45Å; F764-F863 HydrophobicContact CD2-CE2 4.2Å; F764-F863 HydrophobicContact CE2-CD2 4.23Å; F764-F863 AromaticContact CE2-CE2 3.55Å; F764-F863 HydrophobicContact CE2-CE2 3.55Å; F764-F863 HydrophobicContact CE2-CZ 4.04Å; F764-F863 HydrophobicContact CZ-CE2 4.01Å; A767-F863 HydrophobicContact CB-CB 3.8Å; A768-F863 HydrophobicContact CB-CD2 3.96Å; A768-F863 HydrophobicContact CB-CE2 3.91Å; L771-F863 HydrophobicContact CD1-CB 3.71Å; L771-F863 HydrophobicContact CD1-CD2 4.28Å; L771-F863 HydrophobicContact CD1-CG 4.02Å; F859-F863 WeakPolarHBondContact O-CB 3.39Å; F859-F863 PolarHBondContact O-N 3.35Å; H860-F863 PolarHBondContact O-N 2.89Å; F863-A866 PolarHBondContact O-N 3.49Å; F863-A867 HydrophobicContact CE1-CB 4.36Å; F863-A867 HydrophobicContact CZ-CB 4.45Å; F863-A867 WeakPolarHBondContact O-CB 3.42Å; F863-A867 PolarHBondContact O-N 3.46Å
864	I	98.5	Very high	95.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-46.6	-176.1	-69.5	174.6	0	0	0	110.9	L644 A647 R648 F651 F851 H860 M861 S868 A889	L644-I864 HydrophobicContact CD2-CG2 4.18Å; A647-I864 HydrophobicContact CB-CG2 4.06Å; A647-I864 WeakPolarHBondContact CB-O 3.48Å; R648-I864 HydrophobicContact CB-CD1 4.47Å; F651-I864 HydrophobicContact CB-CD1 4.34Å; F651-I864 HydrophobicContact CB-CG1 4.04Å; F651-I864 HydrophobicContact CD2-CG1 4.5Å; F651-I864 HydrophobicContact CG-CD1 4.4Å; F651-I864 HydrophobicContact CG-CG1 4.36Å; F851-I864 HydrophobicContact CD2-CD1 4.15Å; F851-I864 HydrophobicContact CE2-CD1 3.49Å; F851-I864 VanDerWaalsContact CE2-CD1 3.49Å; F851-I864 HydrophobicContact CZ-CD1 4.29Å; H860-I864 WeakPolarHBondContact O-CG1 3.29Å; H860-I864 PolarHBondContact O-N 3.42Å; H860-I864 VanDerWaalsContact O-N 3.08Å; M861-I864 HydrophobicContact CE-CB 4.42Å; M861-I864 HydrophobicContact CE-CG2 4.35Å; M861-I864 PolarHBondContact O-N 3.29Å; M861-I864 HydrophobicContact SD-CD1 4.41Å; I864-S868 WeakPolarHBondContact O-CB 3.4Å; I864-S868 PolarHBondContact O-N 3.24Å; I864-A889 HydrophobicContact CD1-CB 4.36Å; I864-A889 HydrophobicContact CG2-CB 3.62Å
865	T	98.2	Very high	96.5	Very high	13 Å²	13	18.8 Å²	18.8	8%	0.08	10%	0.103	C	C	.	.	H	α-helix	trans	-63	-49	179.4	-67.2	0	0	0	0	111	M861 S868 N869 S885	M861-T865 WeakPolarHBondContact O-CB 3.35Å; M861-T865 PolarHBondContact O-N 2.8Å; M861-T865 PolarHBondContact O-OG1 2.91Å; T865-S868 PolarHBondContact O-N 2.89Å; T865-N869 WeakPolarHBondContact O-CB 3.13Å; T865-N869 PolarHBondContact O-N 2.84Å; T865-S885 WeakPolarHBondContact OG1-CB 3.41Å; T865-S885 PolarHBondContact OG1-OG 3.49Å; T865-S885 VanDerWaalsContact OG1-OG 3.13Å
866	A	98.3	Very high	96.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-44.9	179.6	0	0	0	0	0	111.9	T760 E763 F764 D862 F863 S868 N869 L870	T760-A866 HydrophobicContact CG2-CB 4.45Å; E763-A866 HydrophobicContact CB-CB 4.22Å; F764-A866 HydrophobicContact CB-CB 3.93Å; D862-A866 VanDerWaalsContact O-CB 3.28Å; D862-A866 WeakPolarHBondContact O-CB 3.41Å; D862-A866 PolarHBondContact O-N 2.62Å; F863-A866 PolarHBondContact O-N 3.49Å; A866-S868 PolarHBondContact O-N 2.86Å; A866-N869 PolarHBondContact O-N 3.32Å; A866-L870 WeakPolarHBondContact O-CB 3.39Å; A866-L870 WeakPolarHBondContact O-CD1 3.24Å; A866-L870 VanDerWaalsContact O-CG 3.26Å; A866-L870 WeakPolarHBondContact O-CG 3.36Å; A866-L870 PolarHBondContact O-N 2.89Å
867	A	98.7	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.8	-42.3	178.1	0	0	0	0	0	112.3	W646 A647 L650 F718 F764 F863 R871	W646-A867 HydrophobicContact CZ3-CB 4.18Å; A647-A867 HydrophobicContact CB-CB 3.99Å; L650-A867 HydrophobicContact CD2-CB 4.47Å; F718-A867 HydrophobicContact CZ-CB 4.41Å; F764-A867 HydrophobicContact CD2-CB 3.92Å; F764-A867 HydrophobicContact CE2-CB 3.85Å; F863-A867 HydrophobicContact CE1-CB 4.36Å; F863-A867 HydrophobicContact CZ-CB 4.45Å; F863-A867 WeakPolarHBondContact O-CB 3.42Å; F863-A867 PolarHBondContact O-N 3.46Å; A867-R871 WeakPolarHBondContact O-CB 3.42Å; A867-R871 PolarHBondContact O-N 2.84Å; A867-R871 VanDerWaalsContact O-N 3.13Å
868	S	98.7	Very high	97.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-45.5	176.6	167.9	0	0	0	0	111.9	T643 L644 I864 T865 A866 R871 A872	T643-S868 WeakPolarHBondContact CB-O 3.29Å; T643-S868 PolarHBondContact OG1-O 2.89Å; T643-S868 PolarHBondContact OG1-OG 3.43Å; L644-S868 WeakPolarHBondContact CD2-OG 3.16Å; L644-S868 VanDerWaalsContact CG-OG 3.29Å; L644-S868 WeakPolarHBondContact CG-OG 3.4Å; L644-S868 PolarHBondContact N-OG 3.26Å; I864-S868 WeakPolarHBondContact O-CB 3.4Å; I864-S868 PolarHBondContact O-N 3.24Å; T865-S868 PolarHBondContact O-N 2.89Å; A866-S868 PolarHBondContact O-N 2.86Å; S868-R871 CarbonylContact O-C 3.59Å; S868-R871 PolarHBondContact O-N 2.77Å; S868-A872 WeakPolarHBondContact O-CB 3.5Å; S868-A872 PolarHBondContact O-N 2.93Å
869	N	98.6	Very high	97.3	Very high	24 Å²	24	23.6 Å²	23.6	13%	0.128	13%	0.128	C	C	.	.	H	α-helix	trans	-69.7	-38.2	-178.2	-74.8	-16.2	0	0	0	112.4	T760 T865 A866 R871 A872 E873 P879 A880	T760-N869 HydrophobicContact CG2-CB 4.02Å; T865-N869 WeakPolarHBondContact O-CB 3.13Å; T865-N869 PolarHBondContact O-N 2.84Å; A866-N869 PolarHBondContact O-N 3.32Å; N869-R871 VanDerWaalsContact C-N 3.33Å; N869-R871 PolarHBondContact O-N 2.96Å; N869-A872 WeakPolarHBondContact O-CB 3.41Å; N869-A872 PolarHBondContact O-N 2.95Å; N869-A872 VanDerWaalsContact O-N 3.14Å; N869-E873 PolarHBondContact O-N 2.63Å; N869-P879 HydrophobicContact CB-CB 4.24Å; N869-P879 WeakPolarHBondContact OD1-CA 3.3Å; N869-P879 WeakPolarHBondContact OD1-CB 3.29Å; N869-A880 PolarHBondContact ND2-O 3.38Å; N869-A880 PolarHBondContact OD1-N 2.69Å; N869-A880 PolarHBondContact OD1-O 3.07Å
870	L	98.8	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-43.2	171.4	-75.7	165.2	0	0	0	111.9	W714 F718 L752 T760 H761 F764 A866 A872 E873 N874	W714-L870 HydrophobicContact CZ2-CD2 4.31Å; F718-L870 HydrophobicContact CD1-CB 3.66Å; F718-L870 HydrophobicContact CD2-CB 4.25Å; F718-L870 HydrophobicContact CD2-CD1 3.99Å; F718-L870 HydrophobicContact CE1-CB 3.46Å; F718-L870 VanDerWaalsContact CE1-CB 3.46Å; F718-L870 HydrophobicContact CE1-CD1 4.39Å; F718-L870 HydrophobicContact CE2-CB 4.1Å; F718-L870 HydrophobicContact CE2-CD1 3.52Å; F718-L870 HydrophobicContact CE2-CG 4.4Å; F718-L870 HydrophobicContact CG-CB 4.05Å; F718-L870 HydrophobicContact CZ-CB 3.71Å; F718-L870 HydrophobicContact CZ-CD1 3.75Å; F718-L870 HydrophobicContact CZ-CG 4.38Å; L752-L870 HydrophobicContact CD1-CD2 4.02Å; T760-L870 HydrophobicContact CG2-CD2 4.47Å; T760-L870 HydrophobicContact CG2-CG 4.08Å; H761-L870 WeakPolarHBondContact CD2-CD2 3.49Å; F764-L870 HydrophobicContact CB-CD1 3.55Å; F764-L870 HydrophobicContact CD2-CD1 3.96Å; F764-L870 HydrophobicContact CG-CD1 3.77Å; A866-L870 WeakPolarHBondContact O-CB 3.39Å; A866-L870 WeakPolarHBondContact O-CD1 3.24Å; A866-L870 VanDerWaalsContact O-CG 3.26Å; A866-L870 WeakPolarHBondContact O-CG 3.36Å; A866-L870 PolarHBondContact O-N 2.89Å; L870-A872 VanDerWaalsContact C-N 3.32Å; L870-E873 WeakPolarHBondContact O-CB 3.26Å; L870-E873 PolarHBondContact O-N 2.79Å; L870-N874 PolarHBondContact O-N 3.29Å; L870-N874 PolarHBondContact O-OD1 2.89Å
871	R	98.6	Very high	96.9	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-70.5	-31.2	174.8	-170.5	171.8	-177	94.8	-6.1	112	L633 K634 T643 W646 F718 A867 S868 N869 E873 N874 Y875	L633-R871 PolarHBondContact O-NH2 3.05Å; K634-R871 PolarHBondContact O-NH2 3.08Å; T643-R871 HydrophobicContact CG2-CB 4.25Å; T643-R871 HydrophobicContact CG2-CG 4.02Å; W646-R871 VanDerWaalsContact CE2-CZ 3.49Å; W646-R871 VanDerWaalsContact CE2-NH1 3.25Å; W646-R871 HydrophobicContact CE3-CB 4.2Å; W646-R871 HydrophobicContact CE3-CG 4.33Å; W646-R871 VanDerWaalsContact CZ2-NH1 3.33Å; W646-R871 HydrophobicContact CZ3-CB 3.95Å; W646-R871 HydrophobicContact CZ3-CG 4.39Å; F718-R871 HydrophobicContact CE1-CB 4.22Å; A867-R871 WeakPolarHBondContact O-CB 3.42Å; A867-R871 PolarHBondContact O-N 2.84Å; A867-R871 VanDerWaalsContact O-N 3.13Å; S868-R871 CarbonylContact O-C 3.59Å; S868-R871 PolarHBondContact O-N 2.77Å; N869-R871 VanDerWaalsContact C-N 3.33Å; N869-R871 PolarHBondContact O-N 2.96Å; R871-E873 VanDerWaalsContact C-N 3.34Å; R871-N874 WeakPolarHBondContact O-CB 3.44Å; R871-N874 PolarHBondContact O-N 3.24Å; R871-Y875 HydrophobicContact CG-CD2 4.36Å; R871-Y875 HydrophobicContact CG-CE2 4.33Å; R871-Y875 WeakPolarHBondContact O-CD2 3.16Å
872	A	98.1	Very high	96.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-45.1	173.4	0	0	0	0	0	109.8	I640 T643 S868 N869 L870 N874 Y875 E876 I877	I640-A872 HydrophobicContact CD1-CB 3.85Å; T643-A872 HydrophobicContact CG2-CB 4.45Å; S868-A872 WeakPolarHBondContact O-CB 3.5Å; S868-A872 PolarHBondContact O-N 2.93Å; N869-A872 WeakPolarHBondContact O-CB 3.41Å; N869-A872 PolarHBondContact O-N 2.95Å; N869-A872 VanDerWaalsContact O-N 3.14Å; L870-A872 VanDerWaalsContact C-N 3.32Å; A872-N874 PolarHBondContact O-N 3.26Å; A872-Y875 CarbonylContact O-C 3.59Å; A872-Y875 PolarHBondContact O-N 3.1Å; A872-Y875 VanDerWaalsContact O-N 3.09Å; A872-E876 PolarHBondContact O-N 3.42Å; A872-I877 HydrophobicContact CB-CB 3.93Å; A872-I877 HydrophobicContact CB-CG2 4.27Å; A872-I877 WeakPolarHBondContact CB-O 3.31Å; A872-I877 PolarHBondContact O-N 3.42Å
873	E	98.1	Very high	96.2	Very high	80 Å²	80	30.3 Å²	30.3	37%	0.374	16%	0.16	S	C	.	.	H	α-helix	trans	-58.2	-44.6	174.4	-170	-173.2	159	0	0	112	H750 L752 N869 L870 R871 Y875 E876	H750-E873 PolarHBondContact CE1-O 3.4Å; H750-E873 PolarHBondContact NE2-O 2.99Å; H750-E873 VanDerWaalsContact NE2-O 3.1Å; L752-E873 HydrophobicContact CD1-CB 4.3Å; L752-E873 HydrophobicContact CD1-CG 4.4Å; L752-E873 HydrophobicContact CD2-CB 4.49Å; L752-E873 HydrophobicContact CD2-CG 3.92Å; L752-E873 WeakPolarHBondContact CD2-OE1 3.41Å; N869-E873 PolarHBondContact O-N 2.63Å; L870-E873 WeakPolarHBondContact O-CB 3.26Å; L870-E873 PolarHBondContact O-N 2.79Å; R871-E873 VanDerWaalsContact C-N 3.34Å; E873-Y875 PolarHBondContact O-N 3.5Å; E873-E876 PolarHBondContact O-N 3.06Å; E873-E876 VanDerWaalsContact O-N 3.09Å
874	N	98.4	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-50.4	-34.5	175.8	-82.8	136.1	0	0	0	113.5	F718 I722 P749 H750 L752 L870 R871 A872	F718-N874 WeakPolarHBondContact CD1-OD1 3.42Å; F718-N874 PolarHBondContact O-ND2 3.34Å; I722-N874 HydrophobicContact CD1-CB 4.32Å; P749-N874 CarbonylContact C-O 3.57Å; P749-N874 WeakPolarHBondContact CA-O 3.37Å; P749-N874 WeakPolarHBondContact CB-O 3.48Å; H750-N874 PolarHBondContact N-O 3.46Å; H750-N874 PolarHBondContact O-ND2 3.06Å; L752-N874 WeakPolarHBondContact CG-ND2 3.18Å; L870-N874 PolarHBondContact O-N 3.29Å; L870-N874 PolarHBondContact O-OD1 2.89Å; R871-N874 WeakPolarHBondContact O-CB 3.44Å; R871-N874 PolarHBondContact O-N 3.24Å; A872-N874 PolarHBondContact O-N 3.26Å
875	Y	97.1	Very high	95.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	14.5	-174.1	-70	-97.4	0	0	0	112.7	N635 P637 I722 L725 R747 P749 R871 A872 E873 I877	N635-Y875 WeakPolarHBondContact O-CE1 3.22Å; N635-Y875 PolarHBondContact O-OH 2.99Å; P637-Y875 HydrophobicContact CG-CD1 3.99Å; P637-Y875 HydrophobicContact CG-CD2 3.61Å; P637-Y875 HydrophobicContact CG-CE1 4.04Å; P637-Y875 HydrophobicContact CG-CE2 3.67Å; P637-Y875 HydrophobicContact CG-CG 3.78Å; I722-Y875 HydrophobicContact CD1-CE2 3.96Å; L725-Y875 WeakPolarHBondContact CD2-OH 3.36Å; R747-Y875 HydrophobicContact CB-CD1 4.37Å; R747-Y875 WeakPolarHBondContact CD-O 3.4Å; R747-Y875 PolarHBondContact NE-O 3.37Å; R747-Y875 WeakPolarHBondContact O-CD1 3.4Å; P749-Y875 HydrophobicContact CB-CD1 3.89Å; P749-Y875 HydrophobicContact CB-CD2 4.32Å; P749-Y875 HydrophobicContact CB-CE1 3.7Å; P749-Y875 HydrophobicContact CB-CE2 4.17Å; P749-Y875 HydrophobicContact CB-CG 4.2Å; P749-Y875 HydrophobicContact CG-CD1 4.48Å; P749-Y875 HydrophobicContact CG-CE1 3.95Å; R871-Y875 HydrophobicContact CG-CD2 4.36Å; R871-Y875 HydrophobicContact CG-CE2 4.33Å; R871-Y875 WeakPolarHBondContact O-CD2 3.16Å; A872-Y875 CarbonylContact O-C 3.59Å; A872-Y875 PolarHBondContact O-N 3.1Å; A872-Y875 VanDerWaalsContact O-N 3.09Å; E873-Y875 PolarHBondContact O-N 3.5Å; Y875-I877 PolarHBondContact O-N 3.04Å
876	E	94.2	Very high	95.5	Very high	113 Å²	113	34.8 Å²	34.8	53%	0.528	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	30.4	-176.9	-55.1	179.2	171.7	0	0	113.5	R747 A872 E873	R747-E876 PolarHBondContact NH2-O 3.17Å; A872-E876 PolarHBondContact O-N 3.42Å; E873-E876 PolarHBondContact O-N 3.06Å; E873-E876 VanDerWaalsContact O-N 3.09Å
877	I	94	Very high	95.2	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.046	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-85.7	136.6	178.5	-60.8	167.1	0	0	0	108.9	P637 I640 T643 A872 Y875	P637-I877 HydrophobicContact CB-CD1 4.07Å; P637-I877 HydrophobicContact CG-CD1 4.45Å; I640-I877 HydrophobicContact CB-CG2 4.25Å; T643-I877 HydrophobicContact CG2-CD1 3.94Å; A872-I877 HydrophobicContact CB-CB 3.93Å; A872-I877 HydrophobicContact CB-CG2 4.27Å; A872-I877 WeakPolarHBondContact CB-O 3.31Å; A872-I877 PolarHBondContact O-N 3.42Å; Y875-I877 PolarHBondContact O-N 3.04Å
878	P	92.5	Very high	94.9	Very high	79 Å²	79	39.1 Å²	39.1	51%	0.513	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-57.4	129.4	174.5	-25.4	34.5	0	0	0	112
879	P	95.9	Very high	94.6	Very high	97 Å²	97	39.2 Å²	39.2	63%	0.63	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-68.4	159.3	-178.1	29	-35.3	0	0	0	111.9	N869	N869-P879 HydrophobicContact CB-CB 4.24Å; N869-P879 WeakPolarHBondContact OD1-CA 3.3Å; N869-P879 WeakPolarHBondContact OD1-CB 3.29Å
880	A	94.8	Very high	94.2	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.041	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-103.5	146.2	169.3	0	0	0	0	0	111	I640 L644 N869 K884	I640-A880 HydrophobicContact CD1-CB 4.12Å; I640-A880 HydrophobicContact CG1-CB 3.55Å; L644-A880 HydrophobicContact CD1-CB 4.39Å; N869-A880 PolarHBondContact ND2-O 3.38Å; N869-A880 PolarHBondContact OD1-N 2.69Å; N869-A880 PolarHBondContact OD1-O 3.07Å; A880-K884 HydrophobicContact CB-CB 4.18Å; A880-K884 HydrophobicContact CB-CD 4.09Å; A880-K884 HydrophobicContact CB-CG 4.16Å
881	D	92.1	Very high	93.8	Very high	102 Å²	102	44.8 Å²	44.8	55%	0.545	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-69.9	170.7	165.1	65.9	23.5	0	0	0	111.4	L883 K884 S885	D881-L883 VanDerWaalsContact C-N 3.28Å; D881-L883 PolarHBondContact O-N 2.84Å; D881-L883 PolarHBondContact OD1-N 3.08Å; D881-K884 VanDerWaalsContact OD1-CB 3.22Å; D881-K884 WeakPolarHBondContact OD1-CB 3.42Å; D881-K884 PolarHBondContact OD1-N 3.28Å; D881-S885 VanDerWaalsContact O-CB 3.27Å; D881-S885 WeakPolarHBondContact O-CB 3.47Å; D881-S885 PolarHBondContact O-N 3.09Å; D881-S885 PolarHBondContact O-OG 3.05Å
882	R	90.4	Very high	93.4	Very high	77 Å²	77	44.9 Å²	44.9	29%	0.291	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-35	-179.6	-167.2	171.1	-174.9	-98.6	-0.6	112.1	D856 D862 S885 K886	D856-R882 VanDerWaalsContact CG-NH1 3.3Å; D856-R882 IonicContact OD1-CZ 3.28Å; D856-R882 VanDerWaalsContact OD1-CZ 3.28Å; D856-R882 IonicContact OD1-NH1 3.76Å; D856-R882 PolarHBondContact OD1-NH1 3.02Å; D856-R882 IonicContact OD1-NH2 2.7Å; D856-R882 PolarHBondContact OD1-NH2 3.42Å; D856-R882 IonicContact OD2-NH1 3.64Å; D862-R882 IonicContact OD1-CZ 3.27Å; D862-R882 IonicContact OD1-NE 3.03Å; D862-R882 PolarHBondContact OD1-NE 3.44Å; D862-R882 IonicContact OD1-NH2 3.67Å; D862-R882 PolarHBondContact OD1-NH2 2.87Å; R882-S885 PolarHBondContact O-N 3.27Å; R882-K886 WeakPolarHBondContact O-CB 3.38Å; R882-K886 PolarHBondContact O-N 3.47Å
883	L	88.2	Confident	93.1	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.141	25%	0.248	C	C	.	.	H	α-helix	trans	-66.9	-48	-178.8	-178.4	66	0	0	0	111.7	Y54 P58 D881 K886 L887	Y54-L883 HydrophobicContact CE1-CD1 3.8Å; Y54-L883 HydrophobicContact CE1-CG 3.9Å; Y54-L883 WeakPolarHBondContact CE1-O 3.46Å; Y54-L883 PolarHBondContact OH-O 3.4Å; P58-L883 HydrophobicContact CG-CD2 4.42Å; D881-L883 VanDerWaalsContact C-N 3.28Å; D881-L883 PolarHBondContact O-N 2.84Å; D881-L883 PolarHBondContact OD1-N 3.08Å; L883-K886 PolarHBondContact O-N 3.42Å; L883-L887 PolarHBondContact O-N 3.22Å; L883-L887 VanDerWaalsContact O-N 3.09Å
884	K	90.8	Very high	92.9	Very high	90 Å²	90	46.1 Å²	46.1	39%	0.391	24%	0.239	S	C	.	.	H	α-helix	trans	-66.7	-40	174.6	-177.8	174.9	179.5	-176.8	0	111.1	E641 A880 D881 K886 L887 I888	E641-K884 IonicContact OE1-NZ 2.74Å; A880-K884 HydrophobicContact CB-CB 4.18Å; A880-K884 HydrophobicContact CB-CD 4.09Å; A880-K884 HydrophobicContact CB-CG 4.16Å; D881-K884 VanDerWaalsContact OD1-CB 3.22Å; D881-K884 WeakPolarHBondContact OD1-CB 3.42Å; D881-K884 PolarHBondContact OD1-N 3.28Å; K884-K886 VanDerWaalsContact C-N 3.34Å; K884-K886 PolarHBondContact O-N 3.36Å; K884-L887 WeakPolarHBondContact O-CB 3.44Å; K884-L887 PolarHBondContact O-N 2.87Å; K884-I888 HydrophobicContact CG-CD1 3.89Å; K884-I888 PolarHBondContact O-N 2.78Å
885	S	95.7	Very high	92.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-46.7	174.7	-60.8	0	0	0	0	111.5	T865 D881 R882 L887 I888 A889	T865-S885 WeakPolarHBondContact OG1-CB 3.41Å; T865-S885 PolarHBondContact OG1-OG 3.49Å; T865-S885 VanDerWaalsContact OG1-OG 3.13Å; D881-S885 VanDerWaalsContact O-CB 3.27Å; D881-S885 WeakPolarHBondContact O-CB 3.47Å; D881-S885 PolarHBondContact O-N 3.09Å; D881-S885 PolarHBondContact O-OG 3.05Å; R882-S885 PolarHBondContact O-N 3.27Å; S885-L887 VanDerWaalsContact C-N 3.35Å; S885-L887 PolarHBondContact O-N 3.14Å; S885-I888 PolarHBondContact O-N 3.27Å; S885-A889 VanDerWaalsContact O-CB 3.27Å; S885-A889 WeakPolarHBondContact O-CB 3.37Å; S885-A889 PolarHBondContact O-N 3.31Å
886	K	93.7	Very high	92.7	Very high	17 Å²	17	46.4 Å²	46.4	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-37.9	179.3	-179.2	163.6	172.1	164.5	0	112.2	K853 D854 D856 M861 R882 L883 K884 G890 I892	K853-K886 WeakPolarHBondContact O-CE 3.13Å; K853-K886 PolarHBondContact O-NZ 3.46Å; D854-K886 WeakPolarHBondContact OD1-CE 3.41Å; D854-K886 IonicContact OD1-NZ 2.79Å; D856-K886 IonicContact OD1-NZ 2.98Å; M861-K886 HydrophobicContact CE-CB 3.83Å; M861-K886 HydrophobicContact CG-CB 4.5Å; M861-K886 HydrophobicContact CG-CD 4.4Å; M861-K886 HydrophobicContact CG-CG 4.39Å; M861-K886 HydrophobicContact SD-CB 4.25Å; M861-K886 HydrophobicContact SD-CG 4.36Å; R882-K886 WeakPolarHBondContact O-CB 3.38Å; R882-K886 PolarHBondContact O-N 3.47Å; L883-K886 PolarHBondContact O-N 3.42Å; K884-K886 VanDerWaalsContact C-N 3.34Å; K884-K886 PolarHBondContact O-N 3.36Å; K886-G890 VanDerWaalsContact O-CA 3.29Å; K886-G890 WeakPolarHBondContact O-CA 3.33Å; K886-G890 PolarHBondContact O-N 3.32Å; K886-I892 HydrophobicContact CD-CD1 4.49Å; K886-I892 HydrophobicContact CG-CD1 3.56Å; K886-I892 VanDerWaalsContact O-CD1 3.26Å; K886-I892 WeakPolarHBondContact O-CD1 3.3Å
887	L	91.3	Very high	92.9	Very high	52 Å²	52	41.1 Å²	41.1	27%	0.272	22%	0.217	S	C	.	.	H	α-helix	trans	-56.3	-55.2	173.8	178.2	56.5	0	0	0	111.6	Y54 L883 K884 S885 K891 I892	Y54-L887 HydrophobicContact CD1-CB 4.05Å; Y54-L887 HydrophobicContact CD1-CD1 3.87Å; Y54-L887 HydrophobicContact CD1-CD2 3.74Å; Y54-L887 HydrophobicContact CD1-CG 4.09Å; Y54-L887 HydrophobicContact CD2-CD1 3.77Å; Y54-L887 HydrophobicContact CE1-CB 3.52Å; Y54-L887 HydrophobicContact CE1-CD1 4.1Å; Y54-L887 HydrophobicContact CE1-CD2 4.06Å; Y54-L887 HydrophobicContact CE1-CG 4.09Å; Y54-L887 HydrophobicContact CE2-CB 4.34Å; Y54-L887 HydrophobicContact CE2-CD1 4Å; Y54-L887 HydrophobicContact CG-CD1 3.7Å; Y54-L887 HydrophobicContact CG-CD2 4.29Å; Y54-L887 HydrophobicContact CG-CG 4.42Å; Y54-L887 PolarHBondContact OH-N 3.32Å; L883-L887 PolarHBondContact O-N 3.22Å; L883-L887 VanDerWaalsContact O-N 3.09Å; K884-L887 WeakPolarHBondContact O-CB 3.44Å; K884-L887 PolarHBondContact O-N 2.87Å; S885-L887 VanDerWaalsContact C-N 3.35Å; S885-L887 PolarHBondContact O-N 3.14Å; L887-K891 PolarHBondContact O-N 3.45Å; L887-I892 HydrophobicContact CD1-CB 4.04Å; L887-I892 HydrophobicContact CD1-CG2 4.35Å; L887-I892 VanDerWaalsContact CD1-O 3.3Å; L887-I892 WeakPolarHBondContact CD1-O 3.43Å; L887-I892 PolarHBondContact O-N 3.07Å
888	I	91.9	Very high	93.1	Very high	39 Å²	39	40.8 Å²	40.8	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-75.7	-55.2	-170.4	-63.3	162.9	0	0	0	110	E641 L644 K884 S885 G890 K891	E641-I888 HydrophobicContact CG-CD1 4.04Å; E641-I888 HydrophobicContact CG-CG2 4.49Å; L644-I888 HydrophobicContact CB-CG2 4.02Å; L644-I888 HydrophobicContact CD1-CB 3.89Å; L644-I888 HydrophobicContact CD1-CD1 3.51Å; L644-I888 HydrophobicContact CD1-CG1 4.28Å; L644-I888 HydrophobicContact CD1-CG2 4.04Å; K884-I888 HydrophobicContact CG-CD1 3.89Å; K884-I888 PolarHBondContact O-N 2.78Å; S885-I888 PolarHBondContact O-N 3.27Å; I888-G890 VanDerWaalsContact C-N 3.31Å; I888-G890 PolarHBondContact O-N 3.01Å; I888-K891 PolarHBondContact O-N 2.99Å; I888-K891 VanDerWaalsContact O-N 3.12Å
889	A	93.1	Very high	93.4	Very high	3 Å²	3	37 Å²	37	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-71.4	-26.7	-175.8	0	0	0	0	0	113.3	R648 M861 I864 S885 K891	R648-A889 HydrophobicContact CB-CB 4.48Å; R648-A889 PolarHBondContact NH1-O 2.93Å; M861-A889 HydrophobicContact CE-CB 4.44Å; I864-A889 HydrophobicContact CD1-CB 4.36Å; I864-A889 HydrophobicContact CG2-CB 3.62Å; S885-A889 VanDerWaalsContact O-CB 3.27Å; S885-A889 WeakPolarHBondContact O-CB 3.37Å; S885-A889 PolarHBondContact O-N 3.31Å; A889-K891 VanDerWaalsContact C-N 3.3Å
890	G	91.3	Very high	93.5	Very high	11 Å²	11	32.4 Å²	32.4	11%	0.113	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.1	174	0	0	0	0	0	114	K853 K886 I888 I892	K853-G890 WeakPolarHBondContact CD-O 3.37Å; K886-G890 VanDerWaalsContact O-CA 3.29Å; K886-G890 WeakPolarHBondContact O-CA 3.33Å; K886-G890 PolarHBondContact O-N 3.32Å; I888-G890 VanDerWaalsContact C-N 3.31Å; I888-G890 PolarHBondContact O-N 3.01Å; G890-I892 PolarHBondContact O-N 3.13Å; G890-I892 VanDerWaalsContact O-N 3.17Å
891	K	89.8	Confident	93.7	Very high	129 Å²	129	32.1 Å²	32.1	56%	0.561	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.8	44.7	-170.6	-66.5	-167.5	171.5	-160.3	0	112	E625 L887 I888 A889 I893	E625-K891 IonicContact OE2-NZ 3.76Å; E625-K891 PolarHBondContact OE2-NZ 3.15Å; L887-K891 PolarHBondContact O-N 3.45Å; I888-K891 PolarHBondContact O-N 2.99Å; I888-K891 VanDerWaalsContact O-N 3.12Å; A889-K891 VanDerWaalsContact C-N 3.3Å; K891-I893 PolarHBondContact O-N 3.36Å
892	I	90.1	Very high	94	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.051	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-72.9	123.4	-173.1	-70	170.9	0	0	0	109.3	R51 Y54 K853 K886 L887 G890 P894	R51-I892 VanDerWaalsContact NH1-CD1 3.27Å; Y54-I892 HydrophobicContact CD2-CG2 3.72Å; Y54-I892 HydrophobicContact CE2-CB 4.16Å; Y54-I892 HydrophobicContact CE2-CD1 3.94Å; Y54-I892 HydrophobicContact CE2-CG2 3.6Å; K853-I892 HydrophobicContact CD-CD1 4.45Å; K853-I892 HydrophobicContact CD-CG1 4.03Å; K886-I892 HydrophobicContact CD-CD1 4.49Å; K886-I892 HydrophobicContact CG-CD1 3.56Å; K886-I892 VanDerWaalsContact O-CD1 3.26Å; K886-I892 WeakPolarHBondContact O-CD1 3.3Å; L887-I892 HydrophobicContact CD1-CB 4.04Å; L887-I892 HydrophobicContact CD1-CG2 4.35Å; L887-I892 VanDerWaalsContact CD1-O 3.3Å; L887-I892 WeakPolarHBondContact CD1-O 3.43Å; L887-I892 PolarHBondContact O-N 3.07Å; G890-I892 PolarHBondContact O-N 3.13Å; G890-I892 VanDerWaalsContact O-N 3.17Å; I892-P894 VanDerWaalsContact O-CD 3.29Å; I892-P894 WeakPolarHBondContact O-CD 3.45Å
893	I	90.8	Very high	94.4	Very high	79 Å²	79	23.6 Å²	23.6	41%	0.405	12%	0.119	S	C	.	.	P	Polyproline II helix	trans	-80.7	116.5	171.7	-58.8	176.5	0	0	0	108.7	L600 K891	L600-I893 HydrophobicContact CD1-CG2 3.78Å; K891-I893 PolarHBondContact O-N 3.36Å
894	P	93.8	Very high	94.9	Very high	27 Å²	27	22.3 Å²	22.3	18%	0.175	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-57.7	138.6	171.3	-23	34.1	0	0	0	110.6	V55 G601 I892	V55-P894 HydrophobicContact CG2-CB 3.78Å; G601-P894 PolarHBondContact N-O 3.31Å; I892-P894 VanDerWaalsContact O-CD 3.29Å; I892-P894 WeakPolarHBondContact O-CD 3.45Å
895	A	95.7	Very high	95.3	Very high	7 Å²	7	18 Å²	18	6%	0.058	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-155.8	150.1	-176.9	0	0	0	0	0	111.4	R51	R51-A895 CarbonylContact C-O 3.55Å; R51-A895 HydrophobicContact CB-CB 4.32Å; R51-A895 PolarHBondContact O-N 2.77Å
896	I	97.2	Very high	95.4	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.095	C	C	.	.			trans	-146.8	147.7	179.7	-168	166.7	0	0	0	111.2	Q52 Y56 M406 G601 T898 T899 T900	Q52-I896 HydrophobicContact CG-CD1 3.87Å; Q52-I896 HydrophobicContact CG-CG1 4.13Å; Y56-I896 HydrophobicContact CD2-CD1 3.88Å; Y56-I896 HydrophobicContact CE2-CD1 3.45Å; Y56-I896 VanDerWaalsContact CE2-CD1 3.45Å; M406-I896 HydrophobicContact CE-CD1 3.41Å; M406-I896 VanDerWaalsContact CE-CD1 3.41Å; M406-I896 HydrophobicContact CE-CG1 4.32Å; M406-I896 HydrophobicContact SD-CD1 3.84Å; G601-I896 WeakPolarHBondContact O-CG2 3.36Å; I896-T898 VanDerWaalsContact C-N 3.28Å; I896-T898 WeakPolarHBondContact CG2-OG1 3.44Å; I896-T898 PolarHBondContact O-N 3.1Å; I896-T899 VanDerWaalsContact CG2-OG1 3.31Å; I896-T899 WeakPolarHBondContact CG2-OG1 3.42Å; I896-T899 PolarHBondContact O-N 3.31Å; I896-T900 PolarHBondContact O-N 3.05Å; I896-T900 PolarHBondContact O-OG1 3.36Å; I896-T900 VanDerWaalsContact O-OG1 3.11Å
897	A	98.2	Very high	95.7	Very high	2 Å²	2	17.5 Å²	17.5	2%	0.017	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-32.9	-174.2	0	0	0	0	0	114.2	N84 L87 R514 T900 S901	N84-A897 WeakPolarHBondContact OD1-CB 3.17Å; N84-A897 PolarHBondContact OD1-O 3.24Å; L87-A897 HydrophobicContact CB-CB 4.35Å; L87-A897 HydrophobicContact CD1-CB 3.87Å; R514-A897 HydrophobicContact CB-CB 4.16Å; A897-T900 PolarHBondContact O-N 3.28Å; A897-S901 WeakPolarHBondContact O-CB 3.39Å; A897-S901 PolarHBondContact O-N 3.21Å
898	T	98.5	Very high	96	Very high	1 Å²	1	15 Å²	15	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-62.9	-55	-179.7	43.2	0	0	0	0	112	N84 S399 A402 Q403 M406 I896 T900 S901 L902	N84-T898 HydrophobicContact CB-CG2 3.89Å; S399-T898 VanDerWaalsContact CB-O 3.24Å; S399-T898 WeakPolarHBondContact CB-O 3.37Å; A402-T898 HydrophobicContact CB-CG2 3.85Å; Q403-T898 HydrophobicContact CB-CG2 4.36Å; Q403-T898 PolarHBondContact OE1-OG1 3.48Å; M406-T898 HydrophobicContact CE-CG2 3.48Å; M406-T898 VanDerWaalsContact CE-CG2 3.48Å; I896-T898 VanDerWaalsContact C-N 3.28Å; I896-T898 WeakPolarHBondContact CG2-OG1 3.44Å; I896-T898 PolarHBondContact O-N 3.1Å; T898-T900 VanDerWaalsContact C-N 3.27Å; T898-T900 PolarHBondContact O-N 3.23Å; T898-S901 PolarHBondContact O-N 3.49Å; T898-L902 WeakPolarHBondContact O-CB 3.39Å; T898-L902 PolarHBondContact O-N 3.27Å
899	T	98.6	Very high	96.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60	-41.6	178.3	-42.4	0	0	0	0	111.1	T599 G601 T602 K603 I896 L902 V903	T599-T899 HydrophobicContact CG2-CG2 4.06Å; G601-T899 WeakPolarHBondContact O-CB 3.45Å; G601-T899 PolarHBondContact O-OG1 3.07Å; T602-T899 WeakPolarHBondContact CA-OG1 3.43Å; K603-T899 WeakPolarHBondContact O-CG2 3.3Å; I896-T899 VanDerWaalsContact CG2-OG1 3.31Å; I896-T899 WeakPolarHBondContact CG2-OG1 3.42Å; I896-T899 PolarHBondContact O-N 3.31Å; T899-L902 PolarHBondContact O-N 2.92Å; T899-V903 HydrophobicContact CG2-CG2 4.47Å; T899-V903 WeakPolarHBondContact O-CB 3.36Å; T899-V903 VanDerWaalsContact O-CG2 3.3Å; T899-V903 WeakPolarHBondContact O-CG2 3.45Å; T899-V903 PolarHBondContact O-N 3.19Å
900	T	98.3	Very high	96.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61	-50.5	178.6	-57.7	0	0	0	0	112.5	A477 I478 E481 I896 A897 T898 L902 V903 A904	A477-T900 HydrophobicContact CB-CG2 3.59Å; A477-T900 VanDerWaalsContact O-CG2 3.25Å; A477-T900 WeakPolarHBondContact O-CG2 3.34Å; I478-T900 HydrophobicContact CB-CG2 4.45Å; I478-T900 HydrophobicContact CG1-CG2 3.97Å; I478-T900 VanDerWaalsContact N-CG2 3.34Å; E481-T900 HydrophobicContact CG-CG2 3.87Å; I896-T900 PolarHBondContact O-N 3.05Å; I896-T900 PolarHBondContact O-OG1 3.36Å; I896-T900 VanDerWaalsContact O-OG1 3.11Å; A897-T900 PolarHBondContact O-N 3.28Å; T898-T900 VanDerWaalsContact C-N 3.27Å; T898-T900 PolarHBondContact O-N 3.23Å; T900-L902 VanDerWaalsContact C-N 3.34Å; T900-V903 PolarHBondContact O-N 2.7Å; T900-A904 WeakPolarHBondContact O-CB 3.2Å; T900-A904 PolarHBondContact O-N 2.67Å
901	S	98.6	Very high	97	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.2	-37.4	-179.6	177.3	0	0	0	0	111.7	E80 S399 K484 A897 T898 A904 G905	E80-S901 WeakPolarHBondContact OE1-CB 3.39Å; E80-S901 PolarHBondContact OE1-OG 3.1Å; S399-S901 WeakPolarHBondContact OG-CB 3.48Å; S399-S901 PolarHBondContact OG-OG 2.84Å; S399-S901 VanDerWaalsContact OG-OG 3.14Å; K484-S901 PolarHBondContact NZ-OG 3.37Å; A897-S901 WeakPolarHBondContact O-CB 3.39Å; A897-S901 PolarHBondContact O-N 3.21Å; T898-S901 PolarHBondContact O-N 3.49Å; S901-A904 PolarHBondContact O-N 3.49Å; S901-G905 PolarHBondContact O-N 2.94Å
902	L	98.6	Very high	97.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.2	-53.4	174.4	-172.7	160.6	0	0	0	111.2	F396 S399 F400 T898 T899 T900 A904 G905 L906 V929 L931	F396-L902 HydrophobicContact CD2-CD1 4.04Å; F396-L902 HydrophobicContact CD2-CD2 3.59Å; F396-L902 HydrophobicContact CD2-CG 3.54Å; F396-L902 HydrophobicContact CE2-CD1 4.1Å; F396-L902 HydrophobicContact CE2-CD2 3.88Å; F396-L902 HydrophobicContact CE2-CG 4.04Å; F396-L902 HydrophobicContact CG-CG 4.35Å; S399-L902 PolarHBondContact OG-N 3.49Å; F400-L902 HydrophobicContact CD2-CD1 4.47Å; T898-L902 WeakPolarHBondContact O-CB 3.39Å; T898-L902 PolarHBondContact O-N 3.27Å; T899-L902 PolarHBondContact O-N 2.92Å; T900-L902 VanDerWaalsContact C-N 3.34Å; L902-A904 PolarHBondContact O-N 3.44Å; L902-G905 WeakPolarHBondContact O-CA 3.37Å; L902-G905 PolarHBondContact O-N 3.44Å; L902-G905 VanDerWaalsContact O-N 3.14Å; L902-L906 HydrophobicContact CD2-CD1 3.64Å; L902-L906 HydrophobicContact CD2-CG 4.08Å; L902-L906 PolarHBondContact O-N 3.24Å; L902-V929 HydrophobicContact CD2-CB 4.43Å; L902-V929 HydrophobicContact CD2-CG1 3.93Å; L902-V929 HydrophobicContact CD2-CG2 4.01Å; L902-L931 HydrophobicContact CD1-CD1 3.96Å; L902-L931 HydrophobicContact CD1-CD2 3.71Å; L902-L931 HydrophobicContact CD1-CG 4.17Å
903	V	98.6	Very high	97.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.3	-43	-178.1	166.9	0	0	0	0	111.4	S597 T599 V606 T899 T900 G905 L906 V907 V929	S597-V903 VanDerWaalsContact CB-CG1 3.46Å; T599-V903 HydrophobicContact CG2-CB 4.31Å; T599-V903 HydrophobicContact CG2-CG2 4.1Å; V606-V903 HydrophobicContact CG2-CG1 3.83Å; T899-V903 HydrophobicContact CG2-CG2 4.47Å; T899-V903 WeakPolarHBondContact O-CB 3.36Å; T899-V903 VanDerWaalsContact O-CG2 3.3Å; T899-V903 WeakPolarHBondContact O-CG2 3.45Å; T899-V903 PolarHBondContact O-N 3.19Å; T900-V903 PolarHBondContact O-N 2.7Å; V903-G905 VanDerWaalsContact C-N 3.29Å; V903-G905 PolarHBondContact O-N 3.33Å; V903-L906 PolarHBondContact O-N 3.3Å; V903-L906 VanDerWaalsContact O-N 3.15Å; V903-V907 WeakPolarHBondContact O-CG2 3.31Å; V903-V907 PolarHBondContact O-N 3.49Å; V903-V929 HydrophobicContact CG2-CG2 4.32Å
904	A	98.7	Very high	98	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62.1	-36.1	175.2	0	0	0	0	0	112.6	E481 L482 T900 S901 L902 V907 C908	E481-A904 HydrophobicContact CB-CB 3.46Å; E481-A904 VanDerWaalsContact CB-CB 3.46Å; L482-A904 HydrophobicContact CD2-CB 4.12Å; L482-A904 HydrophobicContact CG-CB 4.34Å; T900-A904 WeakPolarHBondContact O-CB 3.2Å; T900-A904 PolarHBondContact O-N 2.67Å; S901-A904 PolarHBondContact O-N 3.49Å; L902-A904 PolarHBondContact O-N 3.44Å; A904-V907 PolarHBondContact O-N 3.5Å; A904-C908 PolarHBondContact O-N 3.17Å; A904-C908 VanDerWaalsContact O-N 3.14Å; A904-C908 PolarHBondContact O-SG 3.43Å
905	G	98.6	Very high	98.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-59.9	-48.9	171.1	0	0	0	0	0	111.9	P392 S901 L902 V903 V907 C908 L909	P392-G905 WeakPolarHBondContact CB-O 3.44Å; S901-G905 PolarHBondContact O-N 2.94Å; L902-G905 WeakPolarHBondContact O-CA 3.37Å; L902-G905 PolarHBondContact O-N 3.44Å; L902-G905 VanDerWaalsContact O-N 3.14Å; V903-G905 VanDerWaalsContact C-N 3.29Å; V903-G905 PolarHBondContact O-N 3.33Å; G905-V907 PolarHBondContact O-N 3.14Å; G905-C908 PolarHBondContact O-N 2.92Å; G905-C908 VanDerWaalsContact O-N 3.16Å; G905-L909 PolarHBondContact O-N 2.88Å; G905-L909 VanDerWaalsContact O-N 3.16Å
906	L	98.8	Very high	97.9	Very high	6 Å²	6	4.9 Å²	4.9	3%	0.031	3%	0.025	C	C	.	.	H	α-helix	trans	-61.8	-41.3	177.9	-67.5	-177.8	0	0	0	112.6	F396 F422 V606 L902 V903 C908 L909 E910 A927 V929 F938	F396-L906 HydrophobicContact CD2-CD1 4.14Å; F396-L906 HydrophobicContact CD2-CD2 3.56Å; F396-L906 HydrophobicContact CD2-CG 3.86Å; F396-L906 HydrophobicContact CE2-CD1 4.29Å; F396-L906 HydrophobicContact CE2-CD2 4.07Å; F396-L906 HydrophobicContact CE2-CG 4.45Å; F396-L906 HydrophobicContact CG-CD2 4.21Å; F422-L906 HydrophobicContact CZ-CD2 4.29Å; V606-L906 HydrophobicContact CG2-CB 3.76Å; L902-L906 HydrophobicContact CD2-CD1 3.64Å; L902-L906 HydrophobicContact CD2-CG 4.08Å; L902-L906 PolarHBondContact O-N 3.24Å; V903-L906 PolarHBondContact O-N 3.3Å; V903-L906 VanDerWaalsContact O-N 3.15Å; L906-C908 VanDerWaalsContact C-N 3.29Å; L906-C908 PolarHBondContact O-N 3.42Å; L906-L909 HydrophobicContact CD2-CD1 3.98Å; L906-L909 WeakPolarHBondContact O-CB 3.45Å; L906-L909 PolarHBondContact O-N 2.9Å; L906-L909 VanDerWaalsContact O-N 3.15Å; L906-E910 PolarHBondContact O-N 2.8Å; L906-A927 HydrophobicContact CD1-CB 3.87Å; L906-V929 HydrophobicContact CD1-CG1 4.12Å; L906-F938 HydrophobicContact CD1-CE1 4.02Å; L906-F938 HydrophobicContact CD1-CZ 4.32Å; L906-F938 HydrophobicContact CD2-CE1 3.78Å; L906-F938 HydrophobicContact CD2-CZ 4.05Å
907	V	98.8	Very high	97.6	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-55.2	-45	173.1	166.7	0	0	0	0	111.7	L482 L595 V606 V903 A904 G905 L909 E910 L911	L482-V907 HydrophobicContact CD2-CB 4.08Å; L482-V907 HydrophobicContact CD2-CG1 3.68Å; L595-V907 HydrophobicContact CB-CG1 3.8Å; L595-V907 HydrophobicContact CD1-CG1 3.96Å; L595-V907 HydrophobicContact CG-CG1 4.34Å; V606-V907 HydrophobicContact CB-CG2 4.49Å; V606-V907 HydrophobicContact CG1-CG2 3.89Å; V606-V907 HydrophobicContact CG2-CG2 3.85Å; V903-V907 WeakPolarHBondContact O-CG2 3.31Å; V903-V907 PolarHBondContact O-N 3.49Å; A904-V907 PolarHBondContact O-N 3.5Å; G905-V907 PolarHBondContact O-N 3.14Å; V907-L909 VanDerWaalsContact C-N 3.28Å; V907-L909 PolarHBondContact O-N 2.96Å; V907-E910 PolarHBondContact O-N 3.06Å; V907-L911 PolarHBondContact O-N 3.41Å
908	C	98.8	Very high	97.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-70.5	-23.8	-178.3	-65.5	0	0	0	0	113.2	P392 N485 M489 A904 G905 L906 L911 F912	P392-C908 HydrophobicContact CB-CB 3.83Å; P392-C908 HydrophobicContact CG-CB 3.49Å; P392-C908 VanDerWaalsContact CG-CB 3.49Å; N485-C908 VanDerWaalsContact CB-SG 3.53Å; M489-C908 HydrophobicContact CE-CB 3.94Å; M489-C908 HydrophobicContact SD-CB 3.72Å; A904-C908 PolarHBondContact O-N 3.17Å; A904-C908 VanDerWaalsContact O-N 3.14Å; A904-C908 PolarHBondContact O-SG 3.43Å; G905-C908 PolarHBondContact O-N 2.92Å; G905-C908 VanDerWaalsContact O-N 3.16Å; L906-C908 VanDerWaalsContact C-N 3.29Å; L906-C908 PolarHBondContact O-N 3.42Å; C908-L911 WeakPolarHBondContact O-CB 3.38Å; C908-L911 PolarHBondContact O-N 3.1Å; C908-F912 PolarHBondContact O-N 3.19Å
909	L	98.7	Very high	97	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-67.1	-42.9	170.6	-66.1	174.6	0	0	0	111.2	P392 V393 F422 A424 G905 L906 V907 L911 F912 K913	P392-L909 HydrophobicContact CB-CD2 3.69Å; P392-L909 HydrophobicContact CB-CG 3.86Å; V393-L909 HydrophobicContact CG2-CD2 3.92Å; F422-L909 HydrophobicContact CE1-CD1 4.05Å; F422-L909 HydrophobicContact CZ-CD1 3.75Å; A424-L909 HydrophobicContact CB-CD1 3.88Å; A424-L909 HydrophobicContact CB-CD2 3.93Å; A424-L909 HydrophobicContact CB-CG 4.46Å; G905-L909 PolarHBondContact O-N 2.88Å; G905-L909 VanDerWaalsContact O-N 3.16Å; L906-L909 HydrophobicContact CD2-CD1 3.98Å; L906-L909 WeakPolarHBondContact O-CB 3.45Å; L906-L909 PolarHBondContact O-N 2.9Å; L906-L909 VanDerWaalsContact O-N 3.15Å; V907-L909 VanDerWaalsContact C-N 3.28Å; V907-L909 PolarHBondContact O-N 2.96Å; L909-L911 VanDerWaalsContact C-N 3.28Å; L909-L911 PolarHBondContact O-N 3.09Å; L909-F912 HydrophobicContact CD2-CD2 4.28Å; L909-F912 HydrophobicContact CD2-CE2 4.46Å; L909-F912 WeakPolarHBondContact O-CB 3.24Å; L909-F912 PolarHBondContact O-N 3.02Å; L909-K913 PolarHBondContact O-N 3.49Å
910	E	98.6	Very high	96.7	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.047	12%	0.116	C	C	.	.	H	α-helix	trans	-66	-33	174.8	-57.8	-49.4	117.4	0	0	111.7	L595 V608 L906 V907 F912 K913 L914 F924 K925	L595-E910 HydrophobicContact CD2-CB 3.92Å; V608-E910 HydrophobicContact CB-CB 4.41Å; V608-E910 HydrophobicContact CB-CG 4.48Å; V608-E910 HydrophobicContact CG2-CB 4.43Å; L906-E910 PolarHBondContact O-N 2.8Å; V907-E910 PolarHBondContact O-N 3.06Å; E910-F912 PolarHBondContact O-N 2.71Å; E910-K913 WeakPolarHBondContact O-CB 3.5Å; E910-K913 PolarHBondContact O-N 2.91Å; E910-K913 VanDerWaalsContact O-N 3.14Å; E910-K913 WeakPolarHBondContact OE1-CE 3.44Å; E910-K913 IonicContact OE1-NZ 3.87Å; E910-K913 PolarHBondContact OE1-NZ 2.82Å; E910-K913 WeakPolarHBondContact OE2-CD 3.48Å; E910-K913 IonicContact OE2-NZ 3.33Å; E910-K913 PolarHBondContact OE2-NZ 2.91Å; E910-L914 PolarHBondContact O-N 3.38Å; E910-F924 WeakPolarHBondContact OE2-CA 3.42Å; E910-K925 PolarHBondContact OE2-N 3.13Å
911	L	98.6	Very high	96.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.4	-44.6	171.2	179.1	55.1	0	0	0	112	Y470 F486 M489 V491 L595 V907 C908 L909 K913 L914 V915	Y470-L911 HydrophobicContact CE1-CD1 4.14Å; Y470-L911 HydrophobicContact CE2-CD1 3.75Å; Y470-L911 VanDerWaalsContact CZ-CD1 3.42Å; Y470-L911 WeakPolarHBondContact OH-CD1 3.3Å; F486-L911 HydrophobicContact CD1-CD2 4.46Å; F486-L911 HydrophobicContact CE1-CD2 3.74Å; F486-L911 HydrophobicContact CE2-CD2 4.32Å; F486-L911 HydrophobicContact CZ-CD2 3.66Å; M489-L911 HydrophobicContact CE-CD2 3.98Å; M489-L911 HydrophobicContact CE-CG 4.4Å; V491-L911 HydrophobicContact CG2-CD2 3.99Å; L595-L911 HydrophobicContact CD1-CB 3.82Å; L595-L911 HydrophobicContact CD1-CD1 4.21Å; L595-L911 HydrophobicContact CD1-CG 4.44Å; V907-L911 PolarHBondContact O-N 3.41Å; C908-L911 WeakPolarHBondContact O-CB 3.38Å; C908-L911 PolarHBondContact O-N 3.1Å; L909-L911 VanDerWaalsContact C-N 3.28Å; L909-L911 PolarHBondContact O-N 3.09Å; L911-K913 PolarHBondContact O-N 3.22Å; L911-L914 PolarHBondContact O-N 3.04Å; L911-V915 HydrophobicContact CD1-CG2 3.88Å; L911-V915 HydrophobicContact CG-CG2 4.31Å; L911-V915 VanDerWaalsContact O-CG2 3.25Å; L911-V915 WeakPolarHBondContact O-CG2 3.41Å; L911-V915 PolarHBondContact O-N 3.09Å
912	F	98.1	Very high	96.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.6	-40.4	176.4	-69.3	-37.4	0	0	0	111.8	P392 C427 F457 F461 L465 M489 C908 L909 E910 V915 Q916	P392-F912 HydrophobicContact CB-CE2 4.37Å; P392-F912 HydrophobicContact CG-CE2 3.63Å; P392-F912 HydrophobicContact CG-CZ 3.89Å; C427-F912 HydrophobicContact CB-CB 4.35Å; F457-F912 HydrophobicContact CE2-CD1 4.45Å; F457-F912 HydrophobicContact CE2-CD2 4Å; F457-F912 HydrophobicContact CE2-CE1 4.21Å; F457-F912 AromaticContact CE2-CE2 3.78Å; F457-F912 HydrophobicContact CE2-CE2 3.78Å; F457-F912 HydrophobicContact CE2-CG 4.34Å; F457-F912 AromaticContact CE2-CZ 3.88Å; F457-F912 HydrophobicContact CE2-CZ 3.88Å; F457-F912 HydrophobicContact CZ-CB 4.48Å; F457-F912 AromaticContact CZ-CD2 3.61Å; F457-F912 HydrophobicContact CZ-CD2 3.61Å; F457-F912 AromaticContact CZ-CE2 3.82Å; F457-F912 HydrophobicContact CZ-CE2 3.82Å; F457-F912 HydrophobicContact CZ-CG 4.01Å; F457-F912 HydrophobicContact CZ-CZ 4.34Å; F461-F912 AromaticContact CE1-CD1 3.71Å; F461-F912 HydrophobicContact CE1-CD1 3.71Å; F461-F912 HydrophobicContact CE1-CE1 4.06Å; F461-F912 HydrophobicContact CE1-CG 4.48Å; F461-F912 HydrophobicContact CZ-CB 4.05Å; F461-F912 AromaticContact CZ-CD1 3.57Å; F461-F912 HydrophobicContact CZ-CD1 3.57Å; F461-F912 HydrophobicContact CZ-CE1 4.37Å; F461-F912 HydrophobicContact CZ-CG 4.15Å; L465-F912 HydrophobicContact CD1-CD1 4.35Å; L465-F912 HydrophobicContact CD1-CE1 3.98Å; L465-F912 HydrophobicContact CD2-CD1 4.42Å; M489-F912 HydrophobicContact CE-CD1 3.75Å; M489-F912 HydrophobicContact CE-CE1 3.28Å; M489-F912 HydrophobicContact CE-CE2 4.45Å; M489-F912 HydrophobicContact CE-CZ 3.69Å; M489-F912 HydrophobicContact CG-CE1 4.17Å; M489-F912 HydrophobicContact CG-CZ 4.06Å; M489-F912 HydrophobicContact SD-CE1 4.45Å; M489-F912 HydrophobicContact SD-CZ 4.41Å; C908-F912 PolarHBondContact O-N 3.19Å; L909-F912 HydrophobicContact CD2-CD2 4.28Å; L909-F912 HydrophobicContact CD2-CE2 4.46Å; L909-F912 WeakPolarHBondContact O-CB 3.24Å; L909-F912 PolarHBondContact O-N 3.02Å; E910-F912 PolarHBondContact O-N 2.71Å; F912-V915 PolarHBondContact O-N 2.81Å; F912-Q916 WeakPolarHBondContact O-CG 3.32Å; F912-Q916 PolarHBondContact O-N 2.92Å
913	K	97.3	Very high	96	Very high	4 Å²	4	31 Å²	31	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-41.4	179.6	-61.6	174.6	-167.6	176.5	0	112.5	L909 E910 L911 Q916 G917 H918 L923 F924	L909-K913 PolarHBondContact O-N 3.49Å; E910-K913 WeakPolarHBondContact O-CB 3.5Å; E910-K913 PolarHBondContact O-N 2.91Å; E910-K913 VanDerWaalsContact O-N 3.14Å; E910-K913 WeakPolarHBondContact OE1-CE 3.44Å; E910-K913 IonicContact OE1-NZ 3.87Å; E910-K913 PolarHBondContact OE1-NZ 2.82Å; E910-K913 WeakPolarHBondContact OE2-CD 3.48Å; E910-K913 IonicContact OE2-NZ 3.33Å; E910-K913 PolarHBondContact OE2-NZ 2.91Å; L911-K913 PolarHBondContact O-N 3.22Å; K913-Q916 PolarHBondContact O-N 2.89Å; K913-G917 PolarHBondContact O-N 2.76Å; K913-H918 PolarHBondContact O-CD2 2.91Å; K913-H918 VanDerWaalsContact O-CD2 3.3Å; K913-H918 PolarHBondContact O-N 3.31Å; K913-L923 VanDerWaalsContact CD-O 3.3Å; K913-L923 WeakPolarHBondContact CD-O 3.5Å; K913-L923 VanDerWaalsContact CE-O 3.29Å; K913-L923 WeakPolarHBondContact CE-O 3.4Å; K913-L923 PolarHBondContact NZ-O 2.77Å; K913-F924 HydrophobicContact CB-CD1 3.97Å; K913-F924 HydrophobicContact CB-CE1 3.5Å; K913-F924 VanDerWaalsContact CB-CE1 3.5Å; K913-F924 HydrophobicContact CB-CZ 4.19Å; K913-F924 HydrophobicContact CD-CD1 4.07Å; K913-F924 HydrophobicContact CD-CE1 4.43Å
914	L	96.6	Very high	96	Very high	30 Å²	30	31 Å²	31	16%	0.157	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-45.1	174.8	-69.7	174.7	0	0	0	111.6	P593 L595 V608 I610 E910 L911 Q916 G917 F924	P593-L914 HydrophobicContact CB-CD1 3.87Å; P593-L914 HydrophobicContact CB-CD2 4.27Å; L595-L914 HydrophobicContact CD2-CD1 3.92Å; L595-L914 HydrophobicContact CG-CD1 4.3Å; V608-L914 HydrophobicContact CG2-CD1 4.48Å; I610-L914 HydrophobicContact CD1-CD2 3.74Å; I610-L914 HydrophobicContact CG1-CD2 3.92Å; I610-L914 HydrophobicContact CG2-CD2 4.18Å; E910-L914 PolarHBondContact O-N 3.38Å; L911-L914 PolarHBondContact O-N 3.04Å; L914-Q916 VanDerWaalsContact C-N 3.29Å; L914-Q916 PolarHBondContact O-N 2.73Å; L914-G917 WeakPolarHBondContact O-CA 3.27Å; L914-G917 PolarHBondContact O-N 3.15Å; L914-F924 HydrophobicContact CD2-CE1 3.81Å; L914-F924 HydrophobicContact CD2-CZ 4.08Å; L914-F924 HydrophobicContact CG-CE1 4.11Å
915	V	96	Very high	95.9	Very high	18 Å²	18	32 Å²	32	11%	0.109	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-30.1	-177.4	178.7	0	0	0	0	112.1	F461 K464 L465 L468 L911 F912 G917	F461-V915 HydrophobicContact CD2-CG1 4.11Å; F461-V915 HydrophobicContact CE2-CB 3.79Å; F461-V915 HydrophobicContact CE2-CG1 3.58Å; F461-V915 HydrophobicContact CZ-CB 4.24Å; F461-V915 HydrophobicContact CZ-CG1 4.18Å; K464-V915 HydrophobicContact CB-CG1 3.89Å; L465-V915 HydrophobicContact CD2-CB 4.37Å; L465-V915 HydrophobicContact CD2-CG1 4.11Å; L465-V915 HydrophobicContact CD2-CG2 3.92Å; L465-V915 HydrophobicContact CG-CG1 4.26Å; L468-V915 HydrophobicContact CD1-CG2 3.51Å; L468-V915 HydrophobicContact CD2-CG2 4.29Å; L468-V915 HydrophobicContact CG-CG2 4.47Å; L911-V915 HydrophobicContact CD1-CG2 3.88Å; L911-V915 HydrophobicContact CG-CG2 4.31Å; L911-V915 VanDerWaalsContact O-CG2 3.25Å; L911-V915 WeakPolarHBondContact O-CG2 3.41Å; L911-V915 PolarHBondContact O-N 3.09Å; F912-V915 PolarHBondContact O-N 2.81Å; V915-G917 PolarHBondContact O-N 3.47Å
916	Q	92.2	Very high	95.9	Very high	25 Å²	25	32.2 Å²	32.2	12%	0.117	16%	0.162	C	C	.	.	H	α-helix	trans	-69.9	-17.8	170.6	-74.2	-155.2	118.4	0	0	113.5	C427 S429 F461 F912 K913 L914 H918	C427-Q916 PolarHBondContact O-NE2 2.9Å; S429-Q916 VanDerWaalsContact N-NE2 3.11Å; S429-Q916 WeakPolarHBondContact OG-CB 3.26Å; S429-Q916 WeakPolarHBondContact OG-CG 3.41Å; S429-Q916 PolarHBondContact OG-NE2 3.26Å; S429-Q916 PolarHBondContact OG-OE1 3.44Å; F461-Q916 HydrophobicContact CD2-CG 3.79Å; F461-Q916 HydrophobicContact CE2-CG 3.42Å; F461-Q916 VanDerWaalsContact CE2-CG 3.42Å; F461-Q916 HydrophobicContact CZ-CG 4.33Å; F912-Q916 WeakPolarHBondContact O-CG 3.32Å; F912-Q916 PolarHBondContact O-N 2.92Å; K913-Q916 PolarHBondContact O-N 2.89Å; L914-Q916 VanDerWaalsContact C-N 3.29Å; L914-Q916 PolarHBondContact O-N 2.73Å; Q916-H918 PolarHBondContact NE2-NE2 2.87Å
917	G	90.9	Very high	95.8	Very high	47 Å²	47	32.1 Å²	32.1	49%	0.485	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	30.3	179.9	0	0	0	0	0	113	K913 L914 V915	K913-G917 PolarHBondContact O-N 2.76Å; L914-G917 WeakPolarHBondContact O-CA 3.27Å; L914-G917 PolarHBondContact O-N 3.15Å; V915-G917 PolarHBondContact O-N 3.47Å
918	H	92	Very high	95.8	Very high	29 Å²	29	36.1 Å²	36.1	13%	0.134	18%	0.178	C	C	.	.			trans	-60	138.9	173.2	-68.7	-59.3	0	0	0	111.1	E426 L428 K913 Q916 L923 F924	E426-H918 PolarHBondContact O-NE2 2.58Å; L428-H918 PolarHBondContact O-CE1 2.69Å; K913-H918 PolarHBondContact O-CD2 2.91Å; K913-H918 VanDerWaalsContact O-CD2 3.3Å; K913-H918 PolarHBondContact O-N 3.31Å; Q916-H918 PolarHBondContact NE2-NE2 2.87Å; H918-L923 HydrophobicContact CB-CD1 4.07Å; H918-L923 VanDerWaalsContact ND1-CD1 3.34Å; H918-L923 WeakPolarHBondContact ND1-CD1 3.38Å; H918-F924 HydrophobicContact CB-CE2 3.9Å; H918-F924 HydrophobicContact CB-CZ 3.82Å
919	K	90.6	Very high	95.7	Very high	181 Å²	181	36.1 Å²	36.1	79%	0.787	18%	0.178	S	C	*	.			trans	-121.4	-3	179.2	-57.7	-169.3	178.3	-174.6	0	113.6	L613	L613-K919 WeakPolarHBondContact CD1-O 3.45Å
920	K	92.6	Very high	95.7	Very high	123 Å²	123	36.4 Å²	36.4	54%	0.535	18%	0.18	S	C	.	.			trans	-89.9	127.2	178.7	-63.6	-173.5	176.3	-173.2	0	108.9	E922 L923 F924	K920-E922 VanDerWaalsContact C-N 3.34Å; K920-E922 HydrophobicContact CB-CG 4.17Å; K920-E922 IonicContact NZ-OE1 2.75Å; K920-E922 PolarHBondContact O-N 3.06Å; K920-L923 HydrophobicContact CB-CD1 4.1Å; K920-L923 HydrophobicContact CB-CG 4.17Å; K920-L923 PolarHBondContact O-N 2.7Å; K920-F924 WeakPolarHBondContact O-CD2 3.37Å
921	L	93.6	Very high	95.7	Very high	29 Å²	29	36 Å²	36	15%	0.152	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-59.8	-44	-177.2	-168	61.1	0	0	0	111.7	L613 T614 L923 F924 E940 P941 A943	L613-L921 HydrophobicContact CD1-CB 4.13Å; L613-L921 HydrophobicContact CD1-CD1 4.18Å; L613-L921 HydrophobicContact CG-CD1 3.99Å; T614-L921 HydrophobicContact CG2-CD1 3.8Å; L921-L923 PolarHBondContact O-N 3.19Å; L921-F924 PolarHBondContact O-N 3.22Å; L921-E940 HydrophobicContact CB-CG 4.42Å; L921-E940 HydrophobicContact CD2-CG 4.25Å; L921-E940 WeakPolarHBondContact CD2-OE1 3.28Å; L921-E940 HydrophobicContact CG-CG 3.71Å; L921-E940 VanDerWaalsContact CG-OE1 3.29Å; L921-E940 WeakPolarHBondContact CG-OE1 3.3Å; L921-P941 HydrophobicContact CD1-CB 4.14Å; L921-P941 WeakPolarHBondContact CD1-O 3.39Å; L921-P941 WeakPolarHBondContact CD2-O 3.5Å; L921-P941 WeakPolarHBondContact CG-O 3.35Å; L921-A943 HydrophobicContact CD2-CB 3.89Å
922	E	93.4	Very high	95.6	Very high	105 Å²	105	36 Å²	36	49%	0.491	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-55.3	-22.4	-179.4	69.4	-166.8	-174.1	0	0	115.9	K920 K925 E940	K920-E922 VanDerWaalsContact C-N 3.34Å; K920-E922 HydrophobicContact CB-CG 4.17Å; K920-E922 IonicContact NZ-OE1 2.75Å; K920-E922 PolarHBondContact O-N 3.06Å; E922-K925 PolarHBondContact O-NZ 2.66Å; E922-K925 VanDerWaalsContact O-NZ 3.14Å; E922-E940 VanDerWaalsContact CA-OE2 3.27Å; E922-E940 WeakPolarHBondContact CA-OE2 3.38Å
923	L	94.5	Very high	95.5	Very high	39 Å²	39	38.9 Å²	38.9	20%	0.204	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-80.7	-29	178.5	-65.2	178	0	0	0	112.4	E426 K913 H918 K920 L921	E426-L923 HydrophobicContact CB-CD2 4.41Å; E426-L923 WeakPolarHBondContact CB-O 3.42Å; E426-L923 HydrophobicContact CG-CD2 4.37Å; K913-L923 VanDerWaalsContact CD-O 3.3Å; K913-L923 WeakPolarHBondContact CD-O 3.5Å; K913-L923 VanDerWaalsContact CE-O 3.29Å; K913-L923 WeakPolarHBondContact CE-O 3.4Å; K913-L923 PolarHBondContact NZ-O 2.77Å; H918-L923 HydrophobicContact CB-CD1 4.07Å; H918-L923 VanDerWaalsContact ND1-CD1 3.34Å; H918-L923 WeakPolarHBondContact ND1-CD1 3.38Å; K920-L923 HydrophobicContact CB-CD1 4.1Å; K920-L923 HydrophobicContact CB-CG 4.17Å; K920-L923 PolarHBondContact O-N 2.7Å; L921-L923 PolarHBondContact O-N 3.19Å
924	F	97.5	Very high	95.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.			trans	-80.6	148.5	176.9	-66.9	-78	0	0	0	110.2	V608 I610 L613 E910 K913 L914 H918 K920 L921 P941	V608-F924 HydrophobicContact CG1-CB 3.96Å; V608-F924 HydrophobicContact CG1-CD1 4.3Å; V608-F924 HydrophobicContact CG1-CG 4.45Å; V608-F924 HydrophobicContact CG2-CD1 4.46Å; I610-F924 HydrophobicContact CD1-CB 4.43Å; I610-F924 HydrophobicContact CD1-CD1 3.43Å; I610-F924 VanDerWaalsContact CD1-CD1 3.43Å; I610-F924 HydrophobicContact CD1-CD2 3.58Å; I610-F924 HydrophobicContact CD1-CE1 3.35Å; I610-F924 HydrophobicContact CD1-CE2 3.52Å; I610-F924 HydrophobicContact CD1-CG 3.53Å; I610-F924 HydrophobicContact CD1-CZ 3.4Å; L613-F924 HydrophobicContact CD2-CD2 3.92Å; L613-F924 HydrophobicContact CD2-CE2 3.67Å; E910-F924 WeakPolarHBondContact OE2-CA 3.42Å; K913-F924 HydrophobicContact CB-CD1 3.97Å; K913-F924 HydrophobicContact CB-CE1 3.5Å; K913-F924 VanDerWaalsContact CB-CE1 3.5Å; K913-F924 HydrophobicContact CB-CZ 4.19Å; K913-F924 HydrophobicContact CD-CD1 4.07Å; K913-F924 HydrophobicContact CD-CE1 4.43Å; L914-F924 HydrophobicContact CD2-CE1 3.81Å; L914-F924 HydrophobicContact CD2-CZ 4.08Å; L914-F924 HydrophobicContact CG-CE1 4.11Å; H918-F924 HydrophobicContact CB-CE2 3.9Å; H918-F924 HydrophobicContact CB-CZ 3.82Å; K920-F924 WeakPolarHBondContact O-CD2 3.37Å; L921-F924 PolarHBondContact O-N 3.22Å; F924-P941 HydrophobicContact CB-CG 3.82Å; F924-P941 VanDerWaalsContact O-CD 3.26Å; F924-P941 WeakPolarHBondContact O-CD 3.37Å
925	K	97.7	Very high	95.1	Very high	21 Å²	21	42.6 Å²	42.6	9%	0.091	21%	0.212	C	C	.	.			trans	-133.7	120.4	-178.7	-60.3	-64.9	178.5	-161.1	0	110	E910 E922 F938 Y939	E910-K925 PolarHBondContact OE2-N 3.13Å; E922-K925 PolarHBondContact O-NZ 2.66Å; E922-K925 VanDerWaalsContact O-NZ 3.14Å; K925-F938 HydrophobicContact CB-CB 4.42Å; K925-F938 HydrophobicContact CB-CD1 4.31Å; K925-F938 HydrophobicContact CD-CB 4.29Å; K925-F938 HydrophobicContact CG-CB 4.5Å; K925-Y939 WeakPolarHBondContact CA-O 3.3Å
926	N	97.8	Very high	95.1	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.032	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	150.9	153.7	-69.1	-11.8	0	0	0	108.1	V606 Q607 V608 F938 Y939	V606-N926 CarbonylContact O-C 3.58Å; V606-N926 VanDerWaalsContact O-CA 3.3Å; V606-N926 WeakPolarHBondContact O-CA 3.22Å; Q607-N926 VanDerWaalsContact CA-OD1 3.3Å; Q607-N926 WeakPolarHBondContact CA-OD1 3.41Å; V608-N926 PolarHBondContact N-OD1 3.33Å; N926-F938 WeakPolarHBondContact O-CA 3.37Å; N926-Y939 HydrophobicContact CB-CD1 4.49Å; N926-Y939 HydrophobicContact CB-CD2 3.83Å; N926-Y939 HydrophobicContact CB-CE1 4.14Å; N926-Y939 HydrophobicContact CB-CE2 3.43Å; N926-Y939 VanDerWaalsContact CB-CE2 3.43Å; N926-Y939 HydrophobicContact CB-CG 4.35Å; N926-Y939 PolarHBondContact N-O 3.37Å; N926-Y939 PolarHBondContact O-N 3.21Å
927	A	97.9	Very high	95.3	Very high	3 Å²	3	42 Å²	42	3%	0.025	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.7	-177.6	0	0	0	0	0	111.3	N605 V606 L906 S937 F938	N605-A927 CarbonylContact C-O 3.58Å; N605-A927 WeakPolarHBondContact CA-O 3.48Å; V606-A927 HydrophobicContact CB-CB 4.21Å; V606-A927 PolarHBondContact N-O 3.16Å; V606-A927 PolarHBondContact O-N 3.46Å; L906-A927 HydrophobicContact CD1-CB 3.87Å; A927-S937 CarbonylContact C-O 3.56Å; A927-S937 WeakPolarHBondContact CA-O 3.27Å; A927-F938 HydrophobicContact CB-CD1 3.68Å; A927-F938 HydrophobicContact CB-CE1 3.72Å
928	Y	97.7	Very high	95.6	Very high	84 Å²	84	40.5 Å²	40.5	33%	0.329	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.4	163.5	179.8	-84.7	0	0	0	108.8	G604 D930 F935 T936 S937	G604-Y928 CarbonylContact O-C 3.54Å; G604-Y928 WeakPolarHBondContact O-CA 3.44Å; Y928-D930 HydrophobicContact CE1-CB 4.16Å; Y928-F935 AromaticContact CD1-CD1 3.92Å; Y928-F935 HydrophobicContact CD1-CD1 3.92Å; Y928-F935 AromaticContact CD1-CE1 3.51Å; Y928-F935 HydrophobicContact CD1-CE1 3.51Å; Y928-F935 AromaticContact CE1-CD1 3.94Å; Y928-F935 HydrophobicContact CE1-CD1 3.94Å; Y928-F935 AromaticContact CE1-CE1 3.77Å; Y928-F935 HydrophobicContact CE1-CE1 3.77Å; Y928-T936 CarbonylContact O-C 3.51Å; Y928-T936 WeakPolarHBondContact O-CA 3.48Å; Y928-S937 PolarHBondContact N-O 3.18Å; Y928-S937 PolarHBondContact O-N 3.13Å
929	V	98	Very high	95.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.3	177.6	-55	0	0	0	0	109.8	K603 G604 L902 V903 L906 T936	K603-V929 CarbonylContact C-O 3.45Å; K603-V929 VanDerWaalsContact CA-O 3.25Å; K603-V929 WeakPolarHBondContact CA-O 3.37Å; G604-V929 PolarHBondContact N-O 2.89Å; G604-V929 PolarHBondContact O-N 2.89Å; L902-V929 HydrophobicContact CD2-CB 4.43Å; L902-V929 HydrophobicContact CD2-CG1 3.93Å; L902-V929 HydrophobicContact CD2-CG2 4.01Å; V903-V929 HydrophobicContact CG2-CG2 4.32Å; L906-V929 HydrophobicContact CD1-CG1 4.12Å; V929-T936 HydrophobicContact CB-CG2 4.23Å; V929-T936 HydrophobicContact CG1-CG2 3.75Å
930	D	98	Very high	96	Very high	10 Å²	10	40 Å²	40	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	106.4	164.1	-174.3	-3.9	0	0	0	108.7	T602 K603 Y928 A932 L933 F935	T602-D930 WeakPolarHBondContact CB-OD1 3.32Å; T602-D930 PolarHBondContact OG1-OD1 3.2Å; K603-D930 HydrophobicContact CG-CB 4.18Å; Y928-D930 HydrophobicContact CE1-CB 4.16Å; D930-A932 VanDerWaalsContact C-N 3.26Å; D930-A932 PolarHBondContact O-N 2.93Å; D930-A932 VanDerWaalsContact OD1-CB 3.3Å; D930-A932 WeakPolarHBondContact OD1-CB 3.43Å; D930-A932 PolarHBondContact OD1-N 3.14Å; D930-L933 CarbonylContact O-C 3.54Å; D930-L933 PolarHBondContact O-N 3.14Å; D930-F935 HydrophobicContact CB-CD1 4.42Å; D930-F935 PolarHBondContact N-O 3.47Å
931	L	98.1	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.9	-178.5	-69.8	-174.6	0	0	0	113.8	F400 Q403 K407 T602 L902 L933	F400-L931 HydrophobicContact CD2-CD2 3.67Å; F400-L931 HydrophobicContact CE2-CD2 3.95Å; F400-L931 HydrophobicContact CG-CD2 4.42Å; Q403-L931 HydrophobicContact CB-CD1 4.23Å; Q403-L931 HydrophobicContact CG-CB 3.95Å; Q403-L931 HydrophobicContact CG-CD1 4.33Å; K407-L931 WeakPolarHBondContact CE-O 3.45Å; K407-L931 PolarHBondContact NZ-O 2.96Å; T602-L931 HydrophobicContact CG2-CB 4.39Å; T602-L931 PolarHBondContact O-N 3.47Å; L902-L931 HydrophobicContact CD1-CD1 3.96Å; L902-L931 HydrophobicContact CD1-CD2 3.71Å; L902-L931 HydrophobicContact CD1-CG 4.17Å; L931-L933 CarbonylContact C-O 3.54Å; L931-L933 VanDerWaalsContact C-O 3.29Å; L931-L933 WeakPolarHBondContact CA-O 3.36Å
932	A	97.3	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-26.9	168.6	0	0	0	0	0	111.1	T207 F413 T414 T602 D930	T207-A932 WeakPolarHBondContact O-CB 3.35Å; F413-A932 HydrophobicContact CB-CB 4.33Å; F413-A932 VanDerWaalsContact CB-O 3.31Å; F413-A932 WeakPolarHBondContact CB-O 3.19Å; F413-A932 HydrophobicContact CD1-CB 3.28Å; F413-A932 HydrophobicContact CE1-CB 3.64Å; F413-A932 HydrophobicContact CG-CB 3.89Å; F413-A932 HydrophobicContact CZ-CB 4.5Å; T414-A932 PolarHBondContact N-O 3.49Å; T602-A932 VanDerWaalsContact CB-N 3.29Å; T602-A932 HydrophobicContact CG2-CB 4.03Å; T602-A932 VanDerWaalsContact OG1-CB 3.3Å; T602-A932 WeakPolarHBondContact OG1-CB 3.29Å; T602-A932 PolarHBondContact OG1-N 3.49Å; D930-A932 VanDerWaalsContact C-N 3.26Å; D930-A932 PolarHBondContact O-N 2.93Å; D930-A932 VanDerWaalsContact OD1-CB 3.3Å; D930-A932 WeakPolarHBondContact OD1-CB 3.43Å; D930-A932 PolarHBondContact OD1-N 3.14Å
933	L	96.1	Very high	96.5	Very high	61 Å²	61	34.1 Å²	34.1	32%	0.319	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	164.5	168.8	-57.5	176.9	0	0	0	107.9	T207 D930 L931 F935	T207-L933 HydrophobicContact CG2-CD2 4.28Å; D930-L933 CarbonylContact O-C 3.54Å; D930-L933 PolarHBondContact O-N 3.14Å; L931-L933 CarbonylContact C-O 3.54Å; L931-L933 VanDerWaalsContact C-O 3.29Å; L931-L933 WeakPolarHBondContact CA-O 3.36Å; L933-F935 HydrophobicContact CB-CB 3.89Å; L933-F935 PolarHBondContact O-N 2.94Å; L933-F935 VanDerWaalsContact O-N 3.07Å
934	P	88.9	Confident	96.6	Very high	41 Å²	41	33 Å²	33	27%	0.266	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	67.1	160	31.9	-32	0	0	0	108.1	M311 L416	M311-P934 WeakPolarHBondContact CE-O 3.45Å; M311-P934 HydrophobicContact CG-CB 4.45Å; M311-P934 HydrophobicContact SD-CB 3.77Å; L416-P934 HydrophobicContact CD1-CB 4.34Å
935	F	96	Very high	96.5	Very high	72 Å²	72	39.8 Å²	39.8	32%	0.316	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125	-174.6	-175.8	-111.6	0	0	0	113.3	F315 Y928 D930 L933	F315-F935 AromaticContact CE2-CE2 3.91Å; F315-F935 HydrophobicContact CE2-CE2 3.91Å; F315-F935 HydrophobicContact CZ-CE2 4.27Å; Y928-F935 AromaticContact CD1-CD1 3.92Å; Y928-F935 HydrophobicContact CD1-CD1 3.92Å; Y928-F935 AromaticContact CD1-CE1 3.51Å; Y928-F935 HydrophobicContact CD1-CE1 3.51Å; Y928-F935 AromaticContact CE1-CD1 3.94Å; Y928-F935 HydrophobicContact CE1-CD1 3.94Å; Y928-F935 AromaticContact CE1-CE1 3.77Å; Y928-F935 HydrophobicContact CE1-CE1 3.77Å; D930-F935 HydrophobicContact CB-CD1 4.42Å; D930-F935 PolarHBondContact N-O 3.47Å; L933-F935 HydrophobicContact CB-CB 3.89Å; L933-F935 PolarHBondContact O-N 2.94Å; L933-F935 VanDerWaalsContact O-N 3.07Å
936	T	96.5	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.3	166.1	59.3	0	0	0	0	108.4	M311 T313 F396 Y928 V929	M311-T936 HydrophobicContact CE-CG2 3.96Å; T313-T936 WeakPolarHBondContact CA-OG1 3.47Å; T313-T936 CarbonylContact O-C 3.6Å; T313-T936 VanDerWaalsContact O-O 3.1Å; T313-T936 PolarHBondContact O-OG1 3.48Å; F396-T936 HydrophobicContact CE2-CG2 4.33Å; F396-T936 HydrophobicContact CZ-CG2 4.26Å; Y928-T936 CarbonylContact O-C 3.51Å; Y928-T936 WeakPolarHBondContact O-CA 3.48Å; V929-T936 HydrophobicContact CB-CG2 4.23Å; V929-T936 HydrophobicContact CG1-CG2 3.75Å
937	S	95.8	Very high	96.3	Very high	30 Å²	30	47 Å²	47	21%	0.21	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.8	174.9	-176.6	0	0	0	0	108.8	A927 Y928	A927-S937 CarbonylContact C-O 3.56Å; A927-S937 WeakPolarHBondContact CA-O 3.27Å; Y928-S937 PolarHBondContact N-O 3.18Å; Y928-S937 PolarHBondContact O-N 3.13Å
938	F	97.1	Very high	96.1	Very high	16 Å²	16	52.5 Å²	52.5	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.4	174.9	-61	-88.2	0	0	0	108.1	T313 D314 F396 F422 L906 K925 N926 A927	T313-F938 VanDerWaalsContact O-CD2 3.22Å; T313-F938 WeakPolarHBondContact O-CD2 3.43Å; T313-F938 WeakPolarHBondContact O-CE2 3.49Å; D314-F938 HydrophobicContact CB-CB 4.47Å; D314-F938 HydrophobicContact CB-CD2 3.86Å; F396-F938 HydrophobicContact CE2-CZ 4.29Å; F422-F938 HydrophobicContact CD2-CE2 4.5Å; F422-F938 HydrophobicContact CD2-CZ 4.39Å; F422-F938 HydrophobicContact CE2-CE1 4.34Å; F422-F938 HydrophobicContact CE2-CE2 4.14Å; F422-F938 AromaticContact CE2-CZ 3.71Å; F422-F938 HydrophobicContact CE2-CZ 3.71Å; L906-F938 HydrophobicContact CD1-CE1 4.02Å; L906-F938 HydrophobicContact CD1-CZ 4.32Å; L906-F938 HydrophobicContact CD2-CE1 3.78Å; L906-F938 HydrophobicContact CD2-CZ 4.05Å; K925-F938 HydrophobicContact CB-CB 4.42Å; K925-F938 HydrophobicContact CB-CD1 4.31Å; K925-F938 HydrophobicContact CD-CB 4.29Å; K925-F938 HydrophobicContact CG-CB 4.5Å; N926-F938 WeakPolarHBondContact O-CA 3.37Å; A927-F938 HydrophobicContact CB-CD1 3.68Å; A927-F938 HydrophobicContact CB-CE1 3.72Å
939	Y	95.2	Very high	95.8	Very high	105 Å²	105	49.3 Å²	49.3	41%	0.412	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.3	-177.8	54.6	-83.2	0	0	0	110.7	K925 N926	K925-Y939 WeakPolarHBondContact CA-O 3.3Å; N926-Y939 HydrophobicContact CB-CD1 4.49Å; N926-Y939 HydrophobicContact CB-CD2 3.83Å; N926-Y939 HydrophobicContact CB-CE1 4.14Å; N926-Y939 HydrophobicContact CB-CE2 3.43Å; N926-Y939 VanDerWaalsContact CB-CE2 3.43Å; N926-Y939 HydrophobicContact CB-CG 4.35Å; N926-Y939 PolarHBondContact N-O 3.37Å; N926-Y939 PolarHBondContact O-N 3.21Å
940	E	96.3	Very high	95.6	Very high	94 Å²	94	53.6 Å²	53.6	44%	0.439	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-63.5	135.5	177.6	-175.3	172.5	137.2	0	0	110.1	L921 E922	L921-E940 HydrophobicContact CB-CG 4.42Å; L921-E940 HydrophobicContact CD2-CG 4.25Å; L921-E940 WeakPolarHBondContact CD2-OE1 3.28Å; L921-E940 HydrophobicContact CG-CG 3.71Å; L921-E940 VanDerWaalsContact CG-OE1 3.29Å; L921-E940 WeakPolarHBondContact CG-OE1 3.3Å; E922-E940 VanDerWaalsContact CA-OE2 3.27Å; E922-E940 WeakPolarHBondContact CA-OE2 3.38Å
941	P	97	Very high	95.3	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.019	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-60	148.6	171.5	-20.9	31.4	0	0	0	111.4	V608 T614 L921 F924	V608-P941 HydrophobicContact CG1-CG 3.69Å; T614-P941 HydrophobicContact CG2-CB 3.65Å; T614-P941 HydrophobicContact CG2-CG 4.31Å; L921-P941 HydrophobicContact CD1-CB 4.14Å; L921-P941 WeakPolarHBondContact CD1-O 3.39Å; L921-P941 WeakPolarHBondContact CD2-O 3.5Å; L921-P941 WeakPolarHBondContact CG-O 3.35Å; F924-P941 HydrophobicContact CB-CG 3.82Å; F924-P941 VanDerWaalsContact O-CD 3.26Å; F924-P941 WeakPolarHBondContact O-CD 3.37Å
942	V	96.6	Very high	95.1	Very high	79 Å²	79	63.9 Å²	63.9	48%	0.479	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-76.2	135.8	178.8	-174.1	0	0	0	0	109.5	T614 E615	T614-V942 CarbonylContact C-O 3.57Å; T614-V942 VanDerWaalsContact CA-O 3.26Å; T614-V942 WeakPolarHBondContact CA-O 3.23Å; E615-V942 HydrophobicContact CG-CB 4.09Å; E615-V942 PolarHBondContact N-O 3.24Å
943	A	97.3	Very high	95	Very high	52 Å²	52	68.2 Å²	68.2	43%	0.43	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-67.4	149.1	172.6	0	0	0	0	0	110.7	L921	L921-A943 HydrophobicContact CD2-CB 3.89Å
944	P	96.5	Very high	95	Very high	16 Å²	16	66.2 Å²	66.2	10%	0.104	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-66.2	143	179.8	29.7	-34.5	0	0	0	110.6	L613 K946 L956	L613-P944 VanDerWaalsContact O-CD 3.26Å; L613-P944 WeakPolarHBondContact O-CD 3.37Å; P944-K946 PolarHBondContact O-N 3.11Å; P944-L956 HydrophobicContact CB-CD2 4.02Å; P944-L956 HydrophobicContact CB-CG 4.45Å
945	I	95.6	Very high	95.3	Very high	142 Å²	142	64.9 Å²	64.9	73%	0.728	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-59.4	127.5	173.3	-60.7	174.3	0	0	0	108.5
946	K	94.9	Very high	95.3	Very high	140 Å²	140	63.9 Å²	63.9	61%	0.609	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-99	126.5	175.3	-67.7	-173.6	171.7	-166.8	0	110.5	P944 E953 F954	P944-K946 PolarHBondContact O-N 3.11Å; K946-E953 IonicContact NZ-OE2 2.63Å; K946-E953 PolarHBondContact NZ-OE2 3.42Å; K946-E953 VanDerWaalsContact NZ-OE2 3.09Å; K946-F954 CarbonylContact C-O 3.58Å; K946-F954 VanDerWaalsContact CA-O 3.3Å; K946-F954 WeakPolarHBondContact CA-O 3.28Å
947	S	94.7	Very high	95.4	Very high	37 Å²	37	63.9 Å²	63.9	26%	0.259	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	166.8	170.6	-67.7	0	0	0	0	109.9	E953 F954	S947-E953 WeakPolarHBondContact O-CA 3.03Å; S947-F954 VanDerWaalsContact CB-CE1 3.49Å; S947-F954 VanDerWaalsContact CB-CZ 3.43Å; S947-F954 PolarHBondContact N-O 3.18Å; S947-F954 WeakPolarHBondContact O-CD1 3.43Å; S947-F954 PolarHBondContact O-N 2.85Å
948	K	94	Very high	95.5	Very high	119 Å²	119	64.7 Å²	64.7	52%	0.517	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.2	177.7	-56.5	-165.6	-172.4	-152.2	0	111.8	T952 E953	K948-T952 VanDerWaalsContact CA-O 3.3Å; K948-T952 WeakPolarHBondContact CA-O 3.34Å; K948-E953 HydrophobicContact CD-CG 4.01Å; K948-E953 WeakPolarHBondContact CE-OE1 3.24Å; K948-E953 HydrophobicContact CG-CG 4.08Å; K948-E953 IonicContact NZ-OE1 2.69Å; K948-E953 PolarHBondContact NZ-OE1 3.25Å
949	Y	93	Very high	95.4	Very high	18 Å²	18	65.7 Å²	65.7	7%	0.071	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.2	156.9	64	-87.6	0	0	0	107.6	D951 T952 F954 F960 L981 V1046 P1047	Y949-D951 PolarHBondContact O-N 3.5Å; Y949-T952 HydrophobicContact CE1-CG2 3.85Å; Y949-T952 HydrophobicContact CE2-CG2 4.31Å; Y949-T952 PolarHBondContact N-O 3.11Å; Y949-T952 PolarHBondContact O-N 3.36Å; Y949-T952 WeakPolarHBondContact OH-CG2 3.45Å; Y949-F954 AromaticContact CD1-CD1 3.8Å; Y949-F954 HydrophobicContact CD1-CD1 3.8Å; Y949-F954 AromaticContact CD1-CE1 3.91Å; Y949-F954 HydrophobicContact CD1-CE1 3.91Å; Y949-F954 HydrophobicContact CE1-CD1 4.06Å; Y949-F960 HydrophobicContact CE1-CZ 4.23Å; Y949-L981 HydrophobicContact CD2-CD1 3.83Å; Y949-L981 HydrophobicContact CD2-CD2 4.29Å; Y949-L981 HydrophobicContact CD2-CG 4.32Å; Y949-L981 HydrophobicContact CE2-CD1 4Å; Y949-L981 HydrophobicContact CG-CD1 4.34Å; Y949-V1046 HydrophobicContact CD1-CG1 4.08Å; Y949-V1046 HydrophobicContact CG-CG1 4.18Å; Y949-P1047 HydrophobicContact CE1-CG 4.45Å
950	Y	92.7	Very high	95.5	Very high	91 Å²	91	61.5 Å²	61.5	36%	0.357	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	-124.3	-167.2	-54	-73.3	0	0	0	111.8	K980 L981 D1038 E1039	Y950-K980 HydrophobicContact CE2-CB 4.11Å; Y950-K980 PolarHBondContact OH-O 2.85Å; Y950-L981 HydrophobicContact CE2-CD2 3.95Å; Y950-L981 HydrophobicContact CE2-CG 4.42Å; Y950-D1038 HydrophobicContact CE1-CB 4.13Å; Y950-D1038 WeakPolarHBondContact OH-CA 3.38Å; Y950-E1039 WeakPolarHBondContact OH-CG 3.26Å; Y950-E1039 PolarHBondContact OH-N 2.86Å
951	D	91.7	Very high	95.4	Very high	161 Å²	161	61.1 Å²	61.1	86%	0.861	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	0.1	178.2	-63.8	-45	0	0	0	113.7	Y949	Y949-D951 PolarHBondContact O-N 3.5Å
952	T	93.3	Very high	95.3	Very high	65 Å²	65	61.5 Å²	61.5	40%	0.399	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.8	-178.5	-53.9	0	0	0	0	110.5	K948 Y949	K948-T952 VanDerWaalsContact CA-O 3.3Å; K948-T952 WeakPolarHBondContact CA-O 3.34Å; Y949-T952 HydrophobicContact CE1-CG2 3.85Å; Y949-T952 HydrophobicContact CE2-CG2 4.31Å; Y949-T952 PolarHBondContact N-O 3.11Å; Y949-T952 PolarHBondContact O-N 3.36Å; Y949-T952 WeakPolarHBondContact OH-CG2 3.45Å
953	E	95.2	Very high	95.1	Very high	90 Å²	90	61.7 Å²	61.7	42%	0.421	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	141.8	168.8	-54.4	-162.2	146.4	0	0	110.8	K946 S947 K948	K946-E953 IonicContact NZ-OE2 2.63Å; K946-E953 PolarHBondContact NZ-OE2 3.42Å; K946-E953 VanDerWaalsContact NZ-OE2 3.09Å; S947-E953 WeakPolarHBondContact O-CA 3.03Å; K948-E953 HydrophobicContact CD-CG 4.01Å; K948-E953 WeakPolarHBondContact CE-OE1 3.24Å; K948-E953 HydrophobicContact CG-CG 4.08Å; K948-E953 IonicContact NZ-OE1 2.69Å; K948-E953 PolarHBondContact NZ-OE1 3.25Å
954	F	96.6	Very high	94.3	Very high	20 Å²	20	60 Å²	60	9%	0.088	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	165.9	173	76.3	-85.2	0	0	0	111.3	K946 S947 Y949 D958 D1045 P1047	K946-F954 CarbonylContact C-O 3.58Å; K946-F954 VanDerWaalsContact CA-O 3.3Å; K946-F954 WeakPolarHBondContact CA-O 3.28Å; S947-F954 VanDerWaalsContact CB-CE1 3.49Å; S947-F954 VanDerWaalsContact CB-CZ 3.43Å; S947-F954 PolarHBondContact N-O 3.18Å; S947-F954 WeakPolarHBondContact O-CD1 3.43Å; S947-F954 PolarHBondContact O-N 2.85Å; Y949-F954 AromaticContact CD1-CD1 3.8Å; Y949-F954 HydrophobicContact CD1-CD1 3.8Å; Y949-F954 AromaticContact CD1-CE1 3.91Å; Y949-F954 HydrophobicContact CD1-CE1 3.91Å; Y949-F954 HydrophobicContact CE1-CD1 4.06Å; F954-D958 WeakPolarHBondContact CA-OD2 3.37Å; F954-D958 HydrophobicContact CB-CB 3.82Å; F954-D1045 WeakPolarHBondContact CE1-O 3.49Å; F954-D1045 VanDerWaalsContact CZ-C 3.47Å; F954-D1045 HydrophobicContact CZ-CB 3.94Å; F954-D1045 VanDerWaalsContact CZ-O 3.28Å; F954-D1045 WeakPolarHBondContact CZ-O 3.34Å; F954-P1047 HydrophobicContact CB-CG 3.81Å; F954-P1047 HydrophobicContact CD1-CG 4.29Å; F954-P1047 HydrophobicContact CD2-CB 4.31Å; F954-P1047 HydrophobicContact CD2-CG 3.54Å; F954-P1047 HydrophobicContact CE2-CG 4.14Å; F954-P1047 HydrophobicContact CG-CG 3.62Å
955	S	96.4	Very high	93.9	Very high	12 Å²	12	64 Å²	64	8%	0.084	33%	0.333	C	S	.	.			trans	-137.8	-176.8	179.1	67.9	0	0	0	0	110.5	W957 D958	S955-W957 PolarHBondContact O-N 3.11Å; S955-W957 PolarHBondContact OG-N 3.33Å; S955-D958 PolarHBondContact N-OD2 2.83Å; S955-D958 PolarHBondContact O-N 3.25Å; S955-D958 VanDerWaalsContact O-N 3.1Å; S955-D958 PolarHBondContact OG-OD2 2.83Å
956	L	95.7	Very high	93.7	Very high	51 Å²	51	59 Å²	59	27%	0.267	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.2	174.4	76.2	94.2	0	0	0	114.3	V588 P944	V588-L956 HydrophobicContact CB-CD1 4.39Å; V588-L956 HydrophobicContact CG1-CD1 3.62Å; V588-L956 HydrophobicContact CG2-CD1 3.88Å; P944-L956 HydrophobicContact CB-CD2 4.02Å; P944-L956 HydrophobicContact CB-CG 4.45Å
957	W	97.3	Very high	93.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-16.3	-178.9	-62.5	106.7	0	0	0	114.1	V588 R591 V609 P611 Y612 T614 S955	V588-W957 HydrophobicContact CB-CZ3 4.26Å; V588-W957 HydrophobicContact CG1-CE3 4.38Å; V588-W957 HydrophobicContact CG1-CZ3 4.49Å; V588-W957 HydrophobicContact CG2-CH2 4.06Å; V588-W957 HydrophobicContact CG2-CZ3 4.18Å; R591-W957 PolarHBondContact NE-O 2.96Å; V609-W957 HydrophobicContact CG1-CH2 3.74Å; V609-W957 HydrophobicContact CG1-CZ2 3.75Å; P611-W957 HydrophobicContact CB-CD2 4.33Å; P611-W957 HydrophobicContact CB-CE3 3.91Å; P611-W957 HydrophobicContact CB-CH2 4.38Å; P611-W957 HydrophobicContact CB-CZ3 3.89Å; P611-W957 HydrophobicContact CG-CE3 4.36Å; P611-W957 HydrophobicContact CG-CH2 4.15Å; P611-W957 HydrophobicContact CG-CZ3 3.84Å; Y612-W957 HydrophobicContact CD1-CB 3.51Å; Y612-W957 HydrophobicContact CD1-CG 4.34Å; Y612-W957 HydrophobicContact CE1-CB 3.62Å; Y612-W957 HydrophobicContact CG-CB 4.06Å; Y612-W957 HydrophobicContact CG-CG 4.5Å; Y612-W957 VanDerWaalsContact N-CD1 3.26Å; Y612-W957 VanDerWaalsContact N-CG 3.26Å; T614-W957 PolarHBondContact O-NE1 3.11Å; S955-W957 PolarHBondContact O-N 3.11Å; S955-W957 PolarHBondContact OG-N 3.33Å
958	D	97.6	Very high	93.9	Very high	48 Å²	48	53.3 Å²	53.3	26%	0.257	28%	0.282	S	S	.	.			trans	-86.3	150	-178.7	-62.5	-65	0	0	0	110.5	F954 S955 P1047	F954-D958 WeakPolarHBondContact CA-OD2 3.37Å; F954-D958 HydrophobicContact CB-CB 3.82Å; S955-D958 PolarHBondContact N-OD2 2.83Å; S955-D958 PolarHBondContact O-N 3.25Å; S955-D958 VanDerWaalsContact O-N 3.1Å; S955-D958 PolarHBondContact OG-OD2 2.83Å; D958-P1047 HydrophobicContact CB-CG 4.34Å
959	R	96.4	Very high	94	Very high	37 Å²	37	51 Å²	51	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	157.1	178.2	77.6	-155.9	174.4	-173.5	-4.4	110.4	Y589 E961 Y1048 R1050	Y589-R959 PolarHBondContact O-NH1 3.46Å; R959-E961 HydrophobicContact CG-CG 4.4Å; R959-E961 IonicContact CZ-OE1 2.74Å; R959-E961 IonicContact NE-OE1 3.16Å; R959-E961 PolarHBondContact NE-OE1 3.16Å; R959-E961 IonicContact NH2-OE1 3.52Å; R959-E961 PolarHBondContact NH2-OE1 3.32Å; R959-Y1048 CarbonylContact C-O 3.58Å; R959-Y1048 VanDerWaalsContact CA-O 3.3Å; R959-Y1048 WeakPolarHBondContact CA-O 3.14Å; R959-Y1048 HydrophobicContact CB-CD1 4.12Å; R959-Y1048 HydrophobicContact CB-CD2 3.96Å; R959-Y1048 HydrophobicContact CB-CE1 3.79Å; R959-Y1048 HydrophobicContact CB-CE2 3.63Å; R959-Y1048 HydrophobicContact CB-CG 4.21Å; R959-Y1048 WeakPolarHBondContact CB-O 3.48Å; R959-Y1048 WeakPolarHBondContact CD-OH 3.33Å; R959-Y1048 HydrophobicContact CG-CE2 4.22Å; R959-Y1048 PolarHBondContact NH1-OH 2.86Å; R959-R1050 HydrophobicContact CG-CB 4.2Å
960	F	96.4	Very high	94.1	Very high	17 Å²	17	51.3 Å²	51.3	8%	0.075	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.5	167.6	-59.4	-66.8	0	0	0	110.1	Y949 F975 L979 V1046 P1047 Y1048 I1049 R1050	Y949-F960 HydrophobicContact CE1-CZ 4.23Å; F960-F975 AromaticContact CD2-CE1 4Å; F960-F975 HydrophobicContact CD2-CE1 4Å; F960-F975 AromaticContact CD2-CZ 3.64Å; F960-F975 HydrophobicContact CD2-CZ 3.64Å; F960-F975 AromaticContact CE2-CE1 3.7Å; F960-F975 HydrophobicContact CE2-CE1 3.7Å; F960-F975 AromaticContact CE2-CZ 3.85Å; F960-F975 HydrophobicContact CE2-CZ 3.85Å; F960-F975 HydrophobicContact CG-CZ 4.14Å; F960-F975 HydrophobicContact CZ-CE1 4.17Å; F960-L979 HydrophobicContact CD1-CD1 3.94Å; F960-L979 HydrophobicContact CE1-CD1 3.44Å; F960-L979 VanDerWaalsContact CE1-CD1 3.44Å; F960-L979 HydrophobicContact CE1-CD2 4.49Å; F960-L979 HydrophobicContact CZ-CD1 3.86Å; F960-V1046 HydrophobicContact CE2-CB 4.11Å; F960-V1046 HydrophobicContact CZ-CB 4.42Å; F960-P1047 HydrophobicContact CD2-CB 4.15Å; F960-P1047 VanDerWaalsContact CD2-O 3.29Å; F960-P1047 WeakPolarHBondContact CD2-O 3.42Å; F960-P1047 HydrophobicContact CE2-CB 3.98Å; F960-P1047 HydrophobicContact CE2-CG 4.09Å; F960-P1047 VanDerWaalsContact CE2-O 3.24Å; F960-P1047 WeakPolarHBondContact CE2-O 3.11Å; F960-P1047 HydrophobicContact CZ-CB 4.45Å; F960-P1047 HydrophobicContact CZ-CG 4.1Å; F960-Y1048 PolarHBondContact N-O 2.81Å; F960-I1049 HydrophobicContact CB-CG1 4.28Å; F960-I1049 HydrophobicContact CD2-CG1 4.13Å; F960-R1050 PolarHBondContact O-N 3.29Å
961	E	94.6	Very high	94.3	Very high	85 Å²	85	47 Å²	47	40%	0.397	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	107.8	175.2	-66.8	-79.2	-172.1	0	0	108.8	R591 R959 R1050	R591-E961 IonicContact NH1-OE1 2.9Å; R959-E961 HydrophobicContact CG-CG 4.4Å; R959-E961 IonicContact CZ-OE1 2.74Å; R959-E961 IonicContact NE-OE1 3.16Å; R959-E961 PolarHBondContact NE-OE1 3.16Å; R959-E961 IonicContact NH2-OE1 3.52Å; R959-E961 PolarHBondContact NH2-OE1 3.32Å; E961-R1050 IonicContact OE1-NH1 2.77Å; E961-R1050 WeakPolarHBondContact OE2-CD 2.94Å; E961-R1050 IonicContact OE2-CZ 2.67Å; E961-R1050 IonicContact OE2-NE 2.8Å; E961-R1050 IonicContact OE2-NH1 3.2Å; E961-R1050 PolarHBondContact OE2-NH1 3.4Å
962	L	94.6	Very high	94.6	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.063	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.3	178.9	-60.2	-177.5	0	0	0	110.2	M966 L971 Y974 F975 I1049 R1050 Y1051 V1052	L962-M966 HydrophobicContact CD1-SD 4.32Å; L962-L971 HydrophobicContact CD1-CD1 4.37Å; L962-Y974 HydrophobicContact CD1-CD1 4.28Å; L962-Y974 HydrophobicContact CD1-CE1 4.4Å; L962-Y974 HydrophobicContact CD2-CD1 3.98Å; L962-Y974 HydrophobicContact CD2-CE1 3.59Å; L962-Y974 HydrophobicContact CD2-CE2 4.24Å; L962-Y974 HydrophobicContact CD2-CG 4.48Å; L962-F975 HydrophobicContact CD1-CE2 4.26Å; L962-I1049 HydrophobicContact CB-CG2 4.29Å; L962-I1049 HydrophobicContact CD1-CG2 3.72Å; L962-I1049 HydrophobicContact CG-CG2 4.05Å; L962-R1050 PolarHBondContact N-O 2.85Å; L962-Y1051 HydrophobicContact CB-CD2 3.97Å; L962-Y1051 CarbonylContact O-C 3.54Å; L962-Y1051 WeakPolarHBondContact O-CA 3.31Å; L962-V1052 PolarHBondContact O-N 3.4Å
963	S	91.6	Very high	94.7	Very high	83 Å²	83	40.2 Å²	40.2	58%	0.58	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.5	178	57.7	0	0	0	0	111.6
964	G	80.9	Confident	94.7	Very high	17 Å²	17	39.5 Å²	39.5	18%	0.175	22%	0.22	C	C	.	.	S	Bend	trans	-79.5	172.2	178	0	0	0	0	0	115.6	Y1051 V1052	G964-Y1051 WeakPolarHBondContact CA-OH 3.45Å; G964-V1052 PolarHBondContact N-O 3.11Å
965	P	87.9	Confident	94.7	Very high	99 Å²	99	38.6 Å²	38.6	64%	0.643	22%	0.216	S	C	*	.	S	Bend	cis	-83.8	131.6	2.8	28.8	-17.4	0	0	0	110.3	E1054	P965-E1054 VanDerWaalsContact CD-CD 3.44Å; P965-E1054 VanDerWaalsContact CD-OE1 3.23Å; P965-E1054 WeakPolarHBondContact CD-OE1 3.27Å
966	M	93.2	Very high	94.7	Very high	37 Å²	37	43.2 Å²	43.2	18%	0.182	24%	0.235	C	C	.	.			trans	-134.1	135	-178.5	-170.9	177.1	-77	0	0	108.5	L962 L971 L1011 Y1051	L962-M966 HydrophobicContact CD1-SD 4.32Å; M966-L971 HydrophobicContact CG-CB 4.37Å; M966-L971 HydrophobicContact SD-CB 3.82Å; M966-L971 HydrophobicContact SD-CG 4.48Å; M966-L1011 HydrophobicContact CB-CD1 4.27Å; M966-L1011 HydrophobicContact CG-CD1 4.46Å; M966-L1011 PolarHBondContact O-N 2.96Å; M966-L1011 HydrophobicContact SD-CD1 4.49Å; M966-Y1051 HydrophobicContact CB-CE2 3.77Å; M966-Y1051 WeakPolarHBondContact CB-OH 2.85Å; M966-Y1051 PolarHBondContact N-OH 2.69Å
967	T	96.4	Very high	94.7	Very high	58 Å²	58	45.6 Å²	45.6	36%	0.356	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-82.7	161.2	171.3	58.4	0	0	0	0	110.3	Q969 G970 L971 M1009	T967-Q969 PolarHBondContact O-N 2.81Å; T967-G970 PolarHBondContact O-N 3.21Å; T967-G970 VanDerWaalsContact O-N 3.1Å; T967-G970 PolarHBondContact OG1-N 2.94Å; T967-L971 PolarHBondContact O-N 3.43Å; T967-M1009 CarbonylContact C-O 3.55Å; T967-M1009 VanDerWaalsContact CA-O 3.23Å; T967-M1009 WeakPolarHBondContact CA-O 3.46Å; T967-M1009 WeakPolarHBondContact CB-O 3.38Å
968	L	96.5	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-40.1	172.1	176.1	66.4	0	0	0	111.3	G970 L971 I972 L986 Y994 R1006 L1007 M1009 L1011 L1014	L968-G970 PolarHBondContact O-N 3.17Å; L968-L971 PolarHBondContact O-N 3.34Å; L968-I972 HydrophobicContact CD1-CD1 4.39Å; L968-I972 HydrophobicContact CD1-CG1 4.49Å; L968-I972 HydrophobicContact CG-CD1 4.22Å; L968-I972 WeakPolarHBondContact O-CG1 3.45Å; L968-I972 PolarHBondContact O-N 3.05Å; L968-L986 HydrophobicContact CD1-CD2 3.58Å; L968-Y994 HydrophobicContact CD2-CD2 3.79Å; L968-Y994 HydrophobicContact CD2-CG 4.04Å; L968-R1006 WeakPolarHBondContact CB-O 3.36Å; L968-R1006 HydrophobicContact CD2-CB 4.07Å; L968-L1007 HydrophobicContact CD2-CD2 4.11Å; L968-L1007 HydrophobicContact CG-CD2 4.13Å; L968-M1009 PolarHBondContact N-O 2.87Å; L968-L1011 HydrophobicContact CB-CD2 4.27Å; L968-L1011 HydrophobicContact CD1-CD2 4.22Å; L968-L1014 HydrophobicContact CB-CD2 4.01Å; L968-L1014 HydrophobicContact CD1-CD2 4.19Å; L968-L1014 HydrophobicContact CD2-CD2 3.84Å; L968-L1014 HydrophobicContact CG-CD2 4.23Å
969	Q	96.3	Very high	94.3	Very high	70 Å²	70	48.5 Å²	48.5	33%	0.327	27%	0.269	S	S	.	.	H	α-helix	trans	-59.4	-45.9	173.1	-173.4	64.3	62.8	0	0	111.5	T967 L971 I972 D973 L1007	T967-Q969 PolarHBondContact O-N 2.81Å; Q969-L971 VanDerWaalsContact C-N 3.28Å; Q969-L971 PolarHBondContact O-N 2.87Å; Q969-I972 PolarHBondContact O-N 2.97Å; Q969-I972 VanDerWaalsContact O-N 3.15Å; Q969-D973 PolarHBondContact NE2-OD1 3.36Å; Q969-D973 WeakPolarHBondContact O-CB 3.36Å; Q969-D973 PolarHBondContact O-N 2.86Å; Q969-L1007 HydrophobicContact CB-CB 4.35Å; Q969-L1007 HydrophobicContact CB-CD2 4.44Å; Q969-L1007 WeakPolarHBondContact CB-O 3.48Å; Q969-L1007 PolarHBondContact N-O 2.92Å
970	G	95.8	Very high	94.3	Very high	25 Å²	25	51.4 Å²	51.4	26%	0.258	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-34.5	177.9	0	0	0	0	0	113.4	T967 L968 Y974	T967-G970 PolarHBondContact O-N 3.21Å; T967-G970 VanDerWaalsContact O-N 3.1Å; T967-G970 PolarHBondContact OG1-N 2.94Å; L968-G970 PolarHBondContact O-N 3.17Å; G970-Y974 WeakPolarHBondContact O-CB 3.18Å; G970-Y974 PolarHBondContact O-N 2.82Å
971	L	96.7	Very high	94.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-47.4	172.6	-179.1	149.5	0	0	0	111.2	L962 M966 T967 L968 Q969 D973 Y974 F975 V983 L986 L1011 I1049	L962-L971 HydrophobicContact CD1-CD1 4.37Å; M966-L971 HydrophobicContact CG-CB 4.37Å; M966-L971 HydrophobicContact SD-CB 3.82Å; M966-L971 HydrophobicContact SD-CG 4.48Å; T967-L971 PolarHBondContact O-N 3.43Å; L968-L971 PolarHBondContact O-N 3.34Å; Q969-L971 VanDerWaalsContact C-N 3.28Å; Q969-L971 PolarHBondContact O-N 2.87Å; L971-D973 VanDerWaalsContact C-N 3.33Å; L971-D973 PolarHBondContact O-N 2.91Å; L971-Y974 WeakPolarHBondContact O-CB 3.32Å; L971-Y974 PolarHBondContact O-N 2.87Å; L971-F975 HydrophobicContact CD2-CD2 4.03Å; L971-F975 HydrophobicContact CD2-CE2 4.18Å; L971-F975 HydrophobicContact CG-CD2 4.26Å; L971-F975 HydrophobicContact CG-CE2 4.27Å; L971-F975 WeakPolarHBondContact O-CD2 3.34Å; L971-F975 PolarHBondContact O-N 2.86Å; L971-V983 HydrophobicContact CD2-CG2 4.31Å; L971-L986 HydrophobicContact CD1-CD2 4.42Å; L971-L986 HydrophobicContact CD2-CD1 4.39Å; L971-L986 HydrophobicContact CD2-CD2 4.44Å; L971-L1011 HydrophobicContact CB-CD1 4.36Å; L971-L1011 HydrophobicContact CD1-CD1 3.59Å; L971-L1011 HydrophobicContact CD1-CD2 4.14Å; L971-I1049 HydrophobicContact CD1-CD1 3.9Å; L971-I1049 HydrophobicContact CD2-CD1 4.43Å; L971-I1049 HydrophobicContact CG-CD1 4.49Å
972	I	96.3	Very high	94.4	Very high	20 Å²	20	48.8 Å²	48.8	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-43.9	179.2	-67.4	175.6	0	0	0	110.7	L968 Q969 Y974 F975 K976 V983 Y994 L1007	L968-I972 HydrophobicContact CD1-CD1 4.39Å; L968-I972 HydrophobicContact CD1-CG1 4.49Å; L968-I972 HydrophobicContact CG-CD1 4.22Å; L968-I972 WeakPolarHBondContact O-CG1 3.45Å; L968-I972 PolarHBondContact O-N 3.05Å; Q969-I972 PolarHBondContact O-N 2.97Å; Q969-I972 VanDerWaalsContact O-N 3.15Å; I972-Y974 VanDerWaalsContact C-N 3.34Å; I972-Y974 PolarHBondContact O-N 3.41Å; I972-F975 PolarHBondContact O-N 3.28Å; I972-K976 WeakPolarHBondContact O-CB 3.19Å; I972-K976 PolarHBondContact O-N 2.9Å; I972-V983 HydrophobicContact CG1-CB 4.09Å; I972-V983 HydrophobicContact CG1-CG1 4.33Å; I972-V983 HydrophobicContact CG1-CG2 4.45Å; I972-Y994 HydrophobicContact CD1-CD1 4.19Å; I972-Y994 HydrophobicContact CD1-CD2 4.35Å; I972-Y994 HydrophobicContact CD1-CE1 3.85Å; I972-Y994 HydrophobicContact CD1-CE2 4Å; I972-Y994 HydrophobicContact CD1-CG 4.43Å; I972-L1007 HydrophobicContact CD1-CD2 3.49Å; I972-L1007 VanDerWaalsContact CD1-CD2 3.49Å
973	D	96.2	Very high	94.5	Very high	64 Å²	64	48.7 Å²	48.7	34%	0.342	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-40.2	177.4	-64.6	-17.5	0	0	0	110.8	Q969 L971 F975 K976 D977	Q969-D973 PolarHBondContact NE2-OD1 3.36Å; Q969-D973 WeakPolarHBondContact O-CB 3.36Å; Q969-D973 PolarHBondContact O-N 2.86Å; L971-D973 VanDerWaalsContact C-N 3.33Å; L971-D973 PolarHBondContact O-N 2.91Å; D973-F975 PolarHBondContact O-N 3.07Å; D973-K976 PolarHBondContact O-N 3.38Å; D973-D977 VanDerWaalsContact O-CB 3.25Å; D973-D977 WeakPolarHBondContact O-CB 3.37Å; D973-D977 PolarHBondContact O-N 3.02Å
974	Y	96	Very high	94.7	Very high	75 Å²	75	46 Å²	46	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-57.9	-50.3	174.2	169.9	-94.7	0	0	0	112.1	L962 G970 L971 I972 K976 S978 L979	L962-Y974 HydrophobicContact CD1-CD1 4.28Å; L962-Y974 HydrophobicContact CD1-CE1 4.4Å; L962-Y974 HydrophobicContact CD2-CD1 3.98Å; L962-Y974 HydrophobicContact CD2-CE1 3.59Å; L962-Y974 HydrophobicContact CD2-CE2 4.24Å; L962-Y974 HydrophobicContact CD2-CG 4.48Å; G970-Y974 WeakPolarHBondContact O-CB 3.18Å; G970-Y974 PolarHBondContact O-N 2.82Å; L971-Y974 WeakPolarHBondContact O-CB 3.32Å; L971-Y974 PolarHBondContact O-N 2.87Å; I972-Y974 VanDerWaalsContact C-N 3.34Å; I972-Y974 PolarHBondContact O-N 3.41Å; Y974-K976 VanDerWaalsContact C-N 3.32Å; Y974-K976 PolarHBondContact O-N 2.93Å; Y974-S978 WeakPolarHBondContact O-CA 3.44Å; Y974-S978 WeakPolarHBondContact O-CB 3.5Å; Y974-S978 PolarHBondContact O-N 2.97Å; Y974-S978 PolarHBondContact O-OG 3.15Å; Y974-L979 HydrophobicContact CE1-CD1 3.91Å; Y974-L979 HydrophobicContact CE1-CG 4.29Å
975	F	96.6	Very high	95.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-43.4	178.6	-90.6	-103.5	0	0	0	111.4	F960 L962 L971 I972 D973 L979 K980 L981 V983 V1034 I1049	F960-F975 AromaticContact CD2-CE1 4Å; F960-F975 HydrophobicContact CD2-CE1 4Å; F960-F975 AromaticContact CD2-CZ 3.64Å; F960-F975 HydrophobicContact CD2-CZ 3.64Å; F960-F975 AromaticContact CE2-CE1 3.7Å; F960-F975 HydrophobicContact CE2-CE1 3.7Å; F960-F975 AromaticContact CE2-CZ 3.85Å; F960-F975 HydrophobicContact CE2-CZ 3.85Å; F960-F975 HydrophobicContact CG-CZ 4.14Å; F960-F975 HydrophobicContact CZ-CE1 4.17Å; L962-F975 HydrophobicContact CD1-CE2 4.26Å; L971-F975 HydrophobicContact CD2-CD2 4.03Å; L971-F975 HydrophobicContact CD2-CE2 4.18Å; L971-F975 HydrophobicContact CG-CD2 4.26Å; L971-F975 HydrophobicContact CG-CE2 4.27Å; L971-F975 WeakPolarHBondContact O-CD2 3.34Å; L971-F975 PolarHBondContact O-N 2.86Å; I972-F975 PolarHBondContact O-N 3.28Å; D973-F975 PolarHBondContact O-N 3.07Å; F975-L979 HydrophobicContact CD1-CD1 4Å; F975-L979 HydrophobicContact CE1-CD1 4.11Å; F975-L979 HydrophobicContact CG-CD1 4.34Å; F975-L979 CarbonylContact O-C 3.53Å; F975-L979 WeakPolarHBondContact O-CA 3.27Å; F975-L979 VanDerWaalsContact O-CB 3.31Å; F975-L979 WeakPolarHBondContact O-CB 3.38Å; F975-L979 PolarHBondContact O-N 2.93Å; F975-L979 VanDerWaalsContact O-N 3.1Å; F975-K980 PolarHBondContact O-N 3.19Å; F975-K980 VanDerWaalsContact O-N 3.08Å; F975-L981 CarbonylContact C-O 3.54Å; F975-L981 HydrophobicContact CB-CB 4.48Å; F975-L981 HydrophobicContact CD1-CB 4.14Å; F975-L981 HydrophobicContact CD1-CD1 4.22Å; F975-L981 PolarHBondContact O-N 3.36Å; F975-V983 HydrophobicContact CB-CG2 3.57Å; F975-V983 HydrophobicContact CD1-CG2 3.97Å; F975-V983 HydrophobicContact CD2-CG2 4.12Å; F975-V983 HydrophobicContact CG-CG2 3.62Å; F975-V1034 HydrophobicContact CE1-CG1 3.99Å; F975-V1034 HydrophobicContact CE1-CG2 4.3Å; F975-V1034 HydrophobicContact CZ-CG1 4Å; F975-V1034 HydrophobicContact CZ-CG2 4.46Å; F975-I1049 HydrophobicContact CE2-CD1 3.52Å; F975-I1049 HydrophobicContact CE2-CG1 4.2Å; F975-I1049 HydrophobicContact CZ-CD1 3.5Å; F975-I1049 HydrophobicContact CZ-CG1 3.81Å
976	K	95.1	Very high	95.9	Very high	110 Å²	110	42.9 Å²	42.9	48%	0.478	23%	0.225	S	C	.	.	H	α-helix	trans	-68.3	-49.8	-179.5	-174.9	177.6	-179	178.6	0	112.4	I972 D973 Y974 K980 L981	I972-K976 WeakPolarHBondContact O-CB 3.19Å; I972-K976 PolarHBondContact O-N 2.9Å; D973-K976 PolarHBondContact O-N 3.38Å; Y974-K976 VanDerWaalsContact C-N 3.32Å; Y974-K976 PolarHBondContact O-N 2.93Å; K976-K980 WeakPolarHBondContact O-CA 3.44Å; K976-K980 PolarHBondContact O-N 3.02Å; K976-L981 VanDerWaalsContact CA-O 3.26Å; K976-L981 WeakPolarHBondContact CA-O 3.34Å; K976-L981 PolarHBondContact N-O 3.2Å; K976-L981 VanDerWaalsContact N-O 3.12Å
977	D	95.4	Very high	96.1	Very high	100 Å²	100	42.1 Å²	42.1	54%	0.535	22%	0.224	S	C	.	.	H	α-helix	trans	-80.5	-40.8	-170.2	-66.9	-20.9	0	0	0	111.6	D973 K980	D973-D977 VanDerWaalsContact O-CB 3.25Å; D973-D977 WeakPolarHBondContact O-CB 3.37Å; D973-D977 PolarHBondContact O-N 3.02Å; D977-K980 PolarHBondContact O-NZ 2.63Å
978	S	93.5	Very high	95.9	Very high	76 Å²	76	40.6 Å²	40.6	53%	0.531	21%	0.212	S	C	.	.	H	α-helix	trans	-90.1	-37	-174.6	-49	0	0	0	0	112.9	Y974	Y974-S978 WeakPolarHBondContact O-CA 3.44Å; Y974-S978 WeakPolarHBondContact O-CB 3.5Å; Y974-S978 PolarHBondContact O-N 2.97Å; Y974-S978 PolarHBondContact O-OG 3.15Å
979	L	94.7	Very high	95.4	Very high	34 Å²	34	46 Å²	46	18%	0.178	24%	0.242	C	C	.	.	H	α-helix	trans	-109.3	-6.5	-175.1	-53.4	176.8	0	0	0	113.6	F960 Y974 F975 L981	F960-L979 HydrophobicContact CD1-CD1 3.94Å; F960-L979 HydrophobicContact CE1-CD1 3.44Å; F960-L979 VanDerWaalsContact CE1-CD1 3.44Å; F960-L979 HydrophobicContact CE1-CD2 4.49Å; F960-L979 HydrophobicContact CZ-CD1 3.86Å; Y974-L979 HydrophobicContact CE1-CD1 3.91Å; Y974-L979 HydrophobicContact CE1-CG 4.29Å; F975-L979 HydrophobicContact CD1-CD1 4Å; F975-L979 HydrophobicContact CE1-CD1 4.11Å; F975-L979 HydrophobicContact CG-CD1 4.34Å; F975-L979 CarbonylContact O-C 3.53Å; F975-L979 WeakPolarHBondContact O-CA 3.27Å; F975-L979 VanDerWaalsContact O-CB 3.31Å; F975-L979 WeakPolarHBondContact O-CB 3.38Å; F975-L979 PolarHBondContact O-N 2.93Å; F975-L979 VanDerWaalsContact O-N 3.1Å; L979-L981 HydrophobicContact CB-CB 4.35Å; L979-L981 HydrophobicContact CB-CD1 3.92Å; L979-L981 HydrophobicContact CB-CG 4.13Å; L979-L981 HydrophobicContact CD1-CD1 4.32Å; L979-L981 PolarHBondContact O-N 3.35Å
980	K	95.6	Very high	95	Very high	98 Å²	98	49.8 Å²	49.8	43%	0.426	27%	0.269	S	S	.	.			trans	59.1	25.9	-173.2	-51.8	-52.2	-178	-157.6	0	113.4	Y950 F975 K976 D977 E1039	Y950-K980 HydrophobicContact CE2-CB 4.11Å; Y950-K980 PolarHBondContact OH-O 2.85Å; F975-K980 PolarHBondContact O-N 3.19Å; F975-K980 VanDerWaalsContact O-N 3.08Å; K976-K980 WeakPolarHBondContact O-CA 3.44Å; K976-K980 PolarHBondContact O-N 3.02Å; D977-K980 PolarHBondContact O-NZ 2.63Å; K980-E1039 HydrophobicContact CB-CG 4.27Å
981	L	96.5	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.			trans	-106.9	129.4	-179.4	-70.1	170.5	0	0	0	110.5	Y949 Y950 F975 K976 L979 C1036 V1044 V1046	Y949-L981 HydrophobicContact CD2-CD1 3.83Å; Y949-L981 HydrophobicContact CD2-CD2 4.29Å; Y949-L981 HydrophobicContact CD2-CG 4.32Å; Y949-L981 HydrophobicContact CE2-CD1 4Å; Y949-L981 HydrophobicContact CG-CD1 4.34Å; Y950-L981 HydrophobicContact CE2-CD2 3.95Å; Y950-L981 HydrophobicContact CE2-CG 4.42Å; F975-L981 CarbonylContact C-O 3.54Å; F975-L981 HydrophobicContact CB-CB 4.48Å; F975-L981 HydrophobicContact CD1-CB 4.14Å; F975-L981 HydrophobicContact CD1-CD1 4.22Å; F975-L981 PolarHBondContact O-N 3.36Å; K976-L981 VanDerWaalsContact CA-O 3.26Å; K976-L981 WeakPolarHBondContact CA-O 3.34Å; K976-L981 PolarHBondContact N-O 3.2Å; K976-L981 VanDerWaalsContact N-O 3.12Å; L979-L981 HydrophobicContact CB-CB 4.35Å; L979-L981 HydrophobicContact CB-CD1 3.92Å; L979-L981 HydrophobicContact CB-CG 4.13Å; L979-L981 HydrophobicContact CD1-CD1 4.32Å; L979-L981 PolarHBondContact O-N 3.35Å; L981-C1036 HydrophobicContact CB-CB 4.06Å; L981-C1036 HydrophobicContact CD2-CB 4.11Å; L981-C1036 HydrophobicContact CG-CB 4.48Å; L981-V1044 HydrophobicContact CD2-CG2 3.67Å; L981-V1046 HydrophobicContact CD1-CG1 3.73Å; L981-V1046 HydrophobicContact CD2-CG1 4.32Å
982	N	96	Very high	94.8	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.251	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.8	174.6	-64.1	-57.9	0	0	0	109.2	T984 C1036 S1037 D1038	N982-T984 PolarHBondContact O-N 3.09Å; N982-C1036 CarbonylContact O-C 3.52Å; N982-C1036 WeakPolarHBondContact O-CA 3.16Å; N982-S1037 PolarHBondContact N-O 3.43Å; N982-S1037 PolarHBondContact O-N 3.22Å; N982-D1038 PolarHBondContact ND2-O 2.77Å
983	V	96.6	Very high	94.8	Very high	9 Å²	9	52.6 Å²	52.6	6%	0.055	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	116.4	177.2	175.9	0	0	0	0	110.1	L971 I972 F975 Y994 V1034	L971-V983 HydrophobicContact CD2-CG2 4.31Å; I972-V983 HydrophobicContact CG1-CB 4.09Å; I972-V983 HydrophobicContact CG1-CG1 4.33Å; I972-V983 HydrophobicContact CG1-CG2 4.45Å; F975-V983 HydrophobicContact CB-CG2 3.57Å; F975-V983 HydrophobicContact CD1-CG2 3.97Å; F975-V983 HydrophobicContact CD2-CG2 4.12Å; F975-V983 HydrophobicContact CG-CG2 3.62Å; V983-Y994 HydrophobicContact CG1-CD1 4.23Å; V983-Y994 HydrophobicContact CG1-CE1 4.37Å; V983-V1034 HydrophobicContact CB-CG2 4.47Å; V983-V1034 HydrophobicContact CG1-CG2 3.84Å; V983-V1034 HydrophobicContact CG2-CG2 4.01Å
984	T	96.1	Very high	94.8	Very high	27 Å²	27	50.8 Å²	50.8	17%	0.166	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-33.5	179.3	57.9	0	0	0	0	111.7	N982 A995 F996 C1035	N982-T984 PolarHBondContact O-N 3.09Å; T984-A995 CarbonylContact O-C 3.57Å; T984-A995 VanDerWaalsContact O-CA 3.29Å; T984-A995 WeakPolarHBondContact O-CA 3.02Å; T984-F996 PolarHBondContact O-N 3.11Å; T984-C1035 PolarHBondContact N-O 2.98Å; T984-C1035 VanDerWaalsContact OG1-C 3.29Å; T984-C1035 WeakPolarHBondContact OG1-CB 3.44Å; T984-C1035 PolarHBondContact OG1-O 3.04Å; T984-C1035 VanDerWaalsContact OG1-O 3.05Å
985	M	96.8	Very high	94.8	Very high	51 Å²	51	47.2 Å²	47.2	25%	0.251	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.1	178.4	-170	168.7	64.5	0	0	111.2	M992 Y994 A995 V1034 C1035	M985-M992 HydrophobicContact CG-CG 4.27Å; M985-M992 HydrophobicContact SD-CE 3.78Å; M985-M992 HydrophobicContact SD-CG 4.36Å; M985-M992 HydrophobicContact SD-SD 4.22Å; M985-Y994 CarbonylContact C-O 3.08Å; M985-Y994 WeakPolarHBondContact CA-O 3.35Å; M985-Y994 WeakPolarHBondContact CG-O 3.41Å; M985-A995 HydrophobicContact CB-CB 4.49Å; M985-A995 HydrophobicContact CG-CB 4.17Å; M985-V1034 WeakPolarHBondContact O-CA 2.92Å; M985-C1035 HydrophobicContact CB-CB 4.02Å; M985-C1035 VanDerWaalsContact CE-SG 3.51Å; M985-C1035 PolarHBondContact N-O 3.48Å; M985-C1035 PolarHBondContact O-N 2.87Å
986	L	97.5	Very high	94.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129	172.5	-171.5	76.1	0	0	0	109.1	L968 L971 L993 Y994 L1011 F1032 D1033 V1034 I1049	L968-L986 HydrophobicContact CD1-CD2 3.58Å; L971-L986 HydrophobicContact CD1-CD2 4.42Å; L971-L986 HydrophobicContact CD2-CD1 4.39Å; L971-L986 HydrophobicContact CD2-CD2 4.44Å; L986-L993 HydrophobicContact CD2-CB 4.44Å; L986-L993 HydrophobicContact CD2-CD1 4.28Å; L986-L993 WeakPolarHBondContact O-CA 3.38Å; L986-L993 WeakPolarHBondContact O-CB 3.49Å; L986-L993 PolarHBondContact O-N 3.24Å; L986-Y994 PolarHBondContact N-O 3.06Å; L986-Y994 PolarHBondContact O-N 3.46Å; L986-L1011 HydrophobicContact CD2-CD2 4.28Å; L986-F1032 HydrophobicContact CD1-CB 3.74Å; L986-F1032 HydrophobicContact CD1-CG 4.32Å; L986-F1032 HydrophobicContact CG-CB 4.37Å; L986-D1033 WeakPolarHBondContact CA-O 3.28Å; L986-V1034 HydrophobicContact CD1-CB 3.95Å; L986-V1034 HydrophobicContact CD1-CG2 4.11Å; L986-I1049 HydrophobicContact CD1-CD1 4.06Å
987	S	96.8	Very high	94.4	Very high	21 Å²	21	54.1 Å²	54.1	15%	0.147	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	156.8	176.7	44.6	0	0	0	0	112.1	S991 F1032 D1033	S987-S991 VanDerWaalsContact CA-O 3.29Å; S987-S991 WeakPolarHBondContact CA-O 3.22Å; S987-S991 WeakPolarHBondContact CB-O 3.34Å; S987-F1032 VanDerWaalsContact O-CA 3.3Å; S987-F1032 WeakPolarHBondContact O-CA 3.23Å; S987-D1033 PolarHBondContact N-O 3.36Å; S987-D1033 PolarHBondContact O-N 3.48Å
988	Q	93.8	Very high	94.3	Very high	25 Å²	25	50.1 Å²	50.1	12%	0.117	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	113.5	167.7	-172.8	-80.1	-44.9	0	0	106.4	V990 S991 L993 V1015 N1019 V1031 F1032	Q988-V990 PolarHBondContact O-N 3.46Å; Q988-S991 PolarHBondContact N-O 3.3Å; Q988-S991 WeakPolarHBondContact O-CB 3.39Å; Q988-S991 PolarHBondContact O-N 2.82Å; Q988-L993 HydrophobicContact CB-CD1 3.9Å; Q988-L993 HydrophobicContact CB-CD2 4.48Å; Q988-L993 HydrophobicContact CB-CG 4.29Å; Q988-V1015 HydrophobicContact CB-CG2 4.5Å; Q988-V1015 HydrophobicContact CG-CG2 4.49Å; Q988-N1019 PolarHBondContact OE1-ND2 2.7Å; Q988-V1031 WeakPolarHBondContact CG-O 3.39Å; Q988-F1032 HydrophobicContact CB-CD1 3.9Å; Q988-F1032 HydrophobicContact CB-CE1 4.07Å; Q988-F1032 HydrophobicContact CG-CD1 4.27Å; Q988-F1032 HydrophobicContact CG-CE1 4.23Å
989	D	85.3	Confident	94.4	Very high	115 Å²	115	50.9 Å²	50.9	62%	0.615	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	-123.9	-167.7	-55.4	-34.3	0	0	0	111.4	S991	D989-S991 VanDerWaalsContact C-N 3.28Å; D989-S991 PolarHBondContact O-N 3.45Å
990	V	87.8	Confident	94.3	Very high	149 Å²	149	54.4 Å²	54.4	90%	0.903	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.7	179.4	-61.7	0	0	0	0	113.8	Q988	Q988-V990 PolarHBondContact O-N 3.46Å
991	S	92.8	Very high	94.1	Very high	28 Å²	28	53.4 Å²	53.4	20%	0.196	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.1	-172.7	-75.6	0	0	0	0	112.4	S987 Q988 D989 L993 N1019	S987-S991 VanDerWaalsContact CA-O 3.29Å; S987-S991 WeakPolarHBondContact CA-O 3.22Å; S987-S991 WeakPolarHBondContact CB-O 3.34Å; Q988-S991 PolarHBondContact N-O 3.3Å; Q988-S991 WeakPolarHBondContact O-CB 3.39Å; Q988-S991 PolarHBondContact O-N 2.82Å; D989-S991 VanDerWaalsContact C-N 3.28Å; D989-S991 PolarHBondContact O-N 3.45Å; S991-L993 PolarHBondContact O-N 3.47Å; S991-N1019 WeakPolarHBondContact CB-OD1 3.41Å; S991-N1019 PolarHBondContact OG-OD1 2.91Å
992	M	94.9	Very high	94	Very high	76 Å²	76	57.5 Å²	57.5	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	109.7	175.3	-165.7	-173	-66.1	0	0	111.5	M985 A995 F997 M998 R1006	M985-M992 HydrophobicContact CG-CG 4.27Å; M985-M992 HydrophobicContact SD-CE 3.78Å; M985-M992 HydrophobicContact SD-CG 4.36Å; M985-M992 HydrophobicContact SD-SD 4.22Å; M992-A995 HydrophobicContact SD-CB 3.79Å; M992-F997 HydrophobicContact CE-CZ 4.19Å; M992-F997 HydrophobicContact SD-CE2 4.25Å; M992-F997 HydrophobicContact SD-CZ 3.97Å; M992-M998 HydrophobicContact CB-CE 4.17Å; M992-M998 HydrophobicContact CG-CE 3.52Å; M992-M998 HydrophobicContact SD-CE 3.56Å; M992-M998 VanDerWaalsContact SD-CE 3.56Å; M992-R1006 PolarHBondContact O-NH1 3.29Å
993	L	96.3	Very high	93.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-40.4	-177.8	-54.9	-176.3	0	0	0	111.7	L986 Q988 S991 R1006 L1014 V1015 V1018 F1032	L986-L993 HydrophobicContact CD2-CB 4.44Å; L986-L993 HydrophobicContact CD2-CD1 4.28Å; L986-L993 WeakPolarHBondContact O-CA 3.38Å; L986-L993 WeakPolarHBondContact O-CB 3.49Å; L986-L993 PolarHBondContact O-N 3.24Å; Q988-L993 HydrophobicContact CB-CD1 3.9Å; Q988-L993 HydrophobicContact CB-CD2 4.48Å; Q988-L993 HydrophobicContact CB-CG 4.29Å; S991-L993 PolarHBondContact O-N 3.47Å; L993-R1006 VanDerWaalsContact O-CD 3.25Å; L993-R1006 WeakPolarHBondContact O-CD 3.49Å; L993-R1006 PolarHBondContact O-NH1 2.74Å; L993-L1014 HydrophobicContact CB-CD2 4Å; L993-L1014 HydrophobicContact CB-CG 4.29Å; L993-V1015 HydrophobicContact CD1-CG2 3.76Å; L993-V1015 HydrophobicContact CD2-CG2 4.18Å; L993-V1018 HydrophobicContact CD2-CB 3.89Å; L993-V1018 HydrophobicContact CD2-CG1 4.03Å; L993-V1018 HydrophobicContact CD2-CG2 3.84Å; L993-F1032 HydrophobicContact CD1-CD1 3.6Å; L993-F1032 HydrophobicContact CD1-CE1 3.4Å
994	Y	97.2	Very high	93.6	Very high	26 Å²	26	64.4 Å²	64.4	10%	0.102	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.6	178.8	172.9	-97	0	0	0	110.7	L968 I972 V983 M985 L986 R1003 L1007	L968-Y994 HydrophobicContact CD2-CD2 3.79Å; L968-Y994 HydrophobicContact CD2-CG 4.04Å; I972-Y994 HydrophobicContact CD1-CD1 4.19Å; I972-Y994 HydrophobicContact CD1-CD2 4.35Å; I972-Y994 HydrophobicContact CD1-CE1 3.85Å; I972-Y994 HydrophobicContact CD1-CE2 4Å; I972-Y994 HydrophobicContact CD1-CG 4.43Å; V983-Y994 HydrophobicContact CG1-CD1 4.23Å; V983-Y994 HydrophobicContact CG1-CE1 4.37Å; M985-Y994 CarbonylContact C-O 3.08Å; M985-Y994 WeakPolarHBondContact CA-O 3.35Å; M985-Y994 WeakPolarHBondContact CG-O 3.41Å; L986-Y994 PolarHBondContact N-O 3.06Å; L986-Y994 PolarHBondContact O-N 3.46Å; Y994-R1003 HydrophobicContact CE2-CG 4.29Å; Y994-L1007 HydrophobicContact CE2-CD2 4.16Å
995	A	95.9	Very high	93.6	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	147.8	163.6	0	0	0	0	0	110	T984 M985 M992 F997 M998	T984-A995 CarbonylContact O-C 3.57Å; T984-A995 VanDerWaalsContact O-CA 3.29Å; T984-A995 WeakPolarHBondContact O-CA 3.02Å; M985-A995 HydrophobicContact CB-CB 4.49Å; M985-A995 HydrophobicContact CG-CB 4.17Å; M992-A995 HydrophobicContact SD-CB 3.79Å; A995-F997 HydrophobicContact CB-CD1 3.99Å; A995-F997 HydrophobicContact CB-CD2 4.35Å; A995-F997 HydrophobicContact CB-CE1 3.59Å; A995-F997 HydrophobicContact CB-CE2 3.99Å; A995-F997 HydrophobicContact CB-CG 4.35Å; A995-F997 HydrophobicContact CB-CZ 3.59Å; A995-F997 PolarHBondContact O-N 3.42Å; A995-M998 HydrophobicContact CB-CE 4.15Å; A995-M998 HydrophobicContact CB-CG 4.07Å; A995-M998 WeakPolarHBondContact O-CB 3.41Å; A995-M998 WeakPolarHBondContact O-CG 3.39Å; A995-M998 PolarHBondContact O-N 3.38Å
996	F	90.8	Very high	93.5	Very high	126 Å²	126	68 Å²	68	55%	0.553	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.3	-178.6	78.1	-88.1	0	0	0	112.6	T984 R1003	T984-F996 PolarHBondContact O-N 3.11Å; F996-R1003 PolarHBondContact O-NH1 2.77Å
997	F	92.3	Very high	93.5	Very high	128 Å²	128	69.5 Å²	69.5	56%	0.561	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.1	179.1	59.5	-100.9	0	0	0	114.7	M992 A995	M992-F997 HydrophobicContact CE-CZ 4.19Å; M992-F997 HydrophobicContact SD-CE2 4.25Å; M992-F997 HydrophobicContact SD-CZ 3.97Å; A995-F997 HydrophobicContact CB-CD1 3.99Å; A995-F997 HydrophobicContact CB-CD2 4.35Å; A995-F997 HydrophobicContact CB-CE1 3.59Å; A995-F997 HydrophobicContact CB-CE2 3.99Å; A995-F997 HydrophobicContact CB-CG 4.35Å; A995-F997 HydrophobicContact CB-CZ 3.59Å; A995-F997 PolarHBondContact O-N 3.42Å
998	M	93.4	Very high	93.3	Very high	16 Å²	16	72.3 Å²	72.3	8%	0.079	38%	0.379	C	S	.	.	S	Bend	trans	-64.4	150.9	173	-69.4	-169.9	-177.3	0	0	111.2	M992 A995 E1000 R1003	M992-M998 HydrophobicContact CB-CE 4.17Å; M992-M998 HydrophobicContact CG-CE 3.52Å; M992-M998 HydrophobicContact SD-CE 3.56Å; M992-M998 VanDerWaalsContact SD-CE 3.56Å; A995-M998 HydrophobicContact CB-CE 4.15Å; A995-M998 HydrophobicContact CB-CG 4.07Å; A995-M998 WeakPolarHBondContact O-CB 3.41Å; A995-M998 WeakPolarHBondContact O-CG 3.39Å; A995-M998 PolarHBondContact O-N 3.38Å; M998-E1000 PolarHBondContact O-N 2.83Å; M998-R1003 HydrophobicContact CB-CG 3.8Å; M998-R1003 PolarHBondContact O-NH1 2.91Å
999	P	95.4	Very high	93.4	Very high	92 Å²	92	73.1 Å²	73.1	60%	0.597	38%	0.384	S	S	*	.			trans	-53.5	138.5	176	-26.4	34.6	0	0	0	112.7	A1001 K1002 R1003	P999-A1001 VanDerWaalsContact C-N 3.29Å; P999-A1001 PolarHBondContact O-N 3.08Å; P999-K1002 HydrophobicContact CB-CB 4.46Å; P999-K1002 WeakPolarHBondContact O-CA 3.33Å; P999-K1002 WeakPolarHBondContact O-CB 3.42Å; P999-K1002 PolarHBondContact O-N 3.05Å; P999-R1003 PolarHBondContact O-N 3.17Å
1000	E	91.8	Very high	93.9	Very high	108 Å²	108	69 Å²	69	51%	0.505	36%	0.364	S	S	.	.	H	α-helix	trans	-55.4	-41	-172.7	-171.8	-172.6	157.3	0	0	113.2	M998 K1002 R1003 K1004	M998-E1000 PolarHBondContact O-N 2.83Å; E1000-K1002 VanDerWaalsContact C-N 3.31Å; E1000-K1002 PolarHBondContact O-N 3.24Å; E1000-R1003 PolarHBondContact O-N 3.33Å; E1000-K1004 HydrophobicContact CG-CD 4.34Å; E1000-K1004 PolarHBondContact O-N 2.94Å; E1000-K1004 VanDerWaalsContact OE1-CE 3.28Å; E1000-K1004 WeakPolarHBondContact OE1-CE 3.49Å; E1000-K1004 IonicContact OE1-NZ 3.17Å; E1000-K1004 PolarHBondContact OE1-NZ 3.29Å
1001	A	92.3	Very high	94.2	Very high	78 Å²	78	61.9 Å²	61.9	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-58	-44.1	176.6	0	0	0	0	0	111.9	P999 K1004 E1005	P999-A1001 VanDerWaalsContact C-N 3.29Å; P999-A1001 PolarHBondContact O-N 3.08Å; A1001-K1004 PolarHBondContact O-N 2.96Å; A1001-E1005 WeakPolarHBondContact O-CB 3.5Å; A1001-E1005 PolarHBondContact O-N 3.29Å
1002	K	93.4	Very high	94.2	Very high	86 Å²	86	64.1 Å²	64.1	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-69.8	-36.1	178.8	-169.7	174.6	-179.7	179.9	0	111.8	P999 E1000 R1006	P999-K1002 HydrophobicContact CB-CB 4.46Å; P999-K1002 WeakPolarHBondContact O-CA 3.33Å; P999-K1002 WeakPolarHBondContact O-CB 3.42Å; P999-K1002 PolarHBondContact O-N 3.05Å; E1000-K1002 VanDerWaalsContact C-N 3.31Å; E1000-K1002 PolarHBondContact O-N 3.24Å; K1002-R1006 WeakPolarHBondContact O-CB 3.4Å; K1002-R1006 VanDerWaalsContact O-CG 3.29Å; K1002-R1006 WeakPolarHBondContact O-CG 3.36Å; K1002-R1006 PolarHBondContact O-N 3.08Å; K1002-R1006 VanDerWaalsContact O-N 3.12Å
1003	R	93.8	Very high	94.1	Very high	67 Å²	67	64.3 Å²	64.3	25%	0.253	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-52	172.8	-64.9	-168.1	-49.5	-109.1	-0.6	110.6	Y994 F996 M998 P999 E1000 E1005 R1006 L1007	Y994-R1003 HydrophobicContact CE2-CG 4.29Å; F996-R1003 PolarHBondContact O-NH1 2.77Å; M998-R1003 HydrophobicContact CB-CG 3.8Å; M998-R1003 PolarHBondContact O-NH1 2.91Å; P999-R1003 PolarHBondContact O-N 3.17Å; E1000-R1003 PolarHBondContact O-N 3.33Å; R1003-E1005 VanDerWaalsContact C-N 3.31Å; R1003-E1005 PolarHBondContact O-N 2.78Å; R1003-R1006 PolarHBondContact O-N 3.49Å; R1003-L1007 WeakPolarHBondContact O-CB 3.14Å; R1003-L1007 WeakPolarHBondContact O-CG 3.34Å; R1003-L1007 PolarHBondContact O-N 3.38Å
1004	K	92.3	Very high	94	Very high	133 Å²	133	64.3 Å²	64.3	58%	0.578	33%	0.328	S	S	*	.	H	α-helix	trans	-56.9	-42.5	180	-80.5	176.7	168.4	164.9	0	112.6	E1000 A1001	E1000-K1004 HydrophobicContact CG-CD 4.34Å; E1000-K1004 PolarHBondContact O-N 2.94Å; E1000-K1004 VanDerWaalsContact OE1-CE 3.28Å; E1000-K1004 WeakPolarHBondContact OE1-CE 3.49Å; E1000-K1004 IonicContact OE1-NZ 3.17Å; E1000-K1004 PolarHBondContact OE1-NZ 3.29Å; A1001-K1004 PolarHBondContact O-N 2.96Å
1005	E	94.8	Very high	93.9	Very high	128 Å²	128	63.2 Å²	63.2	60%	0.598	32%	0.324	S	S	*	.	H	α-helix	trans	-58.5	-54.5	174.1	-177.8	-169.1	161	0	0	111.5	A1001 R1003 L1007 A1008	A1001-E1005 WeakPolarHBondContact O-CB 3.5Å; A1001-E1005 PolarHBondContact O-N 3.29Å; R1003-E1005 VanDerWaalsContact C-N 3.31Å; R1003-E1005 PolarHBondContact O-N 2.78Å; E1005-L1007 PolarHBondContact O-N 3.08Å; E1005-A1008 PolarHBondContact O-N 3.26Å
1006	R	96	Very high	93.8	Very high	27 Å²	27	65.6 Å²	65.6	10%	0.102	33%	0.334	C	S	.	.	H	α-helix	trans	-69.4	-33	-174.9	-69.2	-179.7	173.4	-160.3	-4.6	113.6	L968 M992 L993 K1002 R1003 A1008 M1009 L1014	L968-R1006 WeakPolarHBondContact CB-O 3.36Å; L968-R1006 HydrophobicContact CD2-CB 4.07Å; M992-R1006 PolarHBondContact O-NH1 3.29Å; L993-R1006 VanDerWaalsContact O-CD 3.25Å; L993-R1006 WeakPolarHBondContact O-CD 3.49Å; L993-R1006 PolarHBondContact O-NH1 2.74Å; K1002-R1006 WeakPolarHBondContact O-CB 3.4Å; K1002-R1006 VanDerWaalsContact O-CG 3.29Å; K1002-R1006 WeakPolarHBondContact O-CG 3.36Å; K1002-R1006 PolarHBondContact O-N 3.08Å; K1002-R1006 VanDerWaalsContact O-N 3.12Å; R1003-R1006 PolarHBondContact O-N 3.49Å; R1006-A1008 PolarHBondContact O-N 2.79Å; R1006-M1009 HydrophobicContact CG-SD 4.45Å; R1006-M1009 WeakPolarHBondContact O-CB 3.5Å; R1006-M1009 PolarHBondContact O-N 2.96Å; R1006-M1009 VanDerWaalsContact O-N 3.11Å; R1006-L1014 HydrophobicContact CB-CD1 3.77Å; R1006-L1014 HydrophobicContact CG-CD1 3.6Å
1007	L	95.6	Very high	93.9	Very high	31 Å²	31	62.3 Å²	62.3	16%	0.162	33%	0.331	C	S	.	.	H	α-helix	trans	-58.8	-35.2	178.9	-76.2	168.9	0	0	0	112.4	L968 Q969 I972 Y994 R1003 E1005	L968-L1007 HydrophobicContact CD2-CD2 4.11Å; L968-L1007 HydrophobicContact CG-CD2 4.13Å; Q969-L1007 HydrophobicContact CB-CB 4.35Å; Q969-L1007 HydrophobicContact CB-CD2 4.44Å; Q969-L1007 WeakPolarHBondContact CB-O 3.48Å; Q969-L1007 PolarHBondContact N-O 2.92Å; I972-L1007 HydrophobicContact CD1-CD2 3.49Å; I972-L1007 VanDerWaalsContact CD1-CD2 3.49Å; Y994-L1007 HydrophobicContact CE2-CD2 4.16Å; R1003-L1007 WeakPolarHBondContact O-CB 3.14Å; R1003-L1007 WeakPolarHBondContact O-CG 3.34Å; R1003-L1007 PolarHBondContact O-N 3.38Å; E1005-L1007 PolarHBondContact O-N 3.08Å
1008	A	94.5	Very high	94	Very high	79 Å²	79	57.7 Å²	57.7	65%	0.653	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.8	179.3	0	0	0	0	0	113.9	E1005 R1006	E1005-A1008 PolarHBondContact O-N 3.26Å; R1006-A1008 PolarHBondContact O-N 2.79Å
1009	M	95.8	Very high	93.8	Very high	42 Å²	42	59.1 Å²	59.1	21%	0.207	32%	0.321	C	S	.	.	S	Bend	trans	-74.4	147	-178.2	-60.9	-178.4	80.3	0	0	111.3	T967 L968 R1006 D1013 L1014 A1017	T967-M1009 CarbonylContact C-O 3.55Å; T967-M1009 VanDerWaalsContact CA-O 3.23Å; T967-M1009 WeakPolarHBondContact CA-O 3.46Å; T967-M1009 WeakPolarHBondContact CB-O 3.38Å; L968-M1009 PolarHBondContact N-O 2.87Å; R1006-M1009 HydrophobicContact CG-SD 4.45Å; R1006-M1009 WeakPolarHBondContact O-CB 3.5Å; R1006-M1009 PolarHBondContact O-N 2.96Å; R1006-M1009 VanDerWaalsContact O-N 3.11Å; M1009-D1013 HydrophobicContact CE-CB 3.97Å; M1009-D1013 WeakPolarHBondContact CE-O 3.32Å; M1009-L1014 HydrophobicContact CB-CB 4.11Å; M1009-L1014 HydrophobicContact SD-CD1 4Å; M1009-A1017 HydrophobicContact CE-CB 3.6Å
1010	S	94.8	Very high	93.6	Very high	28 Å²	28	63.9 Å²	63.9	20%	0.196	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-63.3	151.1	163.3	80.2	0	0	0	0	109.6	R1012 D1013 L1014	S1010-R1012 PolarHBondContact O-N 3.25Å; S1010-D1013 WeakPolarHBondContact CB-OD2 3.37Å; S1010-D1013 PolarHBondContact O-N 3.22Å; S1010-D1013 VanDerWaalsContact O-N 3.16Å; S1010-D1013 WeakPolarHBondContact OG-CB 3.43Å; S1010-D1013 PolarHBondContact OG-N 3.49Å; S1010-D1013 PolarHBondContact OG-OD2 2.96Å; S1010-L1014 VanDerWaalsContact O-CB 3.3Å; S1010-L1014 WeakPolarHBondContact O-CB 3.36Å; S1010-L1014 PolarHBondContact O-N 3.25Å
1011	L	94.7	Very high	93.4	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.2	-33.3	178	-68.5	175.1	0	0	0	112.2	M966 L968 L971 L986 V1015 F1032 Y1051	M966-L1011 HydrophobicContact CB-CD1 4.27Å; M966-L1011 HydrophobicContact CG-CD1 4.46Å; M966-L1011 PolarHBondContact O-N 2.96Å; M966-L1011 HydrophobicContact SD-CD1 4.49Å; L968-L1011 HydrophobicContact CB-CD2 4.27Å; L968-L1011 HydrophobicContact CD1-CD2 4.22Å; L971-L1011 HydrophobicContact CB-CD1 4.36Å; L971-L1011 HydrophobicContact CD1-CD1 3.59Å; L971-L1011 HydrophobicContact CD1-CD2 4.14Å; L986-L1011 HydrophobicContact CD2-CD2 4.28Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.29Å; L1011-V1015 PolarHBondContact O-N 2.94Å; L1011-V1015 VanDerWaalsContact O-N 3.13Å; L1011-F1032 HydrophobicContact CB-CE2 4.46Å; L1011-F1032 HydrophobicContact CB-CZ 4.17Å; L1011-F1032 HydrophobicContact CD1-CE2 4.11Å; L1011-Y1051 HydrophobicContact CB-CD1 4.38Å; L1011-Y1051 HydrophobicContact CB-CE1 3.86Å; L1011-Y1051 HydrophobicContact CD1-CD1 4.3Å; L1011-Y1051 HydrophobicContact CD1-CD2 3.83Å; L1011-Y1051 HydrophobicContact CD1-CE1 4.1Å; L1011-Y1051 HydrophobicContact CD1-CE2 3.64Å; L1011-Y1051 HydrophobicContact CD1-CG 4.15Å
1012	R	92.3	Very high	93.3	Very high	76 Å²	76	73 Å²	73	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-56.9	171.8	172.1	176.8	-76.9	-179.7	3.1	111.1	S1010 L1014 V1015 E1016 I1023 L1053 E1054	S1010-R1012 PolarHBondContact O-N 3.25Å; R1012-L1014 PolarHBondContact O-N 3.03Å; R1012-V1015 PolarHBondContact O-N 3.5Å; R1012-E1016 PolarHBondContact O-N 3.09Å; R1012-I1023 HydrophobicContact CG-CD1 4.05Å; R1012-L1053 HydrophobicContact CB-CD2 4.1Å; R1012-E1054 PolarHBondContact NH2-O 3.11Å
1013	D	93.2	Very high	93	Very high	80 Å²	80	70.2 Å²	70.2	43%	0.428	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-34.7	-176	-57.9	-37.4	0	0	0	111.2	M1009 S1010 E1016 A1017	M1009-D1013 HydrophobicContact CE-CB 3.97Å; M1009-D1013 WeakPolarHBondContact CE-O 3.32Å; S1010-D1013 WeakPolarHBondContact CB-OD2 3.37Å; S1010-D1013 PolarHBondContact O-N 3.22Å; S1010-D1013 VanDerWaalsContact O-N 3.16Å; S1010-D1013 WeakPolarHBondContact OG-CB 3.43Å; S1010-D1013 PolarHBondContact OG-N 3.49Å; S1010-D1013 PolarHBondContact OG-OD2 2.96Å; D1013-E1016 PolarHBondContact O-N 2.82Å; D1013-A1017 VanDerWaalsContact O-CB 3.23Å; D1013-A1017 WeakPolarHBondContact O-CB 3.47Å; D1013-A1017 PolarHBondContact O-N 2.83Å
1014	L	94.9	Very high	92.5	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-48.4	176.4	178.7	58.7	0	0	0	111.5	L968 L993 R1006 M1009 S1010 R1012 A1017 V1018	L968-L1014 HydrophobicContact CB-CD2 4.01Å; L968-L1014 HydrophobicContact CD1-CD2 4.19Å; L968-L1014 HydrophobicContact CD2-CD2 3.84Å; L968-L1014 HydrophobicContact CG-CD2 4.23Å; L993-L1014 HydrophobicContact CB-CD2 4Å; L993-L1014 HydrophobicContact CB-CG 4.29Å; R1006-L1014 HydrophobicContact CB-CD1 3.77Å; R1006-L1014 HydrophobicContact CG-CD1 3.6Å; M1009-L1014 HydrophobicContact CB-CB 4.11Å; M1009-L1014 HydrophobicContact SD-CD1 4Å; S1010-L1014 VanDerWaalsContact O-CB 3.3Å; S1010-L1014 WeakPolarHBondContact O-CB 3.36Å; S1010-L1014 PolarHBondContact O-N 3.25Å; R1012-L1014 PolarHBondContact O-N 3.03Å; L1014-A1017 PolarHBondContact O-N 3.1Å; L1014-V1018 HydrophobicContact CD1-CG2 3.92Å; L1014-V1018 HydrophobicContact CG-CG2 4.48Å; L1014-V1018 WeakPolarHBondContact O-CB 3.45Å; L1014-V1018 WeakPolarHBondContact O-CG2 3.28Å; L1014-V1018 PolarHBondContact O-N 2.84Å
1015	V	94.3	Very high	92.1	Very high	3 Å²	3	70 Å²	70	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-61.8	-46.8	177.2	169.1	0	0	0	0	110.7	Q988 L993 L1011 R1012 A1017 V1018 N1019 I1023 L1030 F1032	Q988-V1015 HydrophobicContact CB-CG2 4.5Å; Q988-V1015 HydrophobicContact CG-CG2 4.49Å; L993-V1015 HydrophobicContact CD1-CG2 3.76Å; L993-V1015 HydrophobicContact CD2-CG2 4.18Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.29Å; L1011-V1015 PolarHBondContact O-N 2.94Å; L1011-V1015 VanDerWaalsContact O-N 3.13Å; R1012-V1015 PolarHBondContact O-N 3.5Å; V1015-A1017 VanDerWaalsContact C-N 3.34Å; V1015-A1017 PolarHBondContact O-N 2.93Å; V1015-V1018 PolarHBondContact O-N 3.41Å; V1015-N1019 VanDerWaalsContact O-CB 3.29Å; V1015-N1019 WeakPolarHBondContact O-CB 3.33Å; V1015-N1019 PolarHBondContact O-N 2.73Å; V1015-I1023 HydrophobicContact CB-CD1 4.25Å; V1015-I1023 HydrophobicContact CG1-CD1 4.04Å; V1015-I1023 HydrophobicContact CG1-CG1 4.21Å; V1015-L1030 HydrophobicContact CB-CD1 4.47Å; V1015-L1030 HydrophobicContact CG2-CD1 4.11Å; V1015-F1032 HydrophobicContact CG2-CE1 3.64Å; V1015-F1032 HydrophobicContact CG2-CZ 4.08Å
1016	E	93.9	Very high	91.3	Very high	49 Å²	49	68.4 Å²	68.4	23%	0.229	35%	0.352	C	S	.	.	H	α-helix	trans	-62.1	-40.7	179.4	-67.6	-165.4	157.2	0	0	112.5	R1012 D1013 K1020 R1021 K1022 I1023	R1012-E1016 PolarHBondContact O-N 3.09Å; D1013-E1016 PolarHBondContact O-N 2.82Å; E1016-K1020 WeakPolarHBondContact O-CA 3.48Å; E1016-K1020 PolarHBondContact O-N 3.33Å; E1016-R1021 WeakPolarHBondContact CA-O 3.38Å; E1016-R1021 PolarHBondContact O-N 3.27Å; E1016-K1022 WeakPolarHBondContact OE1-CA 3.43Å; E1016-I1023 HydrophobicContact CG-CB 4.5Å; E1016-I1023 HydrophobicContact CG-CD1 3.91Å; E1016-I1023 HydrophobicContact CG-CG1 3.89Å; E1016-I1023 PolarHBondContact OE1-N 3.36Å
1017	A	93.5	Very high	90.8	Very high	57 Å²	57	69.2 Å²	69.2	47%	0.471	36%	0.36	S	S	.	.	H	α-helix	trans	-68.2	-40.6	178.7	0	0	0	0	0	112.5	M1009 D1013 L1014 V1015	M1009-A1017 HydrophobicContact CE-CB 3.6Å; D1013-A1017 VanDerWaalsContact O-CB 3.23Å; D1013-A1017 WeakPolarHBondContact O-CB 3.47Å; D1013-A1017 PolarHBondContact O-N 2.83Å; L1014-A1017 PolarHBondContact O-N 3.1Å; V1015-A1017 VanDerWaalsContact C-N 3.34Å; V1015-A1017 PolarHBondContact O-N 2.93Å
1018	V	93.7	Very high	90.3	Very high	32 Å²	32	72.7 Å²	72.7	19%	0.194	37%	0.374	C	S	.	.	H	α-helix	trans	-71.8	-47.1	-179.9	177.6	0	0	0	0	110.8	L993 L1014 V1015 K1020	L993-V1018 HydrophobicContact CD2-CB 3.89Å; L993-V1018 HydrophobicContact CD2-CG1 4.03Å; L993-V1018 HydrophobicContact CD2-CG2 3.84Å; L1014-V1018 HydrophobicContact CD1-CG2 3.92Å; L1014-V1018 HydrophobicContact CG-CG2 4.48Å; L1014-V1018 WeakPolarHBondContact O-CB 3.45Å; L1014-V1018 WeakPolarHBondContact O-CG2 3.28Å; L1014-V1018 PolarHBondContact O-N 2.84Å; V1015-V1018 PolarHBondContact O-N 3.41Å; V1018-K1020 VanDerWaalsContact C-N 3.25Å; V1018-K1020 PolarHBondContact O-N 3.46Å
1019	N	89.7	Confident	90.1	Very high	46 Å²	46	69.6 Å²	69.6	25%	0.246	35%	0.347	C	S	.	.	H	α-helix	trans	-77	-12.4	-178.3	-70.7	-12.1	0	0	0	112.9	Q988 S991 V1015 R1021	Q988-N1019 PolarHBondContact OE1-ND2 2.7Å; S991-N1019 WeakPolarHBondContact CB-OD1 3.41Å; S991-N1019 PolarHBondContact OG-OD1 2.91Å; V1015-N1019 VanDerWaalsContact O-CB 3.29Å; V1015-N1019 WeakPolarHBondContact O-CB 3.33Å; V1015-N1019 PolarHBondContact O-N 2.73Å; N1019-R1021 PolarHBondContact O-N 2.97Å; N1019-R1021 VanDerWaalsContact O-N 3.14Å
1020	K	90.5	Very high	89.9	Confident	191 Å²	191	68.1 Å²	68.1	83%	0.83	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.6	-175.2	-55.9	179.6	-179.3	178	0	112.7	E1016 V1018	E1016-K1020 WeakPolarHBondContact O-CA 3.48Å; E1016-K1020 PolarHBondContact O-N 3.33Å; V1018-K1020 VanDerWaalsContact C-N 3.25Å; V1018-K1020 PolarHBondContact O-N 3.46Å
1021	R	87.5	Confident	89.9	Confident	202 Å²	202	69 Å²	69	76%	0.762	34%	0.344	S	S	*	.	S	Bend	trans	-141.8	137.5	-178.3	-69	-179.4	-177.1	-175.4	1.4	108	E1016 N1019	E1016-R1021 WeakPolarHBondContact CA-O 3.38Å; E1016-R1021 PolarHBondContact O-N 3.27Å; N1019-R1021 PolarHBondContact O-N 2.97Å; N1019-R1021 VanDerWaalsContact O-N 3.14Å
1022	K	89.5	Confident	90	Very high	176 Å²	176	69 Å²	69	77%	0.765	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-68.4	143.6	172.5	-70.2	-166.3	173.6	-169.9	0	110.2	E1016	E1016-K1022 WeakPolarHBondContact OE1-CA 3.43Å
1023	I	87.8	Confident	90.1	Very high	27 Å²	27	69.1 Å²	69.1	14%	0.138	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.8	126.7	173.2	-68.6	159.7	0	0	0	107.6	R1012 V1015 E1016 V1027 L1030 L1053	R1012-I1023 HydrophobicContact CG-CD1 4.05Å; V1015-I1023 HydrophobicContact CB-CD1 4.25Å; V1015-I1023 HydrophobicContact CG1-CD1 4.04Å; V1015-I1023 HydrophobicContact CG1-CG1 4.21Å; E1016-I1023 HydrophobicContact CG-CB 4.5Å; E1016-I1023 HydrophobicContact CG-CD1 3.91Å; E1016-I1023 HydrophobicContact CG-CG1 3.89Å; E1016-I1023 PolarHBondContact OE1-N 3.36Å; I1023-V1027 HydrophobicContact CG2-CB 3.7Å; I1023-V1027 HydrophobicContact CG2-CG1 3.84Å; I1023-V1027 HydrophobicContact CG2-CG2 4.41Å; I1023-L1030 HydrophobicContact CD1-CD1 3.95Å; I1023-L1030 HydrophobicContact CD1-CD2 4.08Å; I1023-L1030 HydrophobicContact CG1-CD2 4.45Å; I1023-L1053 HydrophobicContact CG2-CD1 4.17Å
1024	P	84.1	Confident	90.2	Very high	58 Å²	58	65.9 Å²	65.9	38%	0.377	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-58.4	143.2	179.7	-24.7	33.4	0	0	0	111.9	H1026 V1027	P1024-H1026 WeakPolarHBondContact CB-CE1 3.46Å; P1024-H1026 WeakPolarHBondContact CB-ND1 3.45Å; P1024-H1026 PolarHBondContact O-N 2.83Å; P1024-V1027 HydrophobicContact CB-CG2 4.1Å; P1024-V1027 HydrophobicContact CG-CG2 4.2Å; P1024-V1027 WeakPolarHBondContact O-CB 3.3Å; P1024-V1027 PolarHBondContact O-N 3.14Å
1025	P	82.6	Confident	90.3	Very high	139 Å²	139	68 Å²	68	90%	0.903	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.1	-175.8	-26.3	34.4	0	0	0	115.6	V1027	P1025-V1027 VanDerWaalsContact C-N 3.32Å
1026	H	78.7	Confident	90.4	Very high	93 Å²	93	67.8 Å²	67.8	43%	0.431	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-15.7	178	63.9	-92	0	0	0	113	P1024 K1028	P1024-H1026 WeakPolarHBondContact CB-CE1 3.46Å; P1024-H1026 WeakPolarHBondContact CB-ND1 3.45Å; P1024-H1026 PolarHBondContact O-N 2.83Å; H1026-K1028 PolarHBondContact O-N 2.87Å
1027	V	84.3	Confident	90.5	Very high	44 Å²	44	66 Å²	66	27%	0.267	34%	0.339	S	S	.	.			trans	-79.1	110.9	179.6	177.3	0	0	0	0	109	I1023 P1024 P1025 V1029 L1030 L1053	I1023-V1027 HydrophobicContact CG2-CB 3.7Å; I1023-V1027 HydrophobicContact CG2-CG1 3.84Å; I1023-V1027 HydrophobicContact CG2-CG2 4.41Å; P1024-V1027 HydrophobicContact CB-CG2 4.1Å; P1024-V1027 HydrophobicContact CG-CG2 4.2Å; P1024-V1027 WeakPolarHBondContact O-CB 3.3Å; P1024-V1027 PolarHBondContact O-N 3.14Å; P1025-V1027 VanDerWaalsContact C-N 3.32Å; V1027-V1029 WeakPolarHBondContact CG1-O 3.36Å; V1027-L1030 HydrophobicContact CG1-CD2 4.23Å; V1027-L1053 HydrophobicContact CG1-CD1 4.48Å; V1027-L1053 WeakPolarHBondContact O-CD1 3.36Å
1028	K	86.4	Confident	90.5	Very high	104 Å²	104	64.3 Å²	64.3	45%	0.452	32%	0.322	S	S	.	.			trans	-96.2	-15	179.5	-64.6	175.2	-177.1	165.9	0	113.1	H1026 L1053	H1026-K1028 PolarHBondContact O-N 2.87Å; K1028-L1053 VanDerWaalsContact O-CB 3.32Å; K1028-L1053 WeakPolarHBondContact O-CB 3.46Å; K1028-L1053 PolarHBondContact O-N 3.47Å
1029	V	90.1	Very high	90.4	Very high	15 Å²	15	68.5 Å²	68.5	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.1	-172.8	-173.8	0	0	0	0	109.7	Y589 V1027 R1050 Y1051 V1052	Y589-V1029 WeakPolarHBondContact OH-CB 3.46Å; Y589-V1029 WeakPolarHBondContact OH-CG1 3.48Å; V1027-V1029 WeakPolarHBondContact CG1-O 3.36Å; V1029-R1050 HydrophobicContact CG1-CG 3.47Å; V1029-R1050 VanDerWaalsContact CG1-CG 3.47Å; V1029-Y1051 CarbonylContact C-O 3.57Å; V1029-Y1051 WeakPolarHBondContact CA-O 3.39Å; V1029-Y1051 WeakPolarHBondContact CG1-O 3.35Å; V1029-V1052 HydrophobicContact CG2-CG2 4.38Å
1030	L	91.6	Very high	90.4	Very high	10 Å²	10	73.1 Å²	73.1	5%	0.052	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.1	169	-61.9	174.6	0	0	0	109.4	V1015 I1023 V1027 F1032 Y1051 L1053	V1015-L1030 HydrophobicContact CB-CD1 4.47Å; V1015-L1030 HydrophobicContact CG2-CD1 4.11Å; I1023-L1030 HydrophobicContact CD1-CD1 3.95Å; I1023-L1030 HydrophobicContact CD1-CD2 4.08Å; I1023-L1030 HydrophobicContact CG1-CD2 4.45Å; V1027-L1030 HydrophobicContact CG1-CD2 4.23Å; L1030-F1032 HydrophobicContact CB-CE1 4.35Å; L1030-F1032 HydrophobicContact CB-CE2 3.96Å; L1030-F1032 HydrophobicContact CB-CZ 3.75Å; L1030-F1032 HydrophobicContact CD1-CZ 3.82Å; L1030-F1032 HydrophobicContact CG-CZ 4.45Å; L1030-Y1051 HydrophobicContact CB-CD1 4.44Å; L1030-Y1051 HydrophobicContact CD1-CD1 4.4Å; L1030-Y1051 PolarHBondContact N-O 2.63Å; L1030-Y1051 PolarHBondContact O-N 2.89Å; L1030-L1053 HydrophobicContact CD1-CD1 4.41Å; L1030-L1053 HydrophobicContact CD1-CD2 3.78Å; L1030-L1053 HydrophobicContact CD1-CG 4.34Å; L1030-L1053 HydrophobicContact CD2-CD1 4.43Å; L1030-L1053 HydrophobicContact CG-CD1 4.04Å; L1030-L1053 HydrophobicContact CG-CD2 4.13Å; L1030-L1053 HydrophobicContact CG-CG 4.13Å
1031	V	93.9	Very high	90.3	Very high	46 Å²	46	70.5 Å²	70.5	28%	0.279	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.1	173	-179.6	0	0	0	0	108.3	Y589 Q988 Y1048 I1049	Y589-V1031 HydrophobicContact CD2-CG2 4.05Å; Y589-V1031 HydrophobicContact CE2-CG2 3.47Å; Y589-V1031 VanDerWaalsContact CE2-CG2 3.47Å; Q988-V1031 WeakPolarHBondContact CG-O 3.39Å; V1031-Y1048 HydrophobicContact CG1-CD2 3.79Å; V1031-Y1048 HydrophobicContact CG1-CE2 4.34Å; V1031-I1049 WeakPolarHBondContact CA-O 3.22Å
1032	F	96.4	Very high	90.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.3	174.3	-53.8	-72.9	0	0	0	111.1	L986 S987 Q988 L993 L1011 V1015 L1030 I1049 Y1051	L986-F1032 HydrophobicContact CD1-CB 3.74Å; L986-F1032 HydrophobicContact CD1-CG 4.32Å; L986-F1032 HydrophobicContact CG-CB 4.37Å; S987-F1032 VanDerWaalsContact O-CA 3.3Å; S987-F1032 WeakPolarHBondContact O-CA 3.23Å; Q988-F1032 HydrophobicContact CB-CD1 3.9Å; Q988-F1032 HydrophobicContact CB-CE1 4.07Å; Q988-F1032 HydrophobicContact CG-CD1 4.27Å; Q988-F1032 HydrophobicContact CG-CE1 4.23Å; L993-F1032 HydrophobicContact CD1-CD1 3.6Å; L993-F1032 HydrophobicContact CD1-CE1 3.4Å; L1011-F1032 HydrophobicContact CB-CE2 4.46Å; L1011-F1032 HydrophobicContact CB-CZ 4.17Å; L1011-F1032 HydrophobicContact CD1-CE2 4.11Å; V1015-F1032 HydrophobicContact CG2-CE1 3.64Å; V1015-F1032 HydrophobicContact CG2-CZ 4.08Å; L1030-F1032 HydrophobicContact CB-CE1 4.35Å; L1030-F1032 HydrophobicContact CB-CE2 3.96Å; L1030-F1032 HydrophobicContact CB-CZ 3.75Å; L1030-F1032 HydrophobicContact CD1-CZ 3.82Å; L1030-F1032 HydrophobicContact CG-CZ 4.45Å; F1032-I1049 HydrophobicContact CB-CB 4.12Å; F1032-I1049 HydrophobicContact CB-CD1 4.38Å; F1032-I1049 HydrophobicContact CD2-CB 4.38Å; F1032-I1049 HydrophobicContact CD2-CG2 4.28Å; F1032-I1049 PolarHBondContact N-O 3.25Å; F1032-I1049 PolarHBondContact O-N 3.46Å; F1032-Y1051 VanDerWaalsContact CE2-CB 3.47Å; F1032-Y1051 AromaticContact CE2-CD1 3.93Å; F1032-Y1051 HydrophobicContact CE2-CD1 3.93Å; F1032-Y1051 AromaticContact CE2-CG 3.8Å; F1032-Y1051 HydrophobicContact CE2-CG 3.8Å; F1032-Y1051 HydrophobicContact CZ-CD1 4.48Å
1033	D	95.6	Very high	90.7	Very high	80 Å²	80	65 Å²	65	43%	0.428	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.6	164.9	-63.8	-54	0	0	0	108.4	L986 S987	L986-D1033 WeakPolarHBondContact CA-O 3.28Å; S987-D1033 PolarHBondContact N-O 3.36Å; S987-D1033 PolarHBondContact O-N 3.48Å
1034	V	96.1	Very high	91	Very high	12 Å²	12	65 Å²	65	7%	0.073	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.6	-174.8	63.8	0	0	0	0	109.5	F975 V983 M985 L986 V1046 I1049	F975-V1034 HydrophobicContact CE1-CG1 3.99Å; F975-V1034 HydrophobicContact CE1-CG2 4.3Å; F975-V1034 HydrophobicContact CZ-CG1 4Å; F975-V1034 HydrophobicContact CZ-CG2 4.46Å; V983-V1034 HydrophobicContact CB-CG2 4.47Å; V983-V1034 HydrophobicContact CG1-CG2 3.84Å; V983-V1034 HydrophobicContact CG2-CG2 4.01Å; M985-V1034 WeakPolarHBondContact O-CA 2.92Å; L986-V1034 HydrophobicContact CD1-CB 3.95Å; L986-V1034 HydrophobicContact CD1-CG2 4.11Å; V1034-V1046 HydrophobicContact CG1-CG2 3.68Å; V1034-V1046 WeakPolarHBondContact O-CG2 3.36Å; V1034-I1049 HydrophobicContact CB-CD1 4.07Å; V1034-I1049 HydrophobicContact CB-CG1 4.49Å; V1034-I1049 HydrophobicContact CG1-CD1 4.01Å; V1034-I1049 HydrophobicContact CG1-CG1 3.99Å
1035	C	96	Very high	91.5	Very high	43 Å²	43	67.8 Å²	67.8	29%	0.291	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.7	168	-55.6	0	0	0	0	108.3	T984 M985	T984-C1035 PolarHBondContact N-O 2.98Å; T984-C1035 VanDerWaalsContact OG1-C 3.29Å; T984-C1035 WeakPolarHBondContact OG1-CB 3.44Å; T984-C1035 PolarHBondContact OG1-O 3.04Å; T984-C1035 VanDerWaalsContact OG1-O 3.05Å; M985-C1035 HydrophobicContact CB-CB 4.02Å; M985-C1035 VanDerWaalsContact CE-SG 3.51Å; M985-C1035 PolarHBondContact N-O 3.48Å; M985-C1035 PolarHBondContact O-N 2.87Å
1036	C	96.3	Very high	92.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.4	-176.2	-68.7	0	0	0	0	110.7	L981 N982 D1043 V1044 V1046	L981-C1036 HydrophobicContact CB-CB 4.06Å; L981-C1036 HydrophobicContact CD2-CB 4.11Å; L981-C1036 HydrophobicContact CG-CB 4.48Å; N982-C1036 CarbonylContact O-C 3.52Å; N982-C1036 WeakPolarHBondContact O-CA 3.16Å; C1036-D1043 VanDerWaalsContact O-OD1 3.12Å; C1036-V1044 HydrophobicContact CB-CG2 4.26Å; C1036-V1044 WeakPolarHBondContact O-CG2 3.38Å; C1036-V1044 PolarHBondContact O-N 2.73Å; C1036-V1046 HydrophobicContact CB-CG1 4.17Å; C1036-V1046 HydrophobicContact CB-CG2 4.34Å
1037	S	95.7	Very high	93	Very high	10 Å²	10	58.1 Å²	58.1	7%	0.07	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	152.4	160.6	59.8	0	0	0	0	111.5	N982 K1042	N982-S1037 PolarHBondContact N-O 3.43Å; N982-S1037 PolarHBondContact O-N 3.22Å; S1037-K1042 CarbonylContact C-O 3.55Å; S1037-K1042 WeakPolarHBondContact CA-O 3.39Å; S1037-K1042 WeakPolarHBondContact CB-O 3.24Å
1038	D	93.8	Very high	93.5	Very high	22 Å²	22	57.9 Å²	57.9	12%	0.118	30%	0.295	C	S	.	.			trans	-72.5	179.8	169.5	71.5	7.6	0	0	0	111.7	Y950 N982 H1040 D1041 K1042 V1044	Y950-D1038 HydrophobicContact CE1-CB 4.13Å; Y950-D1038 WeakPolarHBondContact OH-CA 3.38Å; N982-D1038 PolarHBondContact ND2-O 2.77Å; D1038-H1040 PolarHBondContact O-N 3.12Å; D1038-H1040 VanDerWaalsContact O-N 3.09Å; D1038-H1040 VanDerWaalsContact OD1-CA 3.24Å; D1038-H1040 WeakPolarHBondContact OD1-CA 3.37Å; D1038-H1040 WeakPolarHBondContact OD1-CB 3.39Å; D1038-H1040 PolarHBondContact OD1-N 2.83Å; D1038-D1041 PolarHBondContact O-N 3.18Å; D1038-D1041 PolarHBondContact OD1-N 2.88Å; D1038-D1041 VanDerWaalsContact OD1-N 3.14Å; D1038-K1042 PolarHBondContact N-O 3.33Å; D1038-K1042 PolarHBondContact OD1-N 2.95Å; D1038-V1044 HydrophobicContact CB-CG1 4.24Å
1039	E	91.3	Very high	94	Very high	120 Å²	120	52.9 Å²	52.9	56%	0.561	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-8.8	176.1	-76.4	-178.6	138.7	0	0	113.5	Y950 K980	Y950-E1039 WeakPolarHBondContact OH-CG 3.26Å; Y950-E1039 PolarHBondContact OH-N 2.86Å; K980-E1039 HydrophobicContact CB-CG 4.27Å
1040	H	90.6	Very high	94.3	Very high	144 Å²	144	53.6 Å²	53.6	67%	0.667	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	15.7	175.8	-56.5	-47.7	0	0	0	112.6	D1038 K1042	D1038-H1040 PolarHBondContact O-N 3.12Å; D1038-H1040 VanDerWaalsContact O-N 3.09Å; D1038-H1040 VanDerWaalsContact OD1-CA 3.24Å; D1038-H1040 WeakPolarHBondContact OD1-CA 3.37Å; D1038-H1040 WeakPolarHBondContact OD1-CB 3.39Å; D1038-H1040 PolarHBondContact OD1-N 2.83Å; H1040-K1042 PolarHBondContact O-N 2.87Å
1041	D	87.8	Confident	94.5	Very high	135 Å²	135	53.3 Å²	53.3	72%	0.722	27%	0.272	S	S	*	.	S	Bend	trans	57.5	25.5	-178.6	-66.4	-43.3	0	0	0	114	D1038	D1038-D1041 PolarHBondContact O-N 3.18Å; D1038-D1041 PolarHBondContact OD1-N 2.88Å; D1038-D1041 VanDerWaalsContact OD1-N 3.14Å
1042	K	92.8	Very high	94.4	Very high	139 Å²	139	53.5 Å²	53.5	60%	0.604	27%	0.273	S	S	*	.			trans	-89.9	133.5	170.7	-64.4	-177.7	179.1	178.3	0	110.1	S1037 D1038 H1040	S1037-K1042 CarbonylContact C-O 3.55Å; S1037-K1042 WeakPolarHBondContact CA-O 3.39Å; S1037-K1042 WeakPolarHBondContact CB-O 3.24Å; D1038-K1042 PolarHBondContact N-O 3.33Å; D1038-K1042 PolarHBondContact OD1-N 2.95Å; H1040-K1042 PolarHBondContact O-N 2.87Å
1043	D	93.9	Very high	94	Very high	123 Å²	123	54.1 Å²	54.1	66%	0.658	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.5	175.3	-156.2	26.2	0	0	0	110.2	C1036	C1036-D1043 VanDerWaalsContact O-OD1 3.12Å
1044	V	94	Very high	93.2	Very high	28 Å²	28	54.8 Å²	54.8	17%	0.17	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136	-178.8	-69.1	0	0	0	0	110.4	L981 C1036 D1038 V1046	L981-V1044 HydrophobicContact CD2-CG2 3.67Å; C1036-V1044 HydrophobicContact CB-CG2 4.26Å; C1036-V1044 WeakPolarHBondContact O-CG2 3.38Å; C1036-V1044 PolarHBondContact O-N 2.73Å; D1038-V1044 HydrophobicContact CB-CG1 4.24Å; V1044-V1046 HydrophobicContact CG2-CG1 4.28Å
1045	D	93.5	Very high	91.8	Very high	117 Å²	117	59.8 Å²	59.8	63%	0.626	31%	0.31	S	S	*	.			trans	-68.7	138.9	171.2	-66.9	-34.6	0	0	0	109.8	F954	F954-D1045 WeakPolarHBondContact CE1-O 3.49Å; F954-D1045 VanDerWaalsContact CZ-C 3.47Å; F954-D1045 HydrophobicContact CZ-CB 3.94Å; F954-D1045 VanDerWaalsContact CZ-O 3.28Å; F954-D1045 WeakPolarHBondContact CZ-O 3.34Å
1046	V	96.1	Very high	90.2	Very high	19 Å²	19	61.8 Å²	61.8	12%	0.115	33%	0.329	C	S	.	.			trans	-140.1	157.6	179.1	-64.9	0	0	0	0	110.3	Y949 F960 L981 V1034 C1036 V1044	Y949-V1046 HydrophobicContact CD1-CG1 4.08Å; Y949-V1046 HydrophobicContact CG-CG1 4.18Å; F960-V1046 HydrophobicContact CE2-CB 4.11Å; F960-V1046 HydrophobicContact CZ-CB 4.42Å; L981-V1046 HydrophobicContact CD1-CG1 3.73Å; L981-V1046 HydrophobicContact CD2-CG1 4.32Å; V1034-V1046 HydrophobicContact CG1-CG2 3.68Å; V1034-V1046 WeakPolarHBondContact O-CG2 3.36Å; C1036-V1046 HydrophobicContact CB-CG1 4.17Å; C1036-V1046 HydrophobicContact CB-CG2 4.34Å; V1044-V1046 HydrophobicContact CG2-CG1 4.28Å
1047	P	96.3	Very high	88.1	Confident	9 Å²	9	74.7 Å²	74.7	6%	0.058	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-58.4	155.3	172.8	-21.8	29.3	0	0	0	113.5	Y949 F954 D958 F960	Y949-P1047 HydrophobicContact CE1-CG 4.45Å; F954-P1047 HydrophobicContact CB-CG 3.81Å; F954-P1047 HydrophobicContact CD1-CG 4.29Å; F954-P1047 HydrophobicContact CD2-CB 4.31Å; F954-P1047 HydrophobicContact CD2-CG 3.54Å; F954-P1047 HydrophobicContact CE2-CG 4.14Å; F954-P1047 HydrophobicContact CG-CG 3.62Å; D958-P1047 HydrophobicContact CB-CG 4.34Å; F960-P1047 HydrophobicContact CD2-CB 4.15Å; F960-P1047 VanDerWaalsContact CD2-O 3.29Å; F960-P1047 WeakPolarHBondContact CD2-O 3.42Å; F960-P1047 HydrophobicContact CE2-CB 3.98Å; F960-P1047 HydrophobicContact CE2-CG 4.09Å; F960-P1047 VanDerWaalsContact CE2-O 3.24Å; F960-P1047 WeakPolarHBondContact CE2-O 3.11Å; F960-P1047 HydrophobicContact CZ-CB 4.45Å; F960-P1047 HydrophobicContact CZ-CG 4.1Å
1048	Y	96	Very high	87.7	Confident	39 Å²	39	78 Å²	78	15%	0.153	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	164.5	169.6	71.6	-89.8	0	0	0	111.6	Y589 R959 F960 V1031	Y589-Y1048 HydrophobicContact CD2-CE2 4.39Å; R959-Y1048 CarbonylContact C-O 3.58Å; R959-Y1048 VanDerWaalsContact CA-O 3.3Å; R959-Y1048 WeakPolarHBondContact CA-O 3.14Å; R959-Y1048 HydrophobicContact CB-CD1 4.12Å; R959-Y1048 HydrophobicContact CB-CD2 3.96Å; R959-Y1048 HydrophobicContact CB-CE1 3.79Å; R959-Y1048 HydrophobicContact CB-CE2 3.63Å; R959-Y1048 HydrophobicContact CB-CG 4.21Å; R959-Y1048 WeakPolarHBondContact CB-O 3.48Å; R959-Y1048 WeakPolarHBondContact CD-OH 3.33Å; R959-Y1048 HydrophobicContact CG-CE2 4.22Å; R959-Y1048 PolarHBondContact NH1-OH 2.86Å; F960-Y1048 PolarHBondContact N-O 2.81Å; V1031-Y1048 HydrophobicContact CG1-CD2 3.79Å; V1031-Y1048 HydrophobicContact CG1-CE2 4.34Å
1049	I	97	Very high	87.3	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.3	178.6	-53.2	173.5	0	0	0	109.7	F960 L962 L971 F975 L986 V1031 F1032 V1034	F960-I1049 HydrophobicContact CB-CG1 4.28Å; F960-I1049 HydrophobicContact CD2-CG1 4.13Å; L962-I1049 HydrophobicContact CB-CG2 4.29Å; L962-I1049 HydrophobicContact CD1-CG2 3.72Å; L962-I1049 HydrophobicContact CG-CG2 4.05Å; L971-I1049 HydrophobicContact CD1-CD1 3.9Å; L971-I1049 HydrophobicContact CD2-CD1 4.43Å; L971-I1049 HydrophobicContact CG-CD1 4.49Å; F975-I1049 HydrophobicContact CE2-CD1 3.52Å; F975-I1049 HydrophobicContact CE2-CG1 4.2Å; F975-I1049 HydrophobicContact CZ-CD1 3.5Å; F975-I1049 HydrophobicContact CZ-CG1 3.81Å; L986-I1049 HydrophobicContact CD1-CD1 4.06Å; V1031-I1049 WeakPolarHBondContact CA-O 3.22Å; F1032-I1049 HydrophobicContact CB-CB 4.12Å; F1032-I1049 HydrophobicContact CB-CD1 4.38Å; F1032-I1049 HydrophobicContact CD2-CB 4.38Å; F1032-I1049 HydrophobicContact CD2-CG2 4.28Å; F1032-I1049 PolarHBondContact N-O 3.25Å; F1032-I1049 PolarHBondContact O-N 3.46Å; V1034-I1049 HydrophobicContact CB-CD1 4.07Å; V1034-I1049 HydrophobicContact CB-CG1 4.49Å; V1034-I1049 HydrophobicContact CG1-CD1 4.01Å; V1034-I1049 HydrophobicContact CG1-CG1 3.99Å
1050	R	95.4	Very high	87.1	Confident	29 Å²	29	78.7 Å²	78.7	11%	0.109	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	108.2	163.1	-175.9	174.9	172.6	-85.8	2.2	108.9	E565 Y589 R959 F960 E961 L962 V1029	E565-R1050 IonicContact OE1-NH2 3.96Å; Y589-R1050 HydrophobicContact CE2-CG 4.37Å; Y589-R1050 PolarHBondContact OH-NE 3.49Å; R959-R1050 HydrophobicContact CG-CB 4.2Å; F960-R1050 PolarHBondContact O-N 3.29Å; E961-R1050 IonicContact OE1-NH1 2.77Å; E961-R1050 WeakPolarHBondContact OE2-CD 2.94Å; E961-R1050 IonicContact OE2-CZ 2.67Å; E961-R1050 IonicContact OE2-NE 2.8Å; E961-R1050 IonicContact OE2-NH1 3.2Å; E961-R1050 PolarHBondContact OE2-NH1 3.4Å; L962-R1050 PolarHBondContact N-O 2.85Å; V1029-R1050 HydrophobicContact CG1-CG 3.47Å; V1029-R1050 VanDerWaalsContact CG1-CG 3.47Å
1051	Y	95.2	Very high	86.9	Confident	5 Å²	5	74.9 Å²	74.9	2%	0.02	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	106.9	-177.5	-178.7	-106.2	0	0	0	112.1	L962 G964 M966 L1011 V1029 L1030 F1032 L1053	L962-Y1051 HydrophobicContact CB-CD2 3.97Å; L962-Y1051 CarbonylContact O-C 3.54Å; L962-Y1051 WeakPolarHBondContact O-CA 3.31Å; G964-Y1051 WeakPolarHBondContact CA-OH 3.45Å; M966-Y1051 HydrophobicContact CB-CE2 3.77Å; M966-Y1051 WeakPolarHBondContact CB-OH 2.85Å; M966-Y1051 PolarHBondContact N-OH 2.69Å; L1011-Y1051 HydrophobicContact CB-CD1 4.38Å; L1011-Y1051 HydrophobicContact CB-CE1 3.86Å; L1011-Y1051 HydrophobicContact CD1-CD1 4.3Å; L1011-Y1051 HydrophobicContact CD1-CD2 3.83Å; L1011-Y1051 HydrophobicContact CD1-CE1 4.1Å; L1011-Y1051 HydrophobicContact CD1-CE2 3.64Å; L1011-Y1051 HydrophobicContact CD1-CG 4.15Å; V1029-Y1051 CarbonylContact C-O 3.57Å; V1029-Y1051 WeakPolarHBondContact CA-O 3.39Å; V1029-Y1051 WeakPolarHBondContact CG1-O 3.35Å; L1030-Y1051 HydrophobicContact CB-CD1 4.44Å; L1030-Y1051 HydrophobicContact CD1-CD1 4.4Å; L1030-Y1051 PolarHBondContact N-O 2.63Å; L1030-Y1051 PolarHBondContact O-N 2.89Å; F1032-Y1051 VanDerWaalsContact CE2-CB 3.47Å; F1032-Y1051 AromaticContact CE2-CD1 3.93Å; F1032-Y1051 HydrophobicContact CE2-CD1 3.93Å; F1032-Y1051 AromaticContact CE2-CG 3.8Å; F1032-Y1051 HydrophobicContact CE2-CG 3.8Å; F1032-Y1051 HydrophobicContact CZ-CD1 4.48Å; Y1051-L1053 HydrophobicContact CD1-CD2 4.17Å; Y1051-L1053 HydrophobicContact CE1-CD2 3.9Å; Y1051-L1053 PolarHBondContact O-N 3.38Å
1052	V	92.9	Very high	86.9	Confident	49 Å²	49	71.1 Å²	71.1	30%	0.297	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.1	178.1	-175.3	0	0	0	0	109.8	L962 G964 V1029	L962-V1052 PolarHBondContact O-N 3.4Å; G964-V1052 PolarHBondContact N-O 3.11Å; V1029-V1052 HydrophobicContact CG2-CG2 4.38Å
1053	L	88.4	Confident	86.5	Confident	13 Å²	13	66.6 Å²	66.6	7%	0.068	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-72.7	144.6	175	-68.1	172.1	0	0	0	110.3	R1012 I1023 V1027 K1028 L1030 Y1051	R1012-L1053 HydrophobicContact CB-CD2 4.1Å; I1023-L1053 HydrophobicContact CG2-CD1 4.17Å; V1027-L1053 HydrophobicContact CG1-CD1 4.48Å; V1027-L1053 WeakPolarHBondContact O-CD1 3.36Å; K1028-L1053 VanDerWaalsContact O-CB 3.32Å; K1028-L1053 WeakPolarHBondContact O-CB 3.46Å; K1028-L1053 PolarHBondContact O-N 3.47Å; L1030-L1053 HydrophobicContact CD1-CD1 4.41Å; L1030-L1053 HydrophobicContact CD1-CD2 3.78Å; L1030-L1053 HydrophobicContact CD1-CG 4.34Å; L1030-L1053 HydrophobicContact CD2-CD1 4.43Å; L1030-L1053 HydrophobicContact CG-CD1 4.04Å; L1030-L1053 HydrophobicContact CG-CD2 4.13Å; L1030-L1053 HydrophobicContact CG-CG 4.13Å; Y1051-L1053 HydrophobicContact CD1-CD2 4.17Å; Y1051-L1053 HydrophobicContact CE1-CD2 3.9Å; Y1051-L1053 PolarHBondContact O-N 3.38Å
1054	E	78.6	Confident	85.9	Confident	94 Å²	94	62.6 Å²	62.6	44%	0.439	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-62	145.2	166.8	-72	-165.2	132.5	0	0	110.7	P965 R1012 A1056	P965-E1054 VanDerWaalsContact CD-CD 3.44Å; P965-E1054 VanDerWaalsContact CD-OE1 3.23Å; P965-E1054 WeakPolarHBondContact CD-OE1 3.27Å; R1012-E1054 PolarHBondContact NH2-O 3.11Å; E1054-A1056 PolarHBondContact O-N 2.98Å
1055	P	67.1	Low	85.3	Confident	117 Å²	117	65.2 Å²	65.2	76%	0.76	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-51.3	131.4	169	-20.9	30.4	0	0	0	109.6	K1057	P1055-K1057 PolarHBondContact O-N 2.95Å; P1055-K1057 VanDerWaalsContact O-N 3.16Å
1056	A	61.1	Low	84.6	Confident	85 Å²	85	60.9 Å²	60.9	70%	0.702	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-58.5	123.1	171.4	0	0	0	0	0	108.4	E1054	E1054-A1056 PolarHBondContact O-N 2.98Å
1057	K	51.7	Low	83.6	Confident	272 Å²	272	64.7 Å²	64.7	100%	1.183	35%	0.345	S	S	*	.			trans	-66.8	0	177.1	-78.4	-174.6	179.1	174.8	0	112.2	P1055	P1055-K1057 PolarHBondContact O-N 2.95Å; P1055-K1057 VanDerWaalsContact O-N 3.16Å

Retrieved 1,057 of 1,057 residues in 1499.3 ms (Link to these results)

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