A0A087X472_POEFO Loading...

FERM, ARHGEF and pleckstrin domain-containing protein 2

Functions as a guanine nucleotide exchange factor that activates RAC1. May have relatively low activity. Plays a role in the response to class 3 semaphorins and remodeling of the actin cytoskeleton. Plays a role in TNFSF11-mediated osteoclast differentiation, especially in podosome rearrangement and reorganization of the actin cytoskeleton. Regulates the activation of ITGB3, integrin signaling and cell adhesion.

AlphaFold DB , UniProt , Accession A0A087X472, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,062 aa.

						>A0A087X472_POEFO|A0A087X472
MGEIEGSYRVLQTPGTRLGAQFNAGISTLEPGQSLSGNMVSGSKSHGLGLQVRVQGLDDSQEFFVIDPKLPGQNLLSEVFHRGNLIESDYFGVEFQNMQMNWVWLEPTKPIARQVRIPANTLFRLSVKFFPPDPGQLQEEYTRYLFSLQMKRDLMEGRLICTENTGALLASHIVQSEIGDHDDAADREFLRANKLLPYQDKVQERIMEFHRRHLGQTPAESDFQILEIARKLEMYGVRFHPAADREGTKINLTVAHMGLQVFQGNTKINTFNWSKIRKLSFKRKRFLIKLHPEVHGPHQDILEFMMASRDQCKNFWKICVEYHSFFRLFDQPEPKTKAILFTRGSSFRYSGRTQKQLVEYVRENGAKRTPYQRKNSKVRMSARSFTSDMPKQTLSFSDSPRAPCSLSSTAESFLPAHMTRIFPRTELQPQLQPFSALSPSPAAQQLPQSPAGAARPPSPSKEDSIKAVPPSHFSHQDSVMDNPQLSPLTSKGPLSLSPSFQMSTLSLPSQAPSPLQSPILSEVGSTARLEEEEEGRRKRYPTDKAYFIAKEILTTERTYLKDLEVITVWFRSAVIKENAMPEGLMTLLFSTIDPIYEFHRGFLKELDQRLALWEGRSNAHVKGDYQRIGDVMLKNMCALKEFTSYLQKHDEVLTELEKASKRIKKLETVYKEFELQKVCYLPLNTFLLKPIQRLMHYKLILERLCKHYSPAHRDYEDCKEALKEVAEIATQLQSSLIRLENFQKLTELQRDLIGIENLTAPGREFIREGCLYKLTKKGLQQRMFFLFSDMLLYTSKGVTATNQFKVHGQLPLHGMILIVLDAPVEESENEWSVPHCFTIYSAQRTIVVAASSKVEMGKWIEDLNLAIDLAKKSQEKSGVFLSTGLNDHSNRSSDEVSLEQESEDDMNSSRTSLDKQTHHRANTTMHVCWHRNTSVSMSDHSLAVENQLSGYLLRKFKNSNGWQKLWVVFTNFCLFFYKTHQDDFPLASLPLLGYTVSTPDESDSIHKEYVFKLQFKSHVYFFRAESEYTFERWMEVIKSAASTTGRISLLIPKGGPGEINGS
					

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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	38.6	Very low	29.2	Very low	137 Å²	137	149.9 Å²	149.9	68%	0.675	79%	0.792	S	S	*	*				0	96	0	-169.9	178.7	-60.2	0	0	106.9
2	G	27.4	Very low	28.7	Very low	68 Å²	68	151.7 Å²	151.7	70%	0.701	79%	0.792	S	S	*	*			trans	-71.8	175.5	-177.9	0	0	0	0	0	112.7
3	E	29	Very low	28.5	Very low	167 Å²	167	149.9 Å²	149.9	78%	0.78	79%	0.792	S	S	*	*			trans	-57.3	143.7	-166.5	-62.3	-158.5	87.4	0	0	115.1	E5 K335	E3-E5 PolarHBondContact O-N 3.09Å; E3-K335 IonicContact OE1-NZ 3.77Å; E3-K335 PolarHBondContact OE1-NZ 2.97Å; E3-K335 VanDerWaalsContact OE1-NZ 3.08Å
4	I	36.3	Very low	28.6	Very low	134 Å²	134	148.3 Å²	148.3	69%	0.687	80%	0.795	S	S	*	*			trans	-91.7	92.7	-179.8	-55.2	173	0	0	0	108.6
5	E	28.2	Very low	28.4	Very low	186 Å²	186	143 Å²	143	87%	0.869	79%	0.789	S	S	*	*			trans	-92.7	159.3	159.3	-153.4	175	-139.8	0	0	110.3	E3	E3-E5 PolarHBondContact O-N 3.09Å
6	G	29.1	Very low	28.3	Very low	70 Å²	70	141.9 Å²	141.9	72%	0.722	79%	0.788	S	S	*	*			trans	-163.3	87	-174.3	0	0	0	0	0	113.3
7	S	24.6	Very low	28.4	Very low	111 Å²	111	146.8 Å²	146.8	78%	0.776	79%	0.792	S	S	*	*			trans	-95.6	141.3	168.4	56.5	0	0	0	0	110.9
8	Y	30.1	Very low	28.3	Very low	224 Å²	224	147.1 Å²	147.1	88%	0.878	79%	0.792	S	S	*	*			trans	-138.3	123.5	167.8	-86.5	-81.2	0	0	0	108
9	R	26.6	Very low	28.3	Very low	254 Å²	254	142.8 Å²	142.8	96%	0.958	79%	0.786	S	S	*	*			trans	-70.1	147.6	169	-74.7	-175.8	173.2	-177.7	-2.1	109.7
10	V	26	Very low	28.1	Very low	125 Å²	125	140 Å²	140	76%	0.758	78%	0.782	S	S	*	*			trans	-101.5	141.8	-176.7	174.5	0	0	0	0	110.2
11	L	25.5	Very low	28	Very low	173 Å²	173	141.1 Å²	141.1	91%	0.906	78%	0.781	S	S	*	*			trans	-111.9	151.8	157.5	-79.9	168.2	0	0	0	109
12	Q	23.2	Very low	27.3	Very low	171 Å²	171	142.6 Å²	142.6	80%	0.799	78%	0.784	S	S	*	*			trans	-96.7	-177.8	-151.9	-68.5	-177.8	-32.6	0	0	115.7
13	T	26	Very low	27.2	Very low	129 Å²	129	145.8 Å²	145.8	79%	0.791	79%	0.785	S	S	*	*			trans	92.8	154.7	159.8	79.4	0	0	0	0	116.4
14	P	29.6	Very low	27	Very low	127 Å²	127	142.6 Å²	142.6	83%	0.825	79%	0.787	S	S	*	*				-135.8	164.3	-69.3	36.3	-20.6	0	0	0	115.4
15	G	26.7	Very low	26.5	Very low	69 Å²	69	139.4 Å²	139.4	71%	0.711	79%	0.788	S	S	*	*			trans	105.4	153.9	153.5	0	0	0	0	0	117.8
16	T	26.5	Very low	26.5	Very low	126 Å²	126	138.5 Å²	138.5	77%	0.773	79%	0.787	S	S	*	*			cis	-171.7	123.2	-27.3	-101.7	0	0	0	0	108.3
17	R	29.4	Very low	26.5	Very low	224 Å²	224	140.1 Å²	140.1	85%	0.845	79%	0.788	S	S	*	*			trans	63.1	164.3	161.4	-72.4	177.6	-179	-156.7	-1.4	117
18	L	27.2	Very low	26.7	Very low	153 Å²	153	140.3 Å²	140.3	80%	0.801	78%	0.784	S	S	*	*			cis	-152.2	165	-2.7	-126.6	164	0	0	0	110.2
19	G	26.9	Very low	26.6	Very low	65 Å²	65	137.2 Å²	137.2	67%	0.67	78%	0.782	S	S	*	*			trans	102.3	113.8	177.1	0	0	0	0	0	113.3
20	A	24.5	Very low	26.7	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	78%	0.775	S	S	*	*			cis	72	128.4	26.2	0	0	0	0	0	114.2
21	Q	26.6	Very low	26.9	Very low	163 Å²	163	133.2 Å²	133.2	76%	0.762	78%	0.777	S	S	*	*			cis	-161.6	151.2	0.9	-115.8	174.6	-57	0	0	112
22	F	24.5	Very low	27.4	Very low	168 Å²	168	128.7 Å²	128.7	74%	0.737	77%	0.771	S	S	*	*			trans	67.6	133.1	149.6	-83	-130.4	0	0	0	118.9
23	N	23.9	Very low	27.6	Very low	135 Å²	135	129.8 Å²	129.8	72%	0.722	78%	0.777	S	S	*	*				76.5	145.3	65.4	-69.8	-10.4	0	0	0	113.8
24	A	25.7	Very low	28	Very low	100 Å²	100	129.1 Å²	129.1	83%	0.826	78%	0.777	S	S	*	*			cis	-169.8	175.4	-16.4	0	0	0	0	0	109.9
25	G	25.1	Very low	27.9	Very low	67 Å²	67	131.4 Å²	131.4	69%	0.691	78%	0.781	S	S	*	*			trans	113.6	128.1	177.4	0	0	0	0	0	112.5
26	I	28.3	Very low	27.7	Very low	168 Å²	168	134.3 Å²	134.3	86%	0.862	79%	0.79	S	S	*	*			cis	89.4	98.9	29.1	-54.7	168.3	0	0	0	114.3
27	S	30.3	Very low	27.8	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	79%	0.785	S	S	*	*			trans	-170.7	111	152	-174.9	0	0	0	0	106.1
28	T	29.1	Very low	27.7	Very low	114 Å²	114	127.9 Å²	127.9	70%	0.699	78%	0.783	S	S	*	*				79.8	131.1	63.6	60.3	0	0	0	0	115.7
29	L	27.2	Very low	27.8	Very low	160 Å²	160	128.7 Å²	128.7	84%	0.838	79%	0.785	S	S	*	*			trans	84.9	104.5	169.7	-56.6	177.8	0	0	0	120.4
30	E	28.9	Very low	27.9	Very low	172 Å²	172	131.9 Å²	131.9	80%	0.804	79%	0.791	S	S	*	*				48.4	139.9	127.7	-61.8	-52.6	103.5	0	0	123.8
31	P	29	Very low	28.1	Very low	123 Å²	123	133.3 Å²	133.3	80%	0.799	80%	0.796	S	S	*	*			trans	-97.7	139.9	177.9	37.5	-31.9	0	0	0	114.5
32	G	35.9	Very low	28.1	Very low	77 Å²	77	128.7 Å²	128.7	79%	0.794	79%	0.792	S	S	*	*			trans	116.4	86.8	151.4	0	0	0	0	0	116.9
33	Q	29.3	Very low	28.2	Very low	195 Å²	195	126.2 Å²	126.2	91%	0.911	80%	0.796	S	S	*	*			trans	-144.9	130.3	151.7	-101.7	177.6	10.5	0	0	109.6
34	S	32.4	Very low	28.7	Very low	114 Å²	114	128.6 Å²	128.6	80%	0.797	80%	0.799	S	S	*	*			trans	-121.6	114.1	175.5	49.7	0	0	0	0	109.9
35	L	27.5	Very low	28.9	Very low	176 Å²	176	129.1 Å²	129.1	92%	0.921	80%	0.797	S	S	*	*			trans	-133.5	151.7	167.7	-76.8	177.8	0	0	0	110
36	S	24	Very low	29.6	Very low	129 Å²	129	132.8 Å²	132.8	90%	0.902	80%	0.796	S	S	*	*			trans	-133.1	143.2	-166	55.2	0	0	0	0	112.2
37	G	27.3	Very low	30.5	Very low	63 Å²	63	128.6 Å²	128.6	65%	0.649	79%	0.794	S	S	*	*			trans	154.6	113.5	175.8	0	0	0	0	0	109.5
38	N	27.4	Very low	31.7	Very low	152 Å²	152	131.7 Å²	131.7	81%	0.813	80%	0.802	S	S	*	*				63.5	124.7	63.4	-66.5	-15.7	0	0	0	111.6
39	M	29.2	Very low	33.5	Very low	171 Å²	171	128 Å²	128	84%	0.842	79%	0.786	S	S	*	*			cis	-144.6	179.4	-0.6	-51.2	-171	-177.6	0	0	108.4
40	V	30.5	Very low	36.1	Very low	131 Å²	131	122.7 Å²	122.7	79%	0.794	76%	0.759	S	S	*	*			cis	-154	163.4	-1.6	94.4	0	0	0	0	105.2
41	S	27.5	Very low	38.8	Very low	117 Å²	117	119.8 Å²	119.8	82%	0.818	75%	0.745	S	S	*	*			cis	-153.5	-168.9	28.1	-154.9	0	0	0	0	112
42	G	26.2	Very low	41.7	Very low	66 Å²	66	114 Å²	114	68%	0.68	71%	0.707	S	S	*	*			trans	116.5	88.9	157.5	0	0	0	0	0	116.2
43	S	28.5	Very low	44.3	Very low	117 Å²	117	115.3 Å²	115.3	82%	0.818	69%	0.688	S	S	*	*			trans	43.1	104.7	162.2	-166.1	0	0	0	0	118.7	S45	S43-S45 PolarHBondContact O-N 2.71Å
44	K	33.6	Very low	47.3	Very low	184 Å²	184	106.3 Å²	106.3	80%	0.8	65%	0.646	S	S	*	*			trans	-68	95.9	163.8	-72.1	-177.8	175.9	-177.2	0	111.3	H46	K44-H46 PolarHBondContact O-N 3.24Å
45	S	30.6	Very low	50.3	Low	112 Å²	112	102.5 Å²	102.5	78%	0.783	62%	0.616	S	S	*	*			trans	-83.7	89.3	151.8	64.1	0	0	0	0	109.1	S43 G47	S43-S45 PolarHBondContact O-N 2.71Å; S45-G47 PolarHBondContact O-N 2.7Å
46	H	39.7	Very low	53.4	Low	143 Å²	143	94.8 Å²	94.8	66%	0.662	58%	0.579	S	S	*	*			trans	-54.5	134.3	157.9	-79.1	-95.7	0	0	0	107.6	K44 L48	K44-H46 PolarHBondContact O-N 3.24Å; H46-L48 PolarHBondContact O-N 2.95Å
47	G	46.4	Very low	56.6	Low	80 Å²	80	88.8 Å²	88.8	83%	0.825	54%	0.537	S	S	*	.			trans	-62.8	100.2	178.4	0	0	0	0	0	109.8	S45 G49	S45-G47 PolarHBondContact O-N 2.7Å; G47-G49 PolarHBondContact O-N 3.48Å
48	L	56.3	Low	59.5	Low	170 Å²	170	87.3 Å²	87.3	89%	0.89	51%	0.514	S	S	*	.			trans	-58.9	105	178	-77.7	162.3	0	0	0	108.7	H46 L50	H46-L48 PolarHBondContact O-N 2.95Å; L48-L50 PolarHBondContact O-N 2.94Å
49	G	65.1	Low	62.3	Low	36 Å²	36	83.7 Å²	83.7	37%	0.371	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-58.6	123.3	173.4	0	0	0	0	0	108.8	G47 Q51 I66	G47-G49 PolarHBondContact O-N 3.48Å; G49-Q51 PolarHBondContact O-N 3.4Å; G49-I66 CarbonylContact C-O 3.6Å
50	L	82.1	Confident	65.2	Low	49 Å²	49	77.2 Å²	77.2	26%	0.257	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	116.5	-176.4	-167.9	66	0	0	0	108.5	L48 V52 I66 P68 P118 A119	L48-L50 PolarHBondContact O-N 2.94Å; L50-V52 HydrophobicContact CG-CG1 4.47Å; L50-V52 PolarHBondContact O-N 2.78Å; L50-I66 WeakPolarHBondContact CB-O 3.18Å; L50-I66 PolarHBondContact N-O 2.82Å; L50-I66 WeakPolarHBondContact O-CG1 3.43Å; L50-I66 PolarHBondContact O-N 2.83Å; L50-P68 HydrophobicContact CB-CG 4.24Å; L50-P68 HydrophobicContact CD2-CB 3.97Å; L50-P68 HydrophobicContact CD2-CG 4Å; L50-P118 HydrophobicContact CD2-CB 3.65Å; L50-P118 HydrophobicContact CD2-CG 3.74Å; L50-A119 HydrophobicContact CD1-CB 3.94Å; L50-A119 HydrophobicContact CG-CB 4.32Å
51	Q	86.3	Confident	68	Low	110 Å²	110	75.3 Å²	75.3	51%	0.514	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	120.8	173	-162.2	-177	35.5	0	0	108.8	G49 F63 F64	G49-Q51 PolarHBondContact O-N 3.4Å; Q51-F63 HydrophobicContact CG-CB 4.01Å; Q51-F63 HydrophobicContact CG-CD1 4Å; Q51-F63 HydrophobicContact CG-CG 4.44Å; Q51-F64 CarbonylContact C-O 3.57Å; Q51-F64 WeakPolarHBondContact CA-O 3.45Å
52	V	89.1	Confident	70.9	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.006	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149	173.4	-59.5	0	0	0	0	110.3	L50 F63 F64 I66 L75 P118 F123	L50-V52 HydrophobicContact CG-CG1 4.47Å; L50-V52 PolarHBondContact O-N 2.78Å; V52-F63 WeakPolarHBondContact O-CA 3.33Å; V52-F64 HydrophobicContact CG2-CB 4.06Å; V52-F64 PolarHBondContact N-O 2.82Å; V52-F64 PolarHBondContact O-N 3.22Å; V52-I66 HydrophobicContact CB-CD1 4.48Å; V52-I66 HydrophobicContact CG1-CD1 3.83Å; V52-I66 HydrophobicContact CG1-CG1 4.05Å; V52-I66 HydrophobicContact CG2-CD1 3.8Å; V52-I66 HydrophobicContact CG2-CG1 3.96Å; V52-L75 HydrophobicContact CG2-CD1 3.89Å; V52-L75 HydrophobicContact CG2-CD2 4.18Å; V52-P118 HydrophobicContact CG1-CB 3.96Å; V52-F123 HydrophobicContact CB-CD2 4.19Å; V52-F123 HydrophobicContact CB-CE2 3.92Å; V52-F123 HydrophobicContact CG1-CE2 4.08Å
53	R	90.9	Very high	74	Confident	106 Å²	106	74 Å²	74	40%	0.4	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.6	-177.8	-173.9	-166.5	-59.7	-136.8	6.9	109.7	Q61 F63 F123	R53-Q61 HydrophobicContact CG-CB 4.44Å; R53-F63 HydrophobicContact CB-CD1 4.22Å; R53-F63 HydrophobicContact CB-CE1 4Å; R53-F63 HydrophobicContact CG-CD1 4.46Å; R53-F63 HydrophobicContact CG-CE1 4Å; R53-F63 HydrophobicContact CG-CZ 4.25Å; R53-F123 PolarHBondContact O-N 3.25Å
54	V	93.3	Very high	76.9	Confident	5 Å²	5	68.6 Å²	68.6	3%	0.03	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.9	174	-172.8	0	0	0	0	108.9	E62 F64 L75 V79 F123	V54-E62 PolarHBondContact N-O 2.87Å; V54-E62 PolarHBondContact O-N 2.91Å; V54-F64 HydrophobicContact CB-CD2 3.97Å; V54-F64 HydrophobicContact CB-CE2 3.83Å; V54-F64 HydrophobicContact CG2-CD2 3.58Å; V54-F64 HydrophobicContact CG2-CE2 3.91Å; V54-F64 HydrophobicContact CG2-CG 4.45Å; V54-L75 HydrophobicContact CG2-CD1 4.18Å; V54-V79 HydrophobicContact CB-CG2 4.36Å; V54-V79 HydrophobicContact CG1-CG1 4.45Å; V54-V79 HydrophobicContact CG1-CG2 4.1Å; V54-V79 HydrophobicContact CG2-CG2 3.94Å; V54-F123 CarbonylContact C-O 3.51Å; V54-F123 WeakPolarHBondContact CA-O 3.2Å; V54-F123 HydrophobicContact CB-CB 4.47Å; V54-F123 HydrophobicContact CG1-CB 4.44Å; V54-F123 HydrophobicContact CG2-CB 4.04Å
55	Q	94.5	Very high	79.5	Confident	34 Å²	34	64.4 Å²	64.4	16%	0.159	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	131.6	172.1	-173	176.6	3.8	0	0	110.1	D59 S60 Q61 L122 F123 R124 L125	Q55-D59 PolarHBondContact NE2-OD1 3.41Å; Q55-S60 CarbonylContact C-O 3.55Å; Q55-S60 VanDerWaalsContact CA-O 3.25Å; Q55-S60 WeakPolarHBondContact CA-O 3.22Å; Q55-Q61 HydrophobicContact CG-CG 4.45Å; Q55-L122 HydrophobicContact CB-CD1 4.17Å; Q55-F123 PolarHBondContact N-O 3.5Å; Q55-R124 HydrophobicContact CB-CB 4.1Å; Q55-R124 CarbonylContact O-C 3.57Å; Q55-R124 WeakPolarHBondContact O-CA 3.44Å; Q55-L125 PolarHBondContact O-N 3.18Å
56	G	92.4	Very high	82.2	Confident	14 Å²	14	59.6 Å²	59.6	14%	0.144	33%	0.328	C	S	.	.			trans	-69.6	-172.7	174.5	0	0	0	0	0	113.1	S60 R152	G56-S60 PolarHBondContact N-O 3Å; G56-R152 PolarHBondContact O-NH2 2.79Å
57	L	92	Very high	84.5	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	31%	0.313	C	S	.	.	S	Bend	trans	-86.4	-20	168.5	-83.7	158.9	0	0	0	112.3	D59 F91 L125 V127 L145 L148 Q149	L57-D59 PolarHBondContact O-N 2.88Å; L57-F91 HydrophobicContact CD1-CD1 3.95Å; L57-F91 HydrophobicContact CD1-CE1 3.76Å; L57-L125 HydrophobicContact CD1-CD2 4.06Å; L57-L125 HydrophobicContact CD1-CG 4.09Å; L57-L125 HydrophobicContact CG-CD2 4.36Å; L57-L125 HydrophobicContact CG-CG 4.32Å; L57-V127 HydrophobicContact CD1-CG2 4.5Å; L57-L145 HydrophobicContact CB-CD2 3.97Å; L57-L145 HydrophobicContact CD1-CB 4.07Å; L57-L145 HydrophobicContact CD1-CD2 4.26Å; L57-L148 HydrophobicContact CB-CB 4.12Å; L57-L148 HydrophobicContact CB-CD1 4.39Å; L57-Q149 HydrophobicContact CD2-CB 4.05Å
58	D	87.6	Confident	86.4	Confident	32 Å²	32	53.5 Å²	53.5	17%	0.171	28%	0.283	C	S	.	.	S	Bend	trans	-86.3	14.6	171.4	64.5	-17	0	0	0	112.7	S60 L148	D58-S60 VanDerWaalsContact CG-OG 3.31Å; D58-S60 PolarHBondContact O-N 3.02Å; D58-S60 VanDerWaalsContact OD1-CB 3.3Å; D58-S60 WeakPolarHBondContact OD1-CB 3.38Å; D58-S60 PolarHBondContact OD1-N 3.13Å; D58-S60 PolarHBondContact OD1-OG 3.16Å; D58-S60 PolarHBondContact OD2-OG 3.38Å; D58-L148 HydrophobicContact CB-CD1 3.94Å
59	D	87.4	Confident	87.8	Confident	75 Å²	75	53 Å²	53	40%	0.401	27%	0.273	S	S	.	.	S	Bend	trans	55.7	8.8	-173.9	-63.9	-40.7	0	0	0	116.5	Q55 L57 R152	Q55-D59 PolarHBondContact NE2-OD1 3.41Å; L57-D59 PolarHBondContact O-N 2.88Å; D59-R152 IonicContact OD1-CZ 2.97Å; D59-R152 IonicContact OD1-NE 2.78Å; D59-R152 IonicContact OD1-NH2 2.68Å; D59-R152 PolarHBondContact OD1-NH2 3.04Å
60	S	88.3	Confident	89	Confident	36 Å²	36	54.7 Å²	54.7	25%	0.252	27%	0.274	S	S	.	.			trans	-59.1	152.8	168.2	69.4	0	0	0	0	111.3	Q55 G56 D58	Q55-S60 CarbonylContact C-O 3.55Å; Q55-S60 VanDerWaalsContact CA-O 3.25Å; Q55-S60 WeakPolarHBondContact CA-O 3.22Å; G56-S60 PolarHBondContact N-O 3Å; D58-S60 VanDerWaalsContact CG-OG 3.31Å; D58-S60 PolarHBondContact O-N 3.02Å; D58-S60 VanDerWaalsContact OD1-CB 3.3Å; D58-S60 WeakPolarHBondContact OD1-CB 3.38Å; D58-S60 PolarHBondContact OD1-N 3.13Å; D58-S60 PolarHBondContact OD1-OG 3.16Å; D58-S60 PolarHBondContact OD2-OG 3.38Å
61	Q	90	Very high	89.4	Confident	91 Å²	91	54.6 Å²	54.6	43%	0.425	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	108.5	179.6	-64.5	-176.6	17.2	0	0	110	R53 Q55	R53-Q61 HydrophobicContact CG-CB 4.44Å; Q55-Q61 HydrophobicContact CG-CG 4.45Å
62	E	89.6	Confident	89.6	Confident	63 Å²	63	49.3 Å²	49.3	29%	0.294	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.1	177	-70.1	-170	-171.4	0	0	110.8	V54 F64 K374	V54-E62 PolarHBondContact N-O 2.87Å; V54-E62 PolarHBondContact O-N 2.91Å; E62-F64 HydrophobicContact CB-CD2 4.49Å; E62-F64 HydrophobicContact CB-CE2 3.63Å; E62-F64 HydrophobicContact CB-CZ 4.15Å; E62-K374 IonicContact OE1-NZ 2.96Å; E62-K374 PolarHBondContact OE1-NZ 3.45Å; E62-K374 VanDerWaalsContact OE1-NZ 3.09Å
63	F	90.2	Very high	89.7	Confident	92 Å²	92	52.7 Å²	52.7	40%	0.404	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.7	-176.9	-68.3	-89.9	0	0	0	111	Q51 V52 R53	Q51-F63 HydrophobicContact CG-CB 4.01Å; Q51-F63 HydrophobicContact CG-CD1 4Å; Q51-F63 HydrophobicContact CG-CG 4.44Å; V52-F63 WeakPolarHBondContact O-CA 3.33Å; R53-F63 HydrophobicContact CB-CD1 4.22Å; R53-F63 HydrophobicContact CB-CE1 4Å; R53-F63 HydrophobicContact CG-CD1 4.46Å; R53-F63 HydrophobicContact CG-CE1 4Å; R53-F63 HydrophobicContact CG-CZ 4.25Å
64	F	89.4	Confident	89.6	Confident	4 Å²	4	51 Å²	51	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.9	-175.9	-66.1	-95.7	0	0	0	109.7	Q51 V52 V54 E62 L75 E78 V79 R82	Q51-F64 CarbonylContact C-O 3.57Å; Q51-F64 WeakPolarHBondContact CA-O 3.45Å; V52-F64 HydrophobicContact CG2-CB 4.06Å; V52-F64 PolarHBondContact N-O 2.82Å; V52-F64 PolarHBondContact O-N 3.22Å; V54-F64 HydrophobicContact CB-CD2 3.97Å; V54-F64 HydrophobicContact CB-CE2 3.83Å; V54-F64 HydrophobicContact CG2-CD2 3.58Å; V54-F64 HydrophobicContact CG2-CE2 3.91Å; V54-F64 HydrophobicContact CG2-CG 4.45Å; E62-F64 HydrophobicContact CB-CD2 4.49Å; E62-F64 HydrophobicContact CB-CE2 3.63Å; E62-F64 HydrophobicContact CB-CZ 4.15Å; F64-L75 HydrophobicContact CB-CD1 3.83Å; F64-L75 HydrophobicContact CG-CD1 4.07Å; F64-E78 HydrophobicContact CD1-CB 3.82Å; F64-E78 HydrophobicContact CE1-CB 4.09Å; F64-V79 HydrophobicContact CD1-CG2 4.26Å; F64-V79 HydrophobicContact CD2-CG2 4.27Å; F64-V79 HydrophobicContact CE1-CB 4.42Å; F64-V79 HydrophobicContact CE1-CG2 3.85Å; F64-V79 HydrophobicContact CE2-CG2 3.89Å; F64-V79 HydrophobicContact CG-CG2 4.45Å; F64-V79 HydrophobicContact CZ-CB 4.29Å; F64-V79 HydrophobicContact CZ-CG2 3.67Å; F64-R82 HydrophobicContact CE1-CB 4.39Å; F64-R82 HydrophobicContact CE1-CG 4.14Å
65	V	89	Confident	89.6	Confident	95 Å²	95	50.7 Å²	50.7	58%	0.576	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	114	178.4	178.5	0	0	0	0	108
66	I	87.2	Confident	89.4	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.3	-173.7	54.7	161.3	0	0	0	112.1	G49 L50 V52 P68 L75 I111	G49-I66 CarbonylContact C-O 3.6Å; L50-I66 WeakPolarHBondContact CB-O 3.18Å; L50-I66 PolarHBondContact N-O 2.82Å; L50-I66 WeakPolarHBondContact O-CG1 3.43Å; L50-I66 PolarHBondContact O-N 2.83Å; V52-I66 HydrophobicContact CB-CD1 4.48Å; V52-I66 HydrophobicContact CG1-CD1 3.83Å; V52-I66 HydrophobicContact CG1-CG1 4.05Å; V52-I66 HydrophobicContact CG2-CD1 3.8Å; V52-I66 HydrophobicContact CG2-CG1 3.96Å; I66-P68 WeakPolarHBondContact O-CD 3.09Å; I66-L75 HydrophobicContact CD1-CD2 4.38Å; I66-L75 HydrophobicContact CG2-CD1 4.12Å; I66-I111 HydrophobicContact CD1-CD1 3.52Å; I66-I111 HydrophobicContact CD1-CG2 4.35Å
67	D	88.1	Confident	89.4	Confident	65 Å²	65	51.9 Å²	51.9	35%	0.348	27%	0.272	S	S	.	.			trans	-77.3	116.3	161.1	177.5	-0.9	0	0	0	108.4	K69 L70	D67-K69 PolarHBondContact O-N 2.94Å; D67-K69 VanDerWaalsContact O-N 3.09Å; D67-K69 VanDerWaalsContact OD1-CB 3.25Å; D67-K69 WeakPolarHBondContact OD1-CB 3.15Å; D67-K69 VanDerWaalsContact OD1-CG 3.27Å; D67-K69 WeakPolarHBondContact OD1-CG 3.22Å; D67-K69 PolarHBondContact OD1-N 2.94Å; D67-L70 HydrophobicContact CB-CD1 3.97Å; D67-L70 HydrophobicContact CB-CG 3.99Å; D67-L70 WeakPolarHBondContact O-CB 3.33Å; D67-L70 PolarHBondContact O-N 3.26Å
68	P	84.8	Confident	89.3	Confident	30 Å²	30	55 Å²	55	20%	0.195	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.4	-179.1	31.3	-38.5	0	0	0	113.5	L50 I66 L70 I111 A112	L50-P68 HydrophobicContact CB-CG 4.24Å; L50-P68 HydrophobicContact CD2-CB 3.97Å; L50-P68 HydrophobicContact CD2-CG 4Å; I66-P68 WeakPolarHBondContact O-CD 3.09Å; P68-L70 VanDerWaalsContact C-N 3.32Å; P68-I111 PolarHBondContact O-N 2.76Å; P68-A112 HydrophobicContact CB-CB 4.22Å; P68-A112 VanDerWaalsContact O-CB 3.3Å; P68-A112 WeakPolarHBondContact O-CB 3.3Å; P68-A112 PolarHBondContact O-N 2.91Å
69	K	87	Confident	89.5	Confident	159 Å²	159	54 Å²	54	69%	0.691	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.2	169.9	-59.2	167.5	-172.8	167.6	0	112.6	D67 P110	D67-K69 PolarHBondContact O-N 2.94Å; D67-K69 VanDerWaalsContact O-N 3.09Å; D67-K69 VanDerWaalsContact OD1-CB 3.25Å; D67-K69 WeakPolarHBondContact OD1-CB 3.15Å; D67-K69 VanDerWaalsContact OD1-CG 3.27Å; D67-K69 WeakPolarHBondContact OD1-CG 3.22Å; D67-K69 PolarHBondContact OD1-N 2.94Å; K69-P110 WeakPolarHBondContact O-CB 3.23Å
70	L	89.6	Confident	89.7	Confident	72 Å²	72	51.8 Å²	51.8	38%	0.377	27%	0.269	S	S	.	.	S	Bend	trans	-74.3	154.8	-178.9	-67.2	175	0	0	0	112.4	D67 P68 N74 P110 I111	D67-L70 HydrophobicContact CB-CD1 3.97Å; D67-L70 HydrophobicContact CB-CG 3.99Å; D67-L70 WeakPolarHBondContact O-CB 3.33Å; D67-L70 PolarHBondContact O-N 3.26Å; P68-L70 VanDerWaalsContact C-N 3.32Å; L70-N74 HydrophobicContact CB-CB 4.33Å; L70-P110 VanDerWaalsContact O-CA 3.3Å; L70-P110 WeakPolarHBondContact O-CA 3.49Å; L70-I111 PolarHBondContact O-N 2.89Å
71	P	91.1	Very high	89.7	Confident	46 Å²	46	57.2 Å²	57.2	30%	0.299	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-57.8	152.1	175.3	-22.7	32.9	0	0	0	113.8	Q73 N74 P107 K109	P71-Q73 HydrophobicContact CB-CB 4.5Å; P71-Q73 PolarHBondContact O-N 3.13Å; P71-N74 WeakPolarHBondContact CD-OD1 3.38Å; P71-N74 WeakPolarHBondContact O-CB 3.3Å; P71-N74 PolarHBondContact O-N 3.1Å; P71-N74 PolarHBondContact O-OD1 3.48Å; P71-P107 WeakPolarHBondContact CB-O 3.32Å; P71-K109 CarbonylContact C-O 3.59Å; P71-K109 WeakPolarHBondContact CA-O 3.26Å
72	G	89.8	Confident	89.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-54.8	-25	174.5	0	0	0	0	0	114.2	N74 L75 L76 P107 K109	G72-N74 PolarHBondContact O-N 3.11Å; G72-L75 PolarHBondContact O-N 3.27Å; G72-L76 WeakPolarHBondContact O-CG 3.49Å; G72-L76 PolarHBondContact O-N 3.07Å; G72-L76 VanDerWaalsContact O-N 3.12Å; G72-P107 PolarHBondContact N-O 3Å; G72-P107 VanDerWaalsContact N-O 3.14Å; G72-K109 PolarHBondContact N-O 2.93Å
73	Q	90.8	Very high	89.1	Confident	71 Å²	71	56.9 Å²	56.9	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-55.4	-35.4	173.6	-174.2	58.9	63.2	0	0	112.8	P71 L76 S77 P107	P71-Q73 HydrophobicContact CB-CB 4.5Å; P71-Q73 PolarHBondContact O-N 3.13Å; Q73-L76 PolarHBondContact O-N 3.09Å; Q73-S77 PolarHBondContact NE2-OG 3.24Å; Q73-S77 WeakPolarHBondContact O-CB 3.32Å; Q73-S77 PolarHBondContact O-N 2.66Å; Q73-S77 PolarHBondContact O-OG 3.23Å; Q73-P107 HydrophobicContact CB-CB 4.03Å; Q73-P107 WeakPolarHBondContact CB-O 3.28Å; Q73-P107 PolarHBondContact N-O 2.78Å
74	N	90.4	Very high	88.8	Confident	70 Å²	70	56.7 Å²	56.7	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-43.8	-179.7	-69.1	78.9	0	0	0	111.9	L70 P71 G72 E78	L70-N74 HydrophobicContact CB-CB 4.33Å; P71-N74 WeakPolarHBondContact CD-OD1 3.38Å; P71-N74 WeakPolarHBondContact O-CB 3.3Å; P71-N74 PolarHBondContact O-N 3.1Å; P71-N74 PolarHBondContact O-OD1 3.48Å; G72-N74 PolarHBondContact O-N 3.11Å; N74-E78 PolarHBondContact O-N 3.22Å
75	L	91.6	Very high	88.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.1	-39.6	175.7	-179.9	61	0	0	0	111.5	V52 V54 F64 I66 G72 E78 V79 L105 I111 F123	V52-L75 HydrophobicContact CG2-CD1 3.89Å; V52-L75 HydrophobicContact CG2-CD2 4.18Å; V54-L75 HydrophobicContact CG2-CD1 4.18Å; F64-L75 HydrophobicContact CB-CD1 3.83Å; F64-L75 HydrophobicContact CG-CD1 4.07Å; I66-L75 HydrophobicContact CD1-CD2 4.38Å; I66-L75 HydrophobicContact CG2-CD1 4.12Å; G72-L75 PolarHBondContact O-N 3.27Å; L75-E78 PolarHBondContact O-N 3.34Å; L75-V79 HydrophobicContact CD1-CG2 4.09Å; L75-V79 HydrophobicContact CG-CG2 4.41Å; L75-V79 WeakPolarHBondContact O-CB 3.14Å; L75-V79 VanDerWaalsContact O-CG2 3.23Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 3.3Å; L75-L105 HydrophobicContact CB-CD2 4.34Å; L75-L105 HydrophobicContact CD2-CD2 4.02Å; L75-I111 HydrophobicContact CB-CD1 3.87Å; L75-I111 HydrophobicContact CD2-CD1 4.42Å; L75-F123 HydrophobicContact CD2-CD1 4.23Å; L75-F123 HydrophobicContact CD2-CE1 4.22Å; L75-F123 HydrophobicContact CD2-CG 4.5Å; L75-F123 HydrophobicContact CD2-CZ 4.49Å
76	L	92.3	Very high	88.6	Confident	12 Å²	12	55 Å²	55	6%	0.063	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-48.2	175.5	-69.3	167.3	0	0	0	111.4	G72 Q73 V79 F80 V93 L105 P107	G72-L76 WeakPolarHBondContact O-CG 3.49Å; G72-L76 PolarHBondContact O-N 3.07Å; G72-L76 VanDerWaalsContact O-N 3.12Å; Q73-L76 PolarHBondContact O-N 3.09Å; L76-V79 PolarHBondContact O-N 2.93Å; L76-F80 HydrophobicContact CB-CD2 4.4Å; L76-F80 HydrophobicContact CB-CE2 3.99Å; L76-F80 HydrophobicContact CB-CZ 4.48Å; L76-F80 HydrophobicContact CD2-CE2 4.3Å; L76-F80 HydrophobicContact CD2-CZ 4Å; L76-F80 WeakPolarHBondContact O-CB 3.47Å; L76-F80 WeakPolarHBondContact O-CD2 3.49Å; L76-F80 WeakPolarHBondContact O-CG 2.99Å; L76-F80 PolarHBondContact O-N 2.76Å; L76-V93 HydrophobicContact CD2-CB 3.8Å; L76-V93 HydrophobicContact CD2-CG2 3.79Å; L76-L105 HydrophobicContact CG-CD2 4.45Å; L76-P107 HydrophobicContact CD1-CB 4.07Å; L76-P107 HydrophobicContact CD1-CG 3.77Å
77	S	90.5	Very high	88.8	Confident	60 Å²	60	54.4 Å²	54.4	42%	0.42	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-42.1	178.2	-69.9	0	0	0	0	112.6	Q73 H81	Q73-S77 PolarHBondContact NE2-OG 3.24Å; Q73-S77 WeakPolarHBondContact O-CB 3.32Å; Q73-S77 PolarHBondContact O-N 2.66Å; Q73-S77 PolarHBondContact O-OG 3.23Å; S77-H81 WeakPolarHBondContact O-CB 3.47Å; S77-H81 PolarHBondContact O-N 3.23Å
78	E	90.8	Very high	88.9	Confident	71 Å²	71	52.1 Å²	52.1	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-48	173.8	-84.4	-69.2	122.4	0	0	112.3	F64 N74 L75 F80 H81 R82	F64-E78 HydrophobicContact CD1-CB 3.82Å; F64-E78 HydrophobicContact CE1-CB 4.09Å; N74-E78 PolarHBondContact O-N 3.22Å; L75-E78 PolarHBondContact O-N 3.34Å; E78-F80 PolarHBondContact O-N 3.18Å; E78-H81 PolarHBondContact O-N 2.9Å; E78-R82 WeakPolarHBondContact O-CG 3.35Å; E78-R82 PolarHBondContact O-N 2.97Å; E78-R82 IonicContact OE2-CZ 3.87Å; E78-R82 IonicContact OE2-NE 2.94Å; E78-R82 PolarHBondContact OE2-NE 2.92Å; E78-R82 IonicContact OE2-NH2 3.65Å; E78-R82 PolarHBondContact OE2-NH2 3.46Å
79	V	91.8	Very high	89.3	Confident	11 Å²	11	51.7 Å²	51.7	7%	0.067	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-45.4	179.7	168.8	0	0	0	0	111	V54 F64 L75 L76 G83 V93 L125	V54-V79 HydrophobicContact CB-CG2 4.36Å; V54-V79 HydrophobicContact CG1-CG1 4.45Å; V54-V79 HydrophobicContact CG1-CG2 4.1Å; V54-V79 HydrophobicContact CG2-CG2 3.94Å; F64-V79 HydrophobicContact CD1-CG2 4.26Å; F64-V79 HydrophobicContact CD2-CG2 4.27Å; F64-V79 HydrophobicContact CE1-CB 4.42Å; F64-V79 HydrophobicContact CE1-CG2 3.85Å; F64-V79 HydrophobicContact CE2-CG2 3.89Å; F64-V79 HydrophobicContact CG-CG2 4.45Å; F64-V79 HydrophobicContact CZ-CB 4.29Å; F64-V79 HydrophobicContact CZ-CG2 3.67Å; L75-V79 HydrophobicContact CD1-CG2 4.09Å; L75-V79 HydrophobicContact CG-CG2 4.41Å; L75-V79 WeakPolarHBondContact O-CB 3.14Å; L75-V79 VanDerWaalsContact O-CG2 3.23Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 3.3Å; L76-V79 PolarHBondContact O-N 2.93Å; V79-G83 PolarHBondContact O-N 3.38Å; V79-V93 HydrophobicContact CG1-CG2 4.32Å; V79-L125 HydrophobicContact CG1-CD1 4.35Å
80	F	91.5	Very high	89.7	Confident	27 Å²	27	44.1 Å²	44.1	12%	0.118	23%	0.229	C	C	.	.	H	α-helix	trans	-70.4	-34.4	178.9	-58.4	-29	0	0	0	112.6	L76 E78 N84 L85 F91 L125	L76-F80 HydrophobicContact CB-CD2 4.4Å; L76-F80 HydrophobicContact CB-CE2 3.99Å; L76-F80 HydrophobicContact CB-CZ 4.48Å; L76-F80 HydrophobicContact CD2-CE2 4.3Å; L76-F80 HydrophobicContact CD2-CZ 4Å; L76-F80 WeakPolarHBondContact O-CB 3.47Å; L76-F80 WeakPolarHBondContact O-CD2 3.49Å; L76-F80 WeakPolarHBondContact O-CG 2.99Å; L76-F80 PolarHBondContact O-N 2.76Å; E78-F80 PolarHBondContact O-N 3.18Å; F80-N84 PolarHBondContact O-N 3.33Å; F80-N84 VanDerWaalsContact O-N 3.16Å; F80-L85 HydrophobicContact CB-CB 4.16Å; F80-L85 HydrophobicContact CD1-CD1 3.79Å; F80-L85 HydrophobicContact CE1-CD1 4.45Å; F80-L85 PolarHBondContact O-N 2.81Å; F80-F91 HydrophobicContact CE1-CB 3.97Å; F80-F91 HydrophobicContact CZ-CB 4.32Å; F80-L125 HydrophobicContact CE1-CD1 3.92Å
81	H	87.4	Confident	90	Very high	150 Å²	150	41 Å²	41	69%	0.694	21%	0.212	S	C	*	.	H	α-helix	trans	-68.5	-48.3	177.3	-176.4	48.8	0	0	0	111.9	S77 E78 G83 N84	S77-H81 WeakPolarHBondContact O-CB 3.47Å; S77-H81 PolarHBondContact O-N 3.23Å; E78-H81 PolarHBondContact O-N 2.9Å; H81-G83 VanDerWaalsContact C-N 3.33Å; H81-G83 PolarHBondContact O-N 3.04Å; H81-N84 PolarHBondContact O-N 2.87Å; H81-N84 VanDerWaalsContact O-N 3.08Å
82	R	84.9	Confident	90.1	Very high	126 Å²	126	39.1 Å²	39.1	48%	0.475	20%	0.2	S	C	.	.	H	α-helix	trans	-66.5	-34.7	176.2	-64.4	-168.9	-161.1	-164.2	-1.8	112.8	F64 E78 N84	F64-R82 HydrophobicContact CE1-CB 4.39Å; F64-R82 HydrophobicContact CE1-CG 4.14Å; E78-R82 WeakPolarHBondContact O-CG 3.35Å; E78-R82 PolarHBondContact O-N 2.97Å; E78-R82 IonicContact OE2-CZ 3.87Å; E78-R82 IonicContact OE2-NE 2.94Å; E78-R82 PolarHBondContact OE2-NE 2.92Å; E78-R82 IonicContact OE2-NH2 3.65Å; E78-R82 PolarHBondContact OE2-NH2 3.46Å; R82-N84 PolarHBondContact O-N 2.71Å
83	G	82.3	Confident	90.3	Very high	21 Å²	21	39.1 Å²	39.1	22%	0.216	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-2.3	172.1	0	0	0	0	0	114.9	V79 H81 L85 Y141	V79-G83 PolarHBondContact O-N 3.38Å; H81-G83 VanDerWaalsContact C-N 3.33Å; H81-G83 PolarHBondContact O-N 3.04Å; G83-L85 PolarHBondContact O-N 3.04Å; G83-Y141 VanDerWaalsContact O-CE1 3.23Å; G83-Y141 WeakPolarHBondContact O-CE1 3.34Å
84	N	84.7	Confident	90.5	Very high	89 Å²	89	36.7 Å²	36.7	48%	0.476	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	36.3	-175.6	-160.9	24.8	0	0	0	113.7	F80 H81 R82 I86 T369	F80-N84 PolarHBondContact O-N 3.33Å; F80-N84 VanDerWaalsContact O-N 3.16Å; H81-N84 PolarHBondContact O-N 2.87Å; H81-N84 VanDerWaalsContact O-N 3.08Å; R82-N84 PolarHBondContact O-N 2.71Å; N84-I86 PolarHBondContact O-N 3.27Å; N84-T369 PolarHBondContact ND2-OG1 3.34Å
85	L	87.3	Confident	90.6	Very high	15 Å²	15	33.9 Å²	33.9	8%	0.079	17%	0.173	C	C	.	.			trans	-84.3	93.9	-171.5	-90	169.7	0	0	0	112	F80 G83 S88 F91 L125 Y141 L145	F80-L85 HydrophobicContact CB-CB 4.16Å; F80-L85 HydrophobicContact CD1-CD1 3.79Å; F80-L85 HydrophobicContact CE1-CD1 4.45Å; F80-L85 PolarHBondContact O-N 2.81Å; G83-L85 PolarHBondContact O-N 3.04Å; L85-S88 WeakPolarHBondContact O-CB 3.47Å; L85-F91 HydrophobicContact CD1-CD2 4.39Å; L85-F91 HydrophobicContact CD2-CD2 3.98Å; L85-F91 HydrophobicContact CD2-CE2 3.61Å; L85-F91 HydrophobicContact CD2-CZ 4.21Å; L85-L125 HydrophobicContact CD1-CD2 4.35Å; L85-Y141 HydrophobicContact CD2-CD1 4.42Å; L85-Y141 HydrophobicContact CD2-CE1 4.24Å; L85-Y141 HydrophobicContact CG-CE1 4.4Å; L85-L145 HydrophobicContact CD1-CD1 4.45Å; L85-L145 HydrophobicContact CD2-CD1 3.5Å; L85-L145 HydrophobicContact CG-CD1 4.28Å
86	I	86	Confident	90.3	Very high	47 Å²	47	37.6 Å²	37.6	24%	0.241	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-49.3	176.5	-51.5	-179.7	0	0	0	110.9	N84 S88 E139 R352 Y360 V361	N84-I86 PolarHBondContact O-N 3.27Å; I86-S88 PolarHBondContact O-N 3Å; I86-S88 VanDerWaalsContact O-N 3.09Å; I86-E139 HydrophobicContact CD1-CG 4.32Å; I86-R352 PolarHBondContact O-NH2 3.4Å; I86-R352 VanDerWaalsContact O-NH2 3.14Å; I86-Y360 HydrophobicContact CG2-CD1 4.41Å; I86-Y360 HydrophobicContact CG2-CE1 4.04Å; I86-V361 HydrophobicContact CG2-CG2 3.94Å
87	E	91.4	Very high	89.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	35.9	178.9	-67.6	-176.9	106.3	0	0	112.9	D89 Y90 Q138 E139 T142 L357 V361	E87-D89 VanDerWaalsContact C-N 3.27Å; E87-D89 PolarHBondContact O-N 3.33Å; E87-D89 VanDerWaalsContact O-N 3.09Å; E87-Y90 HydrophobicContact CB-CD2 4.01Å; E87-Y90 HydrophobicContact CB-CE2 4.33Å; E87-Y90 PolarHBondContact O-N 3.49Å; E87-Q138 PolarHBondContact OE1-N 2.63Å; E87-Q138 PolarHBondContact OE2-N 3.29Å; E87-E139 HydrophobicContact CG-CG 4.47Å; E87-E139 PolarHBondContact OE2-N 2.96Å; E87-T142 HydrophobicContact CB-CG2 4.12Å; E87-T142 WeakPolarHBondContact OE2-CB 3.44Å; E87-T142 PolarHBondContact OE2-OG1 2.86Å; E87-L357 HydrophobicContact CB-CD2 4.33Å; E87-V361 HydrophobicContact CG-CG2 3.71Å
88	S	91.8	Very high	89	Confident	17 Å²	17	42.4 Å²	42.4	12%	0.119	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-54.4	-32	-169	55.8	0	0	0	0	115.8	L85 I86 Y90 F91 R352	L85-S88 WeakPolarHBondContact O-CB 3.47Å; I86-S88 PolarHBondContact O-N 3Å; I86-S88 VanDerWaalsContact O-N 3.09Å; S88-Y90 PolarHBondContact O-N 3.03Å; S88-F91 PolarHBondContact O-N 3.21Å; S88-R352 PolarHBondContact OG-NH2 3.21Å; S88-R352 VanDerWaalsContact OG-NH2 3.17Å
89	D	93.1	Very high	88.3	Confident	22 Å²	22	45.3 Å²	45.3	12%	0.118	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66	-20.7	-173.9	-60.5	-110	0	0	0	113.2	E87 F91 F129 F325 G351 R352 L357	E87-D89 VanDerWaalsContact C-N 3.27Å; E87-D89 PolarHBondContact O-N 3.33Å; E87-D89 VanDerWaalsContact O-N 3.09Å; D89-F91 PolarHBondContact O-N 3.46Å; D89-F129 WeakPolarHBondContact O-CD2 3.46Å; D89-F129 WeakPolarHBondContact O-CE2 3.39Å; D89-F325 HydrophobicContact CB-CE2 3.96Å; D89-G351 WeakPolarHBondContact OD1-CA 3.27Å; D89-R352 PolarHBondContact OD1-N 3.47Å; D89-R352 IonicContact OD1-NE 2.92Å; D89-R352 IonicContact OD2-CZ 2.76Å; D89-R352 IonicContact OD2-NE 3.49Å; D89-R352 PolarHBondContact OD2-NE 2.97Å; D89-R352 IonicContact OD2-NH2 3.97Å; D89-R352 PolarHBondContact OD2-NH2 3.38Å; D89-L357 HydrophobicContact CB-CD1 4.37Å; D89-L357 HydrophobicContact CB-CD2 4.28Å
90	Y	94.6	Very high	87.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-64.7	-19.6	170	-73.3	-67.2	0	0	0	113.6	E87 S88 K128 F129 P131 L137 T142 F146 F325 Q354 L357	E87-Y90 HydrophobicContact CB-CD2 4.01Å; E87-Y90 HydrophobicContact CB-CE2 4.33Å; E87-Y90 PolarHBondContact O-N 3.49Å; S88-Y90 PolarHBondContact O-N 3.03Å; Y90-K128 WeakPolarHBondContact O-CA 3.43Å; Y90-K128 PolarHBondContact O-N 2.94Å; Y90-F129 HydrophobicContact CD1-CB 4.23Å; Y90-F129 WeakPolarHBondContact CD1-O 3.27Å; Y90-F129 PolarHBondContact O-N 2.83Å; Y90-P131 HydrophobicContact CE1-CB 4.35Å; Y90-P131 HydrophobicContact CE1-CG 4.21Å; Y90-L137 HydrophobicContact CD1-CD2 4.48Å; Y90-L137 HydrophobicContact CD2-CD2 3.9Å; Y90-L137 HydrophobicContact CE1-CD2 4.17Å; Y90-L137 HydrophobicContact CE2-CD2 3.53Å; Y90-L137 HydrophobicContact CG-CD2 4.35Å; Y90-T142 HydrophobicContact CD2-CG2 4.46Å; Y90-F146 HydrophobicContact CD1-CZ 4.21Å; Y90-F146 HydrophobicContact CG-CE2 4.28Å; Y90-F146 HydrophobicContact CG-CZ 4.14Å; Y90-F325 AromaticContact CD1-CE1 3.74Å; Y90-F325 HydrophobicContact CD1-CE1 3.74Å; Y90-F325 AromaticContact CD1-CZ 3.62Å; Y90-F325 HydrophobicContact CD1-CZ 3.62Å; Y90-F325 AromaticContact CE1-CE1 3.6Å; Y90-F325 HydrophobicContact CE1-CE1 3.6Å; Y90-F325 AromaticContact CE1-CZ 3.57Å; Y90-F325 HydrophobicContact CE1-CZ 3.57Å; Y90-F325 HydrophobicContact CG-CZ 4.25Å; Y90-Q354 HydrophobicContact CE1-CG 4.38Å; Y90-Q354 PolarHBondContact OH-NE2 3.25Å; Y90-L357 HydrophobicContact CD2-CD2 3.66Å; Y90-L357 HydrophobicContact CE2-CD2 3.51Å; Y90-L357 HydrophobicContact CG-CD2 4.44Å
91	F	95.3	Very high	87.2	Confident	7 Å²	7	54.1 Å²	54.1	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	164.7	-172.3	-58.2	-86.8	0	0	0	112.8	L57 F80 L85 S88 D89 L125 V127 T142 L145 F146	L57-F91 HydrophobicContact CD1-CD1 3.95Å; L57-F91 HydrophobicContact CD1-CE1 3.76Å; F80-F91 HydrophobicContact CE1-CB 3.97Å; F80-F91 HydrophobicContact CZ-CB 4.32Å; L85-F91 HydrophobicContact CD1-CD2 4.39Å; L85-F91 HydrophobicContact CD2-CD2 3.98Å; L85-F91 HydrophobicContact CD2-CE2 3.61Å; L85-F91 HydrophobicContact CD2-CZ 4.21Å; S88-F91 PolarHBondContact O-N 3.21Å; D89-F91 PolarHBondContact O-N 3.46Å; F91-L125 HydrophobicContact CB-CD1 4.01Å; F91-V127 HydrophobicContact CD1-CG2 3.99Å; F91-V127 HydrophobicContact CE1-CG2 3.72Å; F91-T142 HydrophobicContact CE2-CG2 4.02Å; F91-T142 HydrophobicContact CZ-CG2 4.04Å; F91-L145 HydrophobicContact CE1-CB 3.79Å; F91-L145 HydrophobicContact CE1-CD1 4.25Å; F91-L145 HydrophobicContact CZ-CB 3.77Å; F91-L145 HydrophobicContact CZ-CD1 3.93Å; F91-F146 HydrophobicContact CE1-CD2 4.21Å; F91-F146 HydrophobicContact CE1-CE2 4.2Å; F91-F146 HydrophobicContact CE2-CE2 4.41Å; F91-F146 AromaticContact CZ-CD2 3.92Å; F91-F146 HydrophobicContact CZ-CD2 3.92Å; F91-F146 AromaticContact CZ-CE2 3.86Å; F91-F146 HydrophobicContact CZ-CE2 3.86Å
92	G	94.7	Very high	87.2	Confident	5 Å²	5	50.8 Å²	50.8	5%	0.052	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	166.4	169.7	0	0	0	0	0	111.6	S126	G92-S126 PolarHBondContact N-O 2.95Å; G92-S126 PolarHBondContact O-N 2.91Å; G92-S126 VanDerWaalsContact O-O 3.08Å
93	V	94.5	Very high	87.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.2	169	173.3	0	0	0	0	108.8	L76 V79 L105 F123 R124	L76-V93 HydrophobicContact CD2-CB 3.8Å; L76-V93 HydrophobicContact CD2-CG2 3.79Å; V79-V93 HydrophobicContact CG1-CG2 4.32Å; V93-L105 WeakPolarHBondContact O-CB 3.38Å; V93-L105 PolarHBondContact O-N 3.34Å; V93-F123 HydrophobicContact CG1-CB 3.74Å; V93-F123 HydrophobicContact CG1-CD1 3.82Å; V93-F123 HydrophobicContact CG1-CG 4.23Å; V93-R124 WeakPolarHBondContact CA-O 3.37Å
94	E	93.7	Very high	87.8	Confident	19 Å²	19	47.7 Å²	47.7	9%	0.089	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.4	173.2	60.6	179.7	175.7	0	0	111.3	W102 V103 W104 F123 R124 S126	E94-W102 HydrophobicContact CB-CE3 4.37Å; E94-W102 HydrophobicContact CG-CD2 4.5Å; E94-W102 HydrophobicContact CG-CE3 3.87Å; E94-W102 HydrophobicContact CG-CZ3 4.48Å; E94-W102 WeakPolarHBondContact OE2-CB 3.44Å; E94-V103 VanDerWaalsContact CA-O 3.3Å; E94-V103 WeakPolarHBondContact CA-O 3.41Å; E94-W104 HydrophobicContact CB-CD2 4.43Å; E94-W104 HydrophobicContact CB-CE3 3.89Å; E94-W104 HydrophobicContact CB-CZ3 4.14Å; E94-W104 HydrophobicContact CG-CZ3 4.41Å; E94-F123 CarbonylContact O-C 3.6Å; E94-F123 WeakPolarHBondContact O-CA 3.49Å; E94-R124 HydrophobicContact CG-CG 3.72Å; E94-R124 PolarHBondContact N-O 2.97Å; E94-R124 PolarHBondContact O-N 2.94Å; E94-R124 IonicContact OE1-CZ 3.46Å; E94-R124 VanDerWaalsContact OE1-CZ 3.22Å; E94-R124 IonicContact OE1-NE 3.37Å; E94-R124 PolarHBondContact OE1-NE 3.35Å; E94-R124 IonicContact OE1-NH2 3.84Å; E94-R124 PolarHBondContact OE1-NH2 3.03Å; E94-S126 WeakPolarHBondContact OE1-CB 3.21Å; E94-S126 PolarHBondContact OE1-OG 3.19Å
95	F	92.4	Very high	88.2	Confident	11 Å²	11	43.7 Å²	43.7	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.2	179.5	69.2	-83.8	0	0	0	110.5	W102 V103 L105 Q114 V115 T121 F123	F95-W102 WeakPolarHBondContact O-CA 3.29Å; F95-V103 WeakPolarHBondContact CD1-O 3.34Å; F95-V103 HydrophobicContact CE1-CB 4.39Å; F95-V103 HydrophobicContact CE1-CG1 4.49Å; F95-V103 HydrophobicContact CZ-CB 4.4Å; F95-V103 PolarHBondContact N-O 3.39Å; F95-V103 PolarHBondContact O-N 3.45Å; F95-L105 HydrophobicContact CE1-CD1 4.39Å; F95-Q114 HydrophobicContact CZ-CB 4.34Å; F95-V115 HydrophobicContact CD1-CG2 4.22Å; F95-V115 HydrophobicContact CD2-CG2 3.83Å; F95-V115 HydrophobicContact CE1-CG2 4.13Å; F95-V115 HydrophobicContact CE2-CG2 3.74Å; F95-V115 HydrophobicContact CG-CG2 4.08Å; F95-V115 HydrophobicContact CZ-CG2 3.89Å; F95-T121 HydrophobicContact CB-CG2 3.83Å; F95-T121 HydrophobicContact CD2-CG2 4.21Å; F95-T121 HydrophobicContact CG-CG2 4.43Å; F95-F123 HydrophobicContact CB-CD1 3.83Å; F95-F123 HydrophobicContact CB-CE1 4.06Å; F95-F123 HydrophobicContact CB-CG 4.49Å; F95-F123 HydrophobicContact CD1-CE1 4.47Å; F95-F123 HydrophobicContact CG-CE1 4.37Å
96	Q	86.6	Confident	88.3	Confident	79 Å²	79	44.4 Å²	44.4	37%	0.369	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.1	174	-68.7	-174.5	-6	0	0	111.2	W102	Q96-W102 HydrophobicContact CG-CD2 3.83Å; Q96-W102 HydrophobicContact CG-CE3 3.79Å; Q96-W102 HydrophobicContact CG-CH2 3.79Å; Q96-W102 HydrophobicContact CG-CZ2 3.84Å; Q96-W102 HydrophobicContact CG-CZ3 3.77Å
97	N	80	Confident	88.4	Confident	43 Å²	43	42.9 Å²	42.9	23%	0.23	21%	0.21	C	C	.	.			trans	-83.2	-180	174.4	75.2	8.3	0	0	0	112.2	Q99 M100 N101 V103	N97-Q99 PolarHBondContact ND2-OE1 3.48Å; N97-Q99 PolarHBondContact O-N 2.77Å; N97-Q99 WeakPolarHBondContact OD1-CA 3.42Å; N97-Q99 WeakPolarHBondContact OD1-CB 3.32Å; N97-Q99 PolarHBondContact OD1-N 3.43Å; N97-Q99 PolarHBondContact OD1-OE1 3.3Å; N97-M100 PolarHBondContact O-N 2.86Å; N97-M100 PolarHBondContact OD1-N 3.03Å; N97-N101 PolarHBondContact N-O 3.3Å; N97-N101 PolarHBondContact OD1-N 3.09Å; N97-N101 PolarHBondContact OD1-O 2.99Å; N97-V103 HydrophobicContact CB-CG2 4.05Å
98	M	75.6	Confident	88.1	Confident	129 Å²	129	47.3 Å²	47.3	64%	0.635	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-8	179.5	-65.6	-107.6	63.1	0	0	114.5
99	Q	75.9	Confident	88	Confident	132 Å²	132	50.1 Å²	50.1	62%	0.617	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111	18.9	175.8	-61.1	79.4	23.8	0	0	111.7	N97 N101	N97-Q99 PolarHBondContact ND2-OE1 3.48Å; N97-Q99 PolarHBondContact O-N 2.77Å; N97-Q99 WeakPolarHBondContact OD1-CA 3.42Å; N97-Q99 WeakPolarHBondContact OD1-CB 3.32Å; N97-Q99 PolarHBondContact OD1-N 3.43Å; N97-Q99 PolarHBondContact OD1-OE1 3.3Å; Q99-N101 PolarHBondContact O-N 3.48Å; Q99-N101 PolarHBondContact O-ND2 2.84Å
100	M	79.1	Confident	87.9	Confident	142 Å²	142	50.8 Å²	50.8	70%	0.7	25%	0.252	S	S	*	.	S	Bend	trans	55.9	17.6	-176.1	-54.2	-54.4	-162.8	0	0	115.1	N97	N97-M100 PolarHBondContact O-N 2.86Å; N97-M100 PolarHBondContact OD1-N 3.03Å
101	N	81.1	Confident	87.6	Confident	82 Å²	82	50.8 Å²	50.8	44%	0.439	25%	0.252	S	S	.	.			trans	-87.1	136.4	174.5	-73.3	-115.6	0	0	0	109.3	N97 Q99	N97-N101 PolarHBondContact N-O 3.3Å; N97-N101 PolarHBondContact OD1-N 3.09Å; N97-N101 PolarHBondContact OD1-O 2.99Å; Q99-N101 PolarHBondContact O-N 3.48Å; Q99-N101 PolarHBondContact O-ND2 2.84Å
102	W	86.7	Confident	87.2	Confident	80 Å²	80	53.4 Å²	53.4	30%	0.303	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	132	170.3	-66.5	106.1	0	0	0	110.9	E94 F95 Q96 L122 R124	E94-W102 HydrophobicContact CB-CE3 4.37Å; E94-W102 HydrophobicContact CG-CD2 4.5Å; E94-W102 HydrophobicContact CG-CE3 3.87Å; E94-W102 HydrophobicContact CG-CZ3 4.48Å; E94-W102 WeakPolarHBondContact OE2-CB 3.44Å; F95-W102 WeakPolarHBondContact O-CA 3.29Å; Q96-W102 HydrophobicContact CG-CD2 3.83Å; Q96-W102 HydrophobicContact CG-CE3 3.79Å; Q96-W102 HydrophobicContact CG-CH2 3.79Å; Q96-W102 HydrophobicContact CG-CZ2 3.84Å; Q96-W102 HydrophobicContact CG-CZ3 3.77Å; W102-L122 HydrophobicContact CH2-CD2 4.47Å; W102-R124 HydrophobicContact CE3-CG 4.3Å; W102-R124 HydrophobicContact CH2-CG 4.01Å; W102-R124 HydrophobicContact CZ3-CG 3.73Å
103	V	88.1	Confident	86.9	Confident	33 Å²	33	63.1 Å²	63.1	20%	0.2	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.6	-179.6	-177.2	0	0	0	0	109.5	E94 F95 N97	E94-V103 VanDerWaalsContact CA-O 3.3Å; E94-V103 WeakPolarHBondContact CA-O 3.41Å; F95-V103 WeakPolarHBondContact CD1-O 3.34Å; F95-V103 HydrophobicContact CE1-CB 4.39Å; F95-V103 HydrophobicContact CE1-CG1 4.49Å; F95-V103 HydrophobicContact CZ-CB 4.4Å; F95-V103 PolarHBondContact N-O 3.39Å; F95-V103 PolarHBondContact O-N 3.45Å; N97-V103 HydrophobicContact CB-CG2 4.05Å
104	W	92	Very high	86.6	Confident	48 Å²	48	64.6 Å²	64.6	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	136.6	173.2	-62.4	114.9	0	0	0	112.2	E94 E106 K128	E94-W104 HydrophobicContact CB-CD2 4.43Å; E94-W104 HydrophobicContact CB-CE3 3.89Å; E94-W104 HydrophobicContact CB-CZ3 4.14Å; E94-W104 HydrophobicContact CG-CZ3 4.41Å; W104-E106 PolarHBondContact O-N 2.64Å; W104-K128 HydrophobicContact CD2-CD 4.21Å; W104-K128 HydrophobicContact CD2-CG 4.36Å; W104-K128 HydrophobicContact CE3-CD 4.35Å; W104-K128 HydrophobicContact CH2-CB 3.72Å; W104-K128 HydrophobicContact CH2-CG 4.1Å; W104-K128 HydrophobicContact CZ2-CB 3.93Å; W104-K128 HydrophobicContact CZ2-CG 3.85Å; W104-K128 HydrophobicContact CZ3-CB 4.13Å; W104-K128 HydrophobicContact CZ3-CG 4.46Å
105	L	91.8	Very high	86.2	Confident	6 Å²	6	64 Å²	64	3%	0.031	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-67.3	120.9	170	-173.7	66.4	0	0	0	110.2	L75 L76 V93 F95 P107 I111	L75-L105 HydrophobicContact CB-CD2 4.34Å; L75-L105 HydrophobicContact CD2-CD2 4.02Å; L76-L105 HydrophobicContact CG-CD2 4.45Å; V93-L105 WeakPolarHBondContact O-CB 3.38Å; V93-L105 PolarHBondContact O-N 3.34Å; F95-L105 HydrophobicContact CE1-CD1 4.39Å; L105-P107 WeakPolarHBondContact O-CD 3.35Å; L105-I111 HydrophobicContact CD1-CG1 4.45Å
106	E	89.3	Confident	85.5	Confident	29 Å²	29	73 Å²	73	14%	0.136	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-77.3	121.4	178.2	-59.7	179.4	-123.9	0	0	109.8	W104 T108 K109 Q114 K317	W104-E106 PolarHBondContact O-N 2.64Å; E106-T108 VanDerWaalsContact C-N 3.3Å; E106-T108 PolarHBondContact O-N 3.01Å; E106-K109 HydrophobicContact CB-CB 4.35Å; E106-K109 HydrophobicContact CB-CD 4.09Å; E106-K109 HydrophobicContact CB-CG 4.27Å; E106-K109 VanDerWaalsContact CD-CE 3.43Å; E106-K109 VanDerWaalsContact CD-NZ 3.3Å; E106-K109 HydrophobicContact CG-CD 4.4Å; E106-K109 PolarHBondContact O-N 2.86Å; E106-K109 WeakPolarHBondContact OE1-CE 3.41Å; E106-K109 IonicContact OE1-NZ 3.98Å; E106-K109 PolarHBondContact OE1-NZ 3.28Å; E106-K109 VanDerWaalsContact OE2-CE 3.22Å; E106-K109 WeakPolarHBondContact OE2-CE 3.37Å; E106-K109 IonicContact OE2-NZ 3.11Å; E106-K109 PolarHBondContact OE2-NZ 3.03Å; E106-Q114 VanDerWaalsContact CB-OE1 3.22Å; E106-Q114 PolarHBondContact O-NE2 3.38Å; E106-K317 IonicContact OE1-NZ 2.76Å; E106-K317 PolarHBondContact OE1-NZ 3.33Å; E106-K317 IonicContact OE2-NZ 3.2Å; E106-K317 PolarHBondContact OE2-NZ 2.84Å
107	P	88.6	Confident	85.3	Confident	15 Å²	15	73.7 Å²	73.7	10%	0.097	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-36	-172.6	-23.4	31.7	0	0	0	113.8	P71 G72 Q73 L76 L105 K109	P71-P107 WeakPolarHBondContact CB-O 3.32Å; G72-P107 PolarHBondContact N-O 3Å; G72-P107 VanDerWaalsContact N-O 3.14Å; Q73-P107 HydrophobicContact CB-CB 4.03Å; Q73-P107 WeakPolarHBondContact CB-O 3.28Å; Q73-P107 PolarHBondContact N-O 2.78Å; L76-P107 HydrophobicContact CD1-CB 4.07Å; L76-P107 HydrophobicContact CD1-CG 3.77Å; L105-P107 WeakPolarHBondContact O-CD 3.35Å; P107-K109 VanDerWaalsContact C-N 3.34Å; P107-K109 PolarHBondContact O-N 3.32Å
108	T	86.4	Confident	85.2	Confident	93 Å²	93	72.3 Å²	72.3	57%	0.571	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	3.5	-172.2	53.5	0	0	0	0	114.9	E106	E106-T108 VanDerWaalsContact C-N 3.3Å; E106-T108 PolarHBondContact O-N 3.01Å
109	K	88.8	Confident	85.2	Confident	77 Å²	77	68.2 Å²	68.2	34%	0.335	33%	0.333	S	S	.	.	S	Bend	trans	-114.6	138.8	-177.9	-76.1	-174.6	179.3	179.2	0	112.4	P71 G72 E106 P107 I111 Q114	P71-K109 CarbonylContact C-O 3.59Å; P71-K109 WeakPolarHBondContact CA-O 3.26Å; G72-K109 PolarHBondContact N-O 2.93Å; E106-K109 HydrophobicContact CB-CB 4.35Å; E106-K109 HydrophobicContact CB-CD 4.09Å; E106-K109 HydrophobicContact CB-CG 4.27Å; E106-K109 VanDerWaalsContact CD-CE 3.43Å; E106-K109 VanDerWaalsContact CD-NZ 3.3Å; E106-K109 HydrophobicContact CG-CD 4.4Å; E106-K109 PolarHBondContact O-N 2.86Å; E106-K109 WeakPolarHBondContact OE1-CE 3.41Å; E106-K109 IonicContact OE1-NZ 3.98Å; E106-K109 PolarHBondContact OE1-NZ 3.28Å; E106-K109 VanDerWaalsContact OE2-CE 3.22Å; E106-K109 WeakPolarHBondContact OE2-CE 3.37Å; E106-K109 IonicContact OE2-NZ 3.11Å; E106-K109 PolarHBondContact OE2-NZ 3.03Å; P107-K109 VanDerWaalsContact C-N 3.34Å; P107-K109 PolarHBondContact O-N 3.32Å; K109-I111 PolarHBondContact O-N 2.83Å; K109-Q114 HydrophobicContact CB-CG 3.89Å; K109-Q114 HydrophobicContact CD-CG 4.02Å; K109-Q114 PolarHBondContact O-NE2 3.24Å
110	P	90	Very high	85.4	Confident	35 Å²	35	68.7 Å²	68.7	23%	0.227	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-49.7	133.7	168.4	-31.8	38.5	0	0	0	113.1	K69 L70 A112 R113	K69-P110 WeakPolarHBondContact O-CB 3.23Å; L70-P110 VanDerWaalsContact O-CA 3.3Å; L70-P110 WeakPolarHBondContact O-CA 3.49Å; P110-A112 VanDerWaalsContact C-N 3.32Å; P110-A112 PolarHBondContact O-N 2.93Å; P110-R113 HydrophobicContact CB-CB 4.3Å; P110-R113 HydrophobicContact CB-CG 4.1Å; P110-R113 WeakPolarHBondContact O-CA 3.34Å; P110-R113 WeakPolarHBondContact O-CB 3.46Å; P110-R113 PolarHBondContact O-N 3.36Å
111	I	88.3	Confident	85.7	Confident	1 Å²	1	63 Å²	63	1%	0.005	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-61.5	-40.1	-175.5	-65.7	169.9	0	0	0	111.3	I66 P68 L70 L75 L105 K109 R113 Q114 V115 P118	I66-I111 HydrophobicContact CD1-CD1 3.52Å; I66-I111 HydrophobicContact CD1-CG2 4.35Å; P68-I111 PolarHBondContact O-N 2.76Å; L70-I111 PolarHBondContact O-N 2.89Å; L75-I111 HydrophobicContact CB-CD1 3.87Å; L75-I111 HydrophobicContact CD2-CD1 4.42Å; L105-I111 HydrophobicContact CD1-CG1 4.45Å; K109-I111 PolarHBondContact O-N 2.83Å; I111-R113 PolarHBondContact O-N 3.42Å; I111-R113 VanDerWaalsContact O-N 3.12Å; I111-Q114 PolarHBondContact O-N 3.39Å; I111-V115 HydrophobicContact CG2-CG2 4.44Å; I111-V115 PolarHBondContact O-N 3.24Å; I111-P118 HydrophobicContact CG2-CB 4.4Å; I111-P118 HydrophobicContact CG2-CG 4.4Å
112	A	87.3	Confident	86	Confident	61 Å²	61	62.1 Å²	62.1	50%	0.504	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-61.1	-17	173	0	0	0	0	0	114.7	P68 P110	P68-A112 HydrophobicContact CB-CB 4.22Å; P68-A112 VanDerWaalsContact O-CB 3.3Å; P68-A112 WeakPolarHBondContact O-CB 3.3Å; P68-A112 PolarHBondContact O-N 2.91Å; P110-A112 VanDerWaalsContact C-N 3.32Å; P110-A112 PolarHBondContact O-N 2.93Å
113	R	88	Confident	86.3	Confident	209 Å²	209	58.3 Å²	58.3	79%	0.789	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-95.5	3	174.2	-65.8	-176.6	177.7	-176.4	-0.8	113.1	P110 I111	P110-R113 HydrophobicContact CB-CB 4.3Å; P110-R113 HydrophobicContact CB-CG 4.1Å; P110-R113 WeakPolarHBondContact O-CA 3.34Å; P110-R113 WeakPolarHBondContact O-CB 3.46Å; P110-R113 PolarHBondContact O-N 3.36Å; I111-R113 PolarHBondContact O-N 3.42Å; I111-R113 VanDerWaalsContact O-N 3.12Å
114	Q	88.6	Confident	86.6	Confident	33 Å²	33	57.4 Å²	57.4	15%	0.154	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-39.6	178.9	-57.9	-167.5	77.1	0	0	111.7	F95 E106 K109 I111	F95-Q114 HydrophobicContact CZ-CB 4.34Å; E106-Q114 VanDerWaalsContact CB-OE1 3.22Å; E106-Q114 PolarHBondContact O-NE2 3.38Å; K109-Q114 HydrophobicContact CB-CG 3.89Å; K109-Q114 HydrophobicContact CD-CG 4.02Å; K109-Q114 PolarHBondContact O-NE2 3.24Å; I111-Q114 PolarHBondContact O-N 3.39Å
115	V	86.4	Confident	86.7	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.03	28%	0.282	C	S	.	.			trans	-121.1	121.1	-172.8	-173	0	0	0	0	109.3	F95 I111 P118 T121 F123	F95-V115 HydrophobicContact CD1-CG2 4.22Å; F95-V115 HydrophobicContact CD2-CG2 3.83Å; F95-V115 HydrophobicContact CE1-CG2 4.13Å; F95-V115 HydrophobicContact CE2-CG2 3.74Å; F95-V115 HydrophobicContact CG-CG2 4.08Å; F95-V115 HydrophobicContact CZ-CG2 3.89Å; I111-V115 HydrophobicContact CG2-CG2 4.44Å; I111-V115 PolarHBondContact O-N 3.24Å; V115-P118 HydrophobicContact CB-CB 4.37Å; V115-P118 HydrophobicContact CB-CG 4.12Å; V115-P118 HydrophobicContact CG1-CB 4.05Å; V115-P118 HydrophobicContact CG1-CG 4.1Å; V115-T121 HydrophobicContact CG1-CG2 3.76Å; V115-T121 WeakPolarHBondContact CG1-OG1 3.34Å; V115-F123 HydrophobicContact CB-CZ 4.45Å; V115-F123 HydrophobicContact CG1-CZ 4.21Å; V115-F123 HydrophobicContact CG2-CE1 3.94Å; V115-F123 HydrophobicContact CG2-CZ 3.9Å
116	R	77.8	Confident	86.9	Confident	200 Å²	200	55.6 Å²	55.6	76%	0.755	28%	0.281	S	S	*	.	S	Bend	trans	-71.2	-35.3	-173.3	-172.7	-179.5	177.8	-177.1	-0.9	113.4
117	I	81.2	Confident	87.2	Confident	95 Å²	95	54.3 Å²	54.3	49%	0.487	28%	0.275	S	S	.	.	S	Bend	trans	-138.9	76.1	-177.8	-47.7	178.5	0	0	0	108.5	A119 N120 T121	I117-A119 VanDerWaalsContact C-N 3.33Å; I117-A119 PolarHBondContact O-N 2.88Å; I117-N120 HydrophobicContact CG2-CB 3.97Å; I117-N120 PolarHBondContact O-N 2.87Å; I117-T121 PolarHBondContact O-N 3.38Å; I117-T121 PolarHBondContact O-OG1 3.09Å
118	P	77.5	Confident	87.5	Confident	13 Å²	13	54.4 Å²	54.4	8%	0.084	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-65.5	-31.3	-165.8	-16.7	26.9	0	0	0	114.4	L50 V52 I111 V115 N120 T121 F123	L50-P118 HydrophobicContact CD2-CB 3.65Å; L50-P118 HydrophobicContact CD2-CG 3.74Å; V52-P118 HydrophobicContact CG1-CB 3.96Å; I111-P118 HydrophobicContact CG2-CB 4.4Å; I111-P118 HydrophobicContact CG2-CG 4.4Å; V115-P118 HydrophobicContact CB-CB 4.37Å; V115-P118 HydrophobicContact CB-CG 4.12Å; V115-P118 HydrophobicContact CG1-CB 4.05Å; V115-P118 HydrophobicContact CG1-CG 4.1Å; P118-N120 VanDerWaalsContact C-N 3.27Å; P118-N120 PolarHBondContact O-N 2.96Å; P118-T121 PolarHBondContact O-N 2.92Å; P118-F123 HydrophobicContact CB-CZ 4.42Å
119	A	75.7	Confident	87.9	Confident	43 Å²	43	50.1 Å²	50.1	36%	0.355	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-61.2	-33.6	176.6	0	0	0	0	0	113.6	L50 I117	L50-A119 HydrophobicContact CD1-CB 3.94Å; L50-A119 HydrophobicContact CG-CB 4.32Å; I117-A119 VanDerWaalsContact C-N 3.33Å; I117-A119 PolarHBondContact O-N 2.88Å
120	N	80.8	Confident	88.1	Confident	143 Å²	143	46.9 Å²	46.9	77%	0.765	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-100.1	4.7	-178.6	-62.4	9.5	0	0	0	112.2	I117 P118	I117-N120 HydrophobicContact CG2-CB 3.97Å; I117-N120 PolarHBondContact O-N 2.87Å; P118-N120 VanDerWaalsContact C-N 3.27Å; P118-N120 PolarHBondContact O-N 2.96Å
121	T	86.4	Confident	88.1	Confident	21 Å²	21	45.2 Å²	45.2	13%	0.129	22%	0.222	C	C	.	.			trans	-93.1	124.9	179.3	-58.7	0	0	0	0	109.4	F95 V115 I117 P118 F123	F95-T121 HydrophobicContact CB-CG2 3.83Å; F95-T121 HydrophobicContact CD2-CG2 4.21Å; F95-T121 HydrophobicContact CG-CG2 4.43Å; V115-T121 HydrophobicContact CG1-CG2 3.76Å; V115-T121 WeakPolarHBondContact CG1-OG1 3.34Å; I117-T121 PolarHBondContact O-N 3.38Å; I117-T121 PolarHBondContact O-OG1 3.09Å; P118-T121 PolarHBondContact O-N 2.92Å; T121-F123 HydrophobicContact CG2-CE2 4.28Å; T121-F123 HydrophobicContact CG2-CZ 4.39Å; T121-F123 WeakPolarHBondContact O-CD2 3.38Å; T121-F123 PolarHBondContact O-N 2.99Å
122	L	85.6	Confident	88	Confident	64 Å²	64	47.6 Å²	47.6	34%	0.335	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	112.9	168.6	-176.9	62.8	0	0	0	109.3	Q55 W102	Q55-L122 HydrophobicContact CB-CD1 4.17Å; W102-L122 HydrophobicContact CH2-CD2 4.47Å
123	F	92.8	Very high	88	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143.5	163.7	-62.3	-92.1	0	0	0	108.3	V52 R53 V54 Q55 L75 V93 E94 F95 V115 P118 T121	V52-F123 HydrophobicContact CB-CD2 4.19Å; V52-F123 HydrophobicContact CB-CE2 3.92Å; V52-F123 HydrophobicContact CG1-CE2 4.08Å; R53-F123 PolarHBondContact O-N 3.25Å; V54-F123 CarbonylContact C-O 3.51Å; V54-F123 WeakPolarHBondContact CA-O 3.2Å; V54-F123 HydrophobicContact CB-CB 4.47Å; V54-F123 HydrophobicContact CG1-CB 4.44Å; V54-F123 HydrophobicContact CG2-CB 4.04Å; Q55-F123 PolarHBondContact N-O 3.5Å; L75-F123 HydrophobicContact CD2-CD1 4.23Å; L75-F123 HydrophobicContact CD2-CE1 4.22Å; L75-F123 HydrophobicContact CD2-CG 4.5Å; L75-F123 HydrophobicContact CD2-CZ 4.49Å; V93-F123 HydrophobicContact CG1-CB 3.74Å; V93-F123 HydrophobicContact CG1-CD1 3.82Å; V93-F123 HydrophobicContact CG1-CG 4.23Å; E94-F123 CarbonylContact O-C 3.6Å; E94-F123 WeakPolarHBondContact O-CA 3.49Å; F95-F123 HydrophobicContact CB-CD1 3.83Å; F95-F123 HydrophobicContact CB-CE1 4.06Å; F95-F123 HydrophobicContact CB-CG 4.49Å; F95-F123 HydrophobicContact CD1-CE1 4.47Å; F95-F123 HydrophobicContact CG-CE1 4.37Å; V115-F123 HydrophobicContact CB-CZ 4.45Å; V115-F123 HydrophobicContact CG1-CZ 4.21Å; V115-F123 HydrophobicContact CG2-CE1 3.94Å; V115-F123 HydrophobicContact CG2-CZ 3.9Å; P118-F123 HydrophobicContact CB-CZ 4.42Å; T121-F123 HydrophobicContact CG2-CE2 4.28Å; T121-F123 HydrophobicContact CG2-CZ 4.39Å; T121-F123 WeakPolarHBondContact O-CD2 3.38Å; T121-F123 PolarHBondContact O-N 2.99Å
124	R	94.4	Very high	87.6	Confident	15 Å²	15	38.1 Å²	38.1	6%	0.057	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.1	169.8	71.5	-179.4	-173	175.3	5.2	112.2	Q55 V93 E94 W102 E156	Q55-R124 HydrophobicContact CB-CB 4.1Å; Q55-R124 CarbonylContact O-C 3.57Å; Q55-R124 WeakPolarHBondContact O-CA 3.44Å; V93-R124 WeakPolarHBondContact CA-O 3.37Å; E94-R124 HydrophobicContact CG-CG 3.72Å; E94-R124 PolarHBondContact N-O 2.97Å; E94-R124 PolarHBondContact O-N 2.94Å; E94-R124 IonicContact OE1-CZ 3.46Å; E94-R124 VanDerWaalsContact OE1-CZ 3.22Å; E94-R124 IonicContact OE1-NE 3.37Å; E94-R124 PolarHBondContact OE1-NE 3.35Å; E94-R124 IonicContact OE1-NH2 3.84Å; E94-R124 PolarHBondContact OE1-NH2 3.03Å; W102-R124 HydrophobicContact CE3-CG 4.3Å; W102-R124 HydrophobicContact CH2-CG 4.01Å; W102-R124 HydrophobicContact CZ3-CG 3.73Å; R124-E156 IonicContact CZ-OE1 2.67Å; R124-E156 IonicContact NH1-OE1 2.66Å; R124-E156 PolarHBondContact NH1-OE1 3.48Å; R124-E156 IonicContact NH1-OE2 3.92Å; R124-E156 IonicContact NH2-OE1 3.68Å
125	L	95.7	Very high	87.3	Confident	13 Å²	13	38.5 Å²	38.5	7%	0.068	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.4	167	-175.1	68.5	0	0	0	108.9	Q55 L57 V79 F80 L85 F91 R152	Q55-L125 PolarHBondContact O-N 3.18Å; L57-L125 HydrophobicContact CD1-CD2 4.06Å; L57-L125 HydrophobicContact CD1-CG 4.09Å; L57-L125 HydrophobicContact CG-CD2 4.36Å; L57-L125 HydrophobicContact CG-CG 4.32Å; V79-L125 HydrophobicContact CG1-CD1 4.35Å; F80-L125 HydrophobicContact CE1-CD1 3.92Å; L85-L125 HydrophobicContact CD1-CD2 4.35Å; F91-L125 HydrophobicContact CB-CD1 4.01Å; L125-R152 PolarHBondContact O-NH1 3.48Å
126	S	95.8	Very high	87.3	Confident	3 Å²	3	41 Å²	41	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.4	175.8	-75.2	0	0	0	0	109.9	G92 E94 K128	G92-S126 PolarHBondContact N-O 2.95Å; G92-S126 PolarHBondContact O-N 2.91Å; G92-S126 VanDerWaalsContact O-O 3.08Å; E94-S126 WeakPolarHBondContact OE1-CB 3.21Å; E94-S126 PolarHBondContact OE1-OG 3.19Å; S126-K128 PolarHBondContact O-N 2.83Å
127	V	95.7	Very high	87.9	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.6	168.5	175.5	0	0	0	0	108.9	L57 F91 F130 F146 Q149	L57-V127 HydrophobicContact CD1-CG2 4.5Å; F91-V127 HydrophobicContact CD1-CG2 3.99Å; F91-V127 HydrophobicContact CE1-CG2 3.72Å; V127-F130 HydrophobicContact CB-CE1 3.93Å; V127-F130 HydrophobicContact CB-CE2 4.2Å; V127-F130 HydrophobicContact CB-CZ 3.63Å; V127-F130 HydrophobicContact CG1-CD1 3.91Å; V127-F130 HydrophobicContact CG1-CD2 4.09Å; V127-F130 HydrophobicContact CG1-CE1 3.58Å; V127-F130 HydrophobicContact CG1-CE2 3.78Å; V127-F130 HydrophobicContact CG1-CG 4.15Å; V127-F130 HydrophobicContact CG1-CZ 3.51Å; V127-F146 HydrophobicContact CB-CZ 4.45Å; V127-F146 HydrophobicContact CG1-CD1 4.19Å; V127-F146 HydrophobicContact CG1-CE1 3.48Å; V127-F146 VanDerWaalsContact CG1-CE1 3.48Å; V127-F146 HydrophobicContact CG1-CE2 4.04Å; V127-F146 HydrophobicContact CG1-CZ 3.41Å; V127-F146 VanDerWaalsContact CG1-CZ 3.41Å; V127-F146 HydrophobicContact CG2-CD1 4.24Å; V127-F146 HydrophobicContact CG2-CD2 3.94Å; V127-F146 HydrophobicContact CG2-CE1 4.26Å; V127-F146 HydrophobicContact CG2-CE2 3.98Å; V127-F146 HydrophobicContact CG2-CG 4.1Å; V127-F146 HydrophobicContact CG2-CZ 4.15Å; V127-Q149 HydrophobicContact CB-CB 4.39Å; V127-Q149 HydrophobicContact CB-CG 3.92Å; V127-Q149 HydrophobicContact CG2-CB 3.7Å; V127-Q149 HydrophobicContact CG2-CG 3.81Å
128	K	93.8	Very high	88.2	Confident	18 Å²	18	31.3 Å²	31.3	8%	0.078	18%	0.18	C	C	.	.			trans	-102.1	-34.9	-177.7	-176.2	171.6	-178.5	177.9	0	113	Y90 W104 S126 E321 Y322	Y90-K128 WeakPolarHBondContact O-CA 3.43Å; Y90-K128 PolarHBondContact O-N 2.94Å; W104-K128 HydrophobicContact CD2-CD 4.21Å; W104-K128 HydrophobicContact CD2-CG 4.36Å; W104-K128 HydrophobicContact CE3-CD 4.35Å; W104-K128 HydrophobicContact CH2-CB 3.72Å; W104-K128 HydrophobicContact CH2-CG 4.1Å; W104-K128 HydrophobicContact CZ2-CB 3.93Å; W104-K128 HydrophobicContact CZ2-CG 3.85Å; W104-K128 HydrophobicContact CZ3-CB 4.13Å; W104-K128 HydrophobicContact CZ3-CG 4.46Å; S126-K128 PolarHBondContact O-N 2.83Å; K128-E321 VanDerWaalsContact CE-OE2 3.27Å; K128-E321 WeakPolarHBondContact CE-OE2 3.3Å; K128-E321 IonicContact NZ-OE1 2.6Å; K128-E321 PolarHBondContact NZ-OE1 2.79Å; K128-E321 IonicContact NZ-OE2 2.72Å; K128-E321 PolarHBondContact NZ-OE2 2.84Å; K128-Y322 WeakPolarHBondContact O-CE2 3.45Å; K128-Y322 PolarHBondContact O-OH 2.86Å
129	F	94.9	Very high	88.6	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.009	18%	0.183	C	C	.	.			trans	-124.5	123.4	178.5	-56.8	-60.6	0	0	0	110.6	D89 Y90 E321 Y322 F325 F326 Y349	D89-F129 WeakPolarHBondContact O-CD2 3.46Å; D89-F129 WeakPolarHBondContact O-CE2 3.39Å; Y90-F129 HydrophobicContact CD1-CB 4.23Å; Y90-F129 WeakPolarHBondContact CD1-O 3.27Å; Y90-F129 PolarHBondContact O-N 2.83Å; F129-E321 HydrophobicContact CE1-CB 4.15Å; F129-E321 HydrophobicContact CZ-CB 4.08Å; F129-Y322 HydrophobicContact CD1-CD1 4.31Å; F129-Y322 AromaticContact CD1-CD2 3.61Å; F129-Y322 HydrophobicContact CD1-CD2 3.61Å; F129-Y322 HydrophobicContact CD1-CE1 4.4Å; F129-Y322 AromaticContact CD1-CE2 3.67Å; F129-Y322 HydrophobicContact CD1-CE2 3.67Å; F129-Y322 AromaticContact CD1-CG 3.95Å; F129-Y322 HydrophobicContact CD1-CG 3.95Å; F129-Y322 AromaticContact CE1-CD2 3.56Å; F129-Y322 HydrophobicContact CE1-CD2 3.56Å; F129-Y322 AromaticContact CE1-CE2 3.95Å; F129-Y322 HydrophobicContact CE1-CE2 3.95Å; F129-Y322 HydrophobicContact CE1-CG 4.09Å; F129-F325 HydrophobicContact CB-CD1 3.69Å; F129-F325 HydrophobicContact CB-CE1 3.64Å; F129-F325 HydrophobicContact CB-CZ 4.45Å; F129-F325 HydrophobicContact CD1-CB 4.34Å; F129-F325 HydrophobicContact CD1-CD1 4.14Å; F129-F325 HydrophobicContact CD1-CG 4.38Å; F129-F325 HydrophobicContact CD2-CB 4.22Å; F129-F325 AromaticContact CD2-CD1 3.62Å; F129-F325 HydrophobicContact CD2-CD1 3.62Å; F129-F325 AromaticContact CD2-CD2 3.9Å; F129-F325 HydrophobicContact CD2-CD2 3.9Å; F129-F325 AromaticContact CD2-CE1 3.86Å; F129-F325 HydrophobicContact CD2-CE1 3.86Å; F129-F325 HydrophobicContact CD2-CE2 4.13Å; F129-F325 AromaticContact CD2-CG 3.64Å; F129-F325 HydrophobicContact CD2-CG 3.64Å; F129-F325 HydrophobicContact CD2-CZ 4.1Å; F129-F325 HydrophobicContact CE1-CB 4.11Å; F129-F325 HydrophobicContact CE2-CB 3.99Å; F129-F325 HydrophobicContact CE2-CD1 4.25Å; F129-F325 AromaticContact CE2-CD2 3.94Å; F129-F325 HydrophobicContact CE2-CD2 3.94Å; F129-F325 HydrophobicContact CE2-CE2 4.49Å; F129-F325 AromaticContact CE2-CG 3.8Å; F129-F325 HydrophobicContact CE2-CG 3.8Å; F129-F325 HydrophobicContact CG-CB 4.4Å; F129-F325 AromaticContact CG-CD1 3.56Å; F129-F325 HydrophobicContact CG-CD1 3.56Å; F129-F325 AromaticContact CG-CE1 3.92Å; F129-F325 HydrophobicContact CG-CE1 3.92Å; F129-F325 AromaticContact CG-CG 3.96Å; F129-F325 HydrophobicContact CG-CG 3.96Å; F129-F325 HydrophobicContact CZ-CB 3.93Å; F129-F325 HydrophobicContact CZ-CG 4.24Å; F129-F326 HydrophobicContact CB-CE2 3.84Å; F129-F326 HydrophobicContact CB-CZ 3.82Å; F129-F326 HydrophobicContact CD1-CE2 4.17Å; F129-F326 HydrophobicContact CG-CE2 4.33Å; F129-Y349 HydrophobicContact CE2-CE2 4.1Å; F129-Y349 AromaticContact CZ-CE2 3.91Å; F129-Y349 HydrophobicContact CZ-CE2 3.91Å
130	F	93.6	Very high	89.2	Confident	9 Å²	9	32.4 Å²	32.4	4%	0.039	18%	0.177	C	C	.	.			trans	-101.8	110.5	-179.5	-66.9	-93.2	0	0	0	110.3	V127 F146 Q149 M150 Y235 G236 F326	V127-F130 HydrophobicContact CB-CE1 3.93Å; V127-F130 HydrophobicContact CB-CE2 4.2Å; V127-F130 HydrophobicContact CB-CZ 3.63Å; V127-F130 HydrophobicContact CG1-CD1 3.91Å; V127-F130 HydrophobicContact CG1-CD2 4.09Å; V127-F130 HydrophobicContact CG1-CE1 3.58Å; V127-F130 HydrophobicContact CG1-CE2 3.78Å; V127-F130 HydrophobicContact CG1-CG 4.15Å; V127-F130 HydrophobicContact CG1-CZ 3.51Å; F130-F146 HydrophobicContact CD1-CE1 4.17Å; F130-Q149 HydrophobicContact CE1-CG 4.05Å; F130-Q149 HydrophobicContact CZ-CG 3.99Å; F130-M150 HydrophobicContact CD1-CE 4.43Å; F130-M150 HydrophobicContact CE1-CE 3.7Å; F130-Y235 HydrophobicContact CB-CE1 4.17Å; F130-Y235 HydrophobicContact CD1-CE2 4.05Å; F130-G236 VanDerWaalsContact CD2-CA 3.43Å; F130-G236 VanDerWaalsContact CG-CA 3.43Å; F130-F326 WeakPolarHBondContact O-CZ 3.39Å
131	P	90.6	Very high	89.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.			trans	-70.3	153.5	176.1	30.7	-33	0	0	0	110.7	Y90 D133 Q136 L137 F146 Y235	Y90-P131 HydrophobicContact CE1-CB 4.35Å; Y90-P131 HydrophobicContact CE1-CG 4.21Å; P131-D133 PolarHBondContact O-N 3.33Å; P131-Q136 HydrophobicContact CB-CB 4.43Å; P131-L137 HydrophobicContact CG-CD2 3.93Å; P131-L137 HydrophobicContact CG-CG 4.26Å; P131-F146 HydrophobicContact CG-CE1 4.43Å; P131-Y235 WeakPolarHBondContact O-CE1 3.3Å; P131-Y235 PolarHBondContact O-OH 2.79Å; P131-Y235 VanDerWaalsContact O-OH 3.12Å
132	P	86.6	Confident	89.9	Confident	51 Å²	51	27.7 Å²	27.7	33%	0.331	15%	0.147	S	C	.	.	S	Bend	trans	-67.6	-22	177.9	27.1	-34.5	0	0	0	114
133	D	85.6	Confident	90.3	Very high	71 Å²	71	26.8 Å²	26.8	38%	0.38	14%	0.139	S	C	.	.			trans	-136.8	116.2	-168.7	173.3	5.3	0	0	0	108.7	P131 G135 Q136	P131-D133 PolarHBondContact O-N 3.33Å; D133-G135 PolarHBondContact O-N 2.62Å; D133-G135 PolarHBondContact OD1-N 2.81Å; D133-Q136 HydrophobicContact CB-CG 4.03Å; D133-Q136 VanDerWaalsContact O-CB 3.32Å; D133-Q136 WeakPolarHBondContact O-CB 3.44Å; D133-Q136 WeakPolarHBondContact O-CG 3.47Å; D133-Q136 PolarHBondContact O-N 3.46Å; D133-Q136 VanDerWaalsContact O-N 3.07Å
134	P	80.4	Confident	90.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-59.7	-24.7	177.3	-25	35.1	0	0	0	113.7	Q136 L137 F223 L226 R230	P134-Q136 PolarHBondContact O-N 3.24Å; P134-Q136 VanDerWaalsContact O-N 3.17Å; P134-L137 WeakPolarHBondContact O-CB 3.38Å; P134-L137 PolarHBondContact O-N 3Å; P134-F223 HydrophobicContact CB-CD2 4.31Å; P134-F223 HydrophobicContact CB-CE2 3.97Å; P134-L226 HydrophobicContact CB-CB 3.76Å; P134-L226 HydrophobicContact CB-CD1 4.16Å; P134-L226 HydrophobicContact CG-CB 3.57Å; P134-R230 VanDerWaalsContact CD-CD 3.42Å
135	G	82.3	Confident	90.3	Very high	42 Å²	42	26.7 Å²	26.7	43%	0.433	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-66.3	-8.9	174	0	0	0	0	0	114.2	D133 Q138	D133-G135 PolarHBondContact O-N 2.62Å; D133-G135 PolarHBondContact OD1-N 2.81Å; G135-Q138 PolarHBondContact O-NE2 2.91Å
136	Q	86	Confident	90.3	Very high	56 Å²	56	26 Å²	26	26%	0.262	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-77.9	-21.1	170.8	-62	179.6	0.8	0	0	112.7	P131 D133 P134 Q138	P131-Q136 HydrophobicContact CB-CB 4.43Å; D133-Q136 HydrophobicContact CB-CG 4.03Å; D133-Q136 VanDerWaalsContact O-CB 3.32Å; D133-Q136 WeakPolarHBondContact O-CB 3.44Å; D133-Q136 WeakPolarHBondContact O-CG 3.47Å; D133-Q136 PolarHBondContact O-N 3.46Å; D133-Q136 VanDerWaalsContact O-N 3.07Å; P134-Q136 PolarHBondContact O-N 3.24Å; P134-Q136 VanDerWaalsContact O-N 3.17Å; Q136-Q138 PolarHBondContact O-N 2.74Å; Q136-Q138 PolarHBondContact O-NE2 2.76Å
137	L	90.4	Very high	90.3	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	14%	0.136	C	C	.	.			trans	-78.3	110.5	175.5	-56.3	179.6	0	0	0	109.2	Y90 P131 P134 T142 R143 F146 L226	Y90-L137 HydrophobicContact CD1-CD2 4.48Å; Y90-L137 HydrophobicContact CD2-CD2 3.9Å; Y90-L137 HydrophobicContact CE1-CD2 4.17Å; Y90-L137 HydrophobicContact CE2-CD2 3.53Å; Y90-L137 HydrophobicContact CG-CD2 4.35Å; P131-L137 HydrophobicContact CG-CD2 3.93Å; P131-L137 HydrophobicContact CG-CG 4.26Å; P134-L137 WeakPolarHBondContact O-CB 3.38Å; P134-L137 PolarHBondContact O-N 3Å; L137-T142 HydrophobicContact CB-CG2 4.3Å; L137-T142 HydrophobicContact CD1-CG2 4.31Å; L137-T142 HydrophobicContact CD2-CG2 3.88Å; L137-T142 HydrophobicContact CG-CG2 4.39Å; L137-R143 HydrophobicContact CB-CG 3.79Å; L137-R143 HydrophobicContact CD1-CG 4.11Å; L137-F146 HydrophobicContact CD1-CB 4.12Å; L137-F146 HydrophobicContact CD1-CD1 3.97Å; L137-F146 HydrophobicContact CD1-CD2 3.77Å; L137-F146 HydrophobicContact CD1-CE1 4.28Å; L137-F146 HydrophobicContact CD1-CE2 4.08Å; L137-F146 HydrophobicContact CD1-CG 3.69Å; L137-F146 HydrophobicContact CD1-CZ 4.31Å; L137-F146 HydrophobicContact CD2-CE2 4.02Å; L137-F146 HydrophobicContact CD2-CZ 4.07Å; L137-L226 HydrophobicContact CD1-CD1 4.16Å
138	Q	87.1	Confident	90.3	Very high	87 Å²	87	26.4 Å²	26.4	41%	0.407	14%	0.138	S	C	.	.			trans	-79.8	-37.4	-169.6	-60.4	-54.5	-79.4	0	0	112.7	E87 G135 Q136 V361	E87-Q138 PolarHBondContact OE1-N 2.63Å; E87-Q138 PolarHBondContact OE2-N 3.29Å; G135-Q138 PolarHBondContact O-NE2 2.91Å; Q136-Q138 PolarHBondContact O-N 2.74Å; Q136-Q138 PolarHBondContact O-NE2 2.76Å; Q138-V361 HydrophobicContact CB-CG1 3.78Å; Q138-V361 HydrophobicContact CG-CG1 4.25Å
139	E	87.5	Confident	90.4	Very high	32 Å²	32	25.5 Å²	25.5	15%	0.15	13%	0.134	C	C	.	.	S	Bend	trans	-92.1	138.4	-178.6	-61.4	-61.5	138.1	0	0	111.4	I86 E87 Y141 T142 R143 V361 R368	I86-E139 HydrophobicContact CD1-CG 4.32Å; E87-E139 HydrophobicContact CG-CG 4.47Å; E87-E139 PolarHBondContact OE2-N 2.96Å; E139-Y141 VanDerWaalsContact C-N 3.29Å; E139-Y141 PolarHBondContact O-N 3.21Å; E139-T142 WeakPolarHBondContact O-CB 3.44Å; E139-T142 PolarHBondContact O-N 3.49Å; E139-T142 VanDerWaalsContact O-N 3.16Å; E139-R143 PolarHBondContact O-N 3.27Å; E139-V361 HydrophobicContact CG-CG1 4.5Å; E139-R368 IonicContact OE1-CZ 2.66Å; E139-R368 IonicContact OE1-NE 3.18Å; E139-R368 PolarHBondContact OE1-NE 3.43Å; E139-R368 IonicContact OE1-NH2 3.22Å; E139-R368 PolarHBondContact OE1-NH2 2.95Å; E139-R368 IonicContact OE2-NE 2.67Å; E139-R368 PolarHBondContact OE2-NE 2.71Å
140	E	87.4	Confident	90.4	Very high	47 Å²	47	25.4 Å²	25.4	22%	0.22	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-35.9	178.5	-169.8	-178.6	120.1	0	0	112.4	T142 R143 Y144 A219 Y371	E140-T142 VanDerWaalsContact C-N 3.27Å; E140-T142 PolarHBondContact O-N 3.49Å; E140-R143 WeakPolarHBondContact O-CB 3.25Å; E140-R143 PolarHBondContact O-N 2.76Å; E140-R143 VanDerWaalsContact O-N 3.08Å; E140-Y144 PolarHBondContact O-N 3.17Å; E140-A219 HydrophobicContact CG-CB 4.09Å; E140-A219 VanDerWaalsContact OE1-CB 3.31Å; E140-A219 WeakPolarHBondContact OE1-CB 3.46Å; E140-A219 WeakPolarHBondContact OE2-CB 3.45Å; E140-Y371 HydrophobicContact CB-CE1 3.89Å; E140-Y371 HydrophobicContact CG-CE1 3.85Å; E140-Y371 WeakPolarHBondContact OE1-CE1 3.49Å; E140-Y371 VanDerWaalsContact OE1-CZ 3.28Å; E140-Y371 PolarHBondContact OE1-OH 2.85Å
141	Y	90	Very high	90.5	Very high	62 Å²	62	26.4 Å²	26.4	24%	0.243	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-35.3	175.2	-175.1	-123.5	0	0	0	112.2	G83 L85 E139 Y144 L145 Y371	G83-Y141 VanDerWaalsContact O-CE1 3.23Å; G83-Y141 WeakPolarHBondContact O-CE1 3.34Å; L85-Y141 HydrophobicContact CD2-CD1 4.42Å; L85-Y141 HydrophobicContact CD2-CE1 4.24Å; L85-Y141 HydrophobicContact CG-CE1 4.4Å; E139-Y141 VanDerWaalsContact C-N 3.29Å; E139-Y141 PolarHBondContact O-N 3.21Å; Y141-Y144 HydrophobicContact CD2-CD1 4.01Å; Y141-Y144 HydrophobicContact CE2-CD1 4.02Å; Y141-Y144 HydrophobicContact CE2-CE1 4.42Å; Y141-Y144 PolarHBondContact O-N 2.95Å; Y141-L145 HydrophobicContact CD1-CD1 4.01Å; Y141-L145 HydrophobicContact CD2-CG 4.49Å; Y141-L145 HydrophobicContact CE1-CD1 3.55Å; Y141-L145 HydrophobicContact CE1-CG 4.27Å; Y141-L145 HydrophobicContact CE2-CD1 4.29Å; Y141-L145 HydrophobicContact CE2-CD2 4.28Å; Y141-L145 HydrophobicContact CE2-CG 4.12Å; Y141-L145 WeakPolarHBondContact O-CG 3.3Å; Y141-L145 PolarHBondContact O-N 3.48Å; Y141-Y371 AromaticContact CD2-CD2 3.43Å; Y141-Y371 HydrophobicContact CD2-CD2 3.43Å; Y141-Y371 VanDerWaalsContact CD2-CD2 3.43Å; Y141-Y371 HydrophobicContact CD2-CE2 4.06Å; Y141-Y371 AromaticContact CD2-CG 3.88Å; Y141-Y371 HydrophobicContact CD2-CG 3.88Å; Y141-Y371 HydrophobicContact CE2-CD2 4.25Å; Y141-Y371 HydrophobicContact CG-CD2 4.13Å; Y141-Y371 HydrophobicContact CG-CG 4.13Å
142	T	92.6	Very high	90.7	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-63.1	-44.7	172	-49.6	0	0	0	0	110.7	E87 Y90 F91 L137 E139 E140 Y144 L145 F146	E87-T142 HydrophobicContact CB-CG2 4.12Å; E87-T142 WeakPolarHBondContact OE2-CB 3.44Å; E87-T142 PolarHBondContact OE2-OG1 2.86Å; Y90-T142 HydrophobicContact CD2-CG2 4.46Å; F91-T142 HydrophobicContact CE2-CG2 4.02Å; F91-T142 HydrophobicContact CZ-CG2 4.04Å; L137-T142 HydrophobicContact CB-CG2 4.3Å; L137-T142 HydrophobicContact CD1-CG2 4.31Å; L137-T142 HydrophobicContact CD2-CG2 3.88Å; L137-T142 HydrophobicContact CG-CG2 4.39Å; E139-T142 WeakPolarHBondContact O-CB 3.44Å; E139-T142 PolarHBondContact O-N 3.49Å; E139-T142 VanDerWaalsContact O-N 3.16Å; E140-T142 VanDerWaalsContact C-N 3.27Å; E140-T142 PolarHBondContact O-N 3.49Å; T142-Y144 PolarHBondContact O-N 3.39Å; T142-L145 PolarHBondContact O-N 3.41Å; T142-F146 HydrophobicContact CG2-CD2 3.98Å; T142-F146 HydrophobicContact CG2-CE2 3.94Å; T142-F146 VanDerWaalsContact O-CD2 3.3Å; T142-F146 WeakPolarHBondContact O-CD2 3.49Å; T142-F146 PolarHBondContact O-N 3.35Å
143	R	93.2	Very high	91.1	Very high	45 Å²	45	24.7 Å²	24.7	17%	0.17	13%	0.125	C	C	.	.	H	α-helix	trans	-60.8	-42	176.7	-70	-176.2	-81.7	120	-4.4	112.2	L137 E139 E140 F146 S147 L226	L137-R143 HydrophobicContact CB-CG 3.79Å; L137-R143 HydrophobicContact CD1-CG 4.11Å; E139-R143 PolarHBondContact O-N 3.27Å; E140-R143 WeakPolarHBondContact O-CB 3.25Å; E140-R143 PolarHBondContact O-N 2.76Å; E140-R143 VanDerWaalsContact O-N 3.08Å; R143-F146 PolarHBondContact O-N 2.85Å; R143-S147 PolarHBondContact O-N 2.93Å; R143-L226 HydrophobicContact CB-CD1 4.28Å; R143-L226 HydrophobicContact CG-CD1 4.41Å
144	Y	93.1	Very high	91.4	Very high	9 Å²	9	21.6 Å²	21.6	4%	0.035	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-44.5	173.5	171.3	-117.3	0	0	0	112.9	E140 Y141 T142 F146 S147 L148 D222 Y371	E140-Y144 PolarHBondContact O-N 3.17Å; Y141-Y144 HydrophobicContact CD2-CD1 4.01Å; Y141-Y144 HydrophobicContact CE2-CD1 4.02Å; Y141-Y144 HydrophobicContact CE2-CE1 4.42Å; Y141-Y144 PolarHBondContact O-N 2.95Å; T142-Y144 PolarHBondContact O-N 3.39Å; Y144-F146 VanDerWaalsContact C-N 3.26Å; Y144-F146 PolarHBondContact O-N 2.86Å; Y144-S147 PolarHBondContact O-N 3.49Å; Y144-S147 VanDerWaalsContact O-N 3.16Å; Y144-S147 PolarHBondContact O-OG 3.32Å; Y144-L148 HydrophobicContact CD1-CD1 4.18Å; Y144-L148 HydrophobicContact CD2-CD1 4.41Å; Y144-L148 HydrophobicContact CD2-CG 4.36Å; Y144-L148 HydrophobicContact CE1-CD1 3.67Å; Y144-L148 HydrophobicContact CE2-CD1 3.95Å; Y144-L148 HydrophobicContact CE2-CD2 4.28Å; Y144-L148 HydrophobicContact CE2-CG 4.01Å; Y144-L148 WeakPolarHBondContact O-CG 3.44Å; Y144-L148 PolarHBondContact O-N 3.05Å; Y144-D222 WeakPolarHBondContact CD2-OD2 3.15Å; Y144-Y371 HydrophobicContact CD1-CE2 4.38Å
145	L	94.3	Very high	92	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-31.7	175.4	-69.9	173.5	0	0	0	112.5	L57 L85 F91 Y141 T142 L148 Q149	L57-L145 HydrophobicContact CB-CD2 3.97Å; L57-L145 HydrophobicContact CD1-CB 4.07Å; L57-L145 HydrophobicContact CD1-CD2 4.26Å; L85-L145 HydrophobicContact CD1-CD1 4.45Å; L85-L145 HydrophobicContact CD2-CD1 3.5Å; L85-L145 HydrophobicContact CG-CD1 4.28Å; F91-L145 HydrophobicContact CE1-CB 3.79Å; F91-L145 HydrophobicContact CE1-CD1 4.25Å; F91-L145 HydrophobicContact CZ-CB 3.77Å; F91-L145 HydrophobicContact CZ-CD1 3.93Å; Y141-L145 HydrophobicContact CD1-CD1 4.01Å; Y141-L145 HydrophobicContact CD2-CG 4.49Å; Y141-L145 HydrophobicContact CE1-CD1 3.55Å; Y141-L145 HydrophobicContact CE1-CG 4.27Å; Y141-L145 HydrophobicContact CE2-CD1 4.29Å; Y141-L145 HydrophobicContact CE2-CD2 4.28Å; Y141-L145 HydrophobicContact CE2-CG 4.12Å; Y141-L145 WeakPolarHBondContact O-CG 3.3Å; Y141-L145 PolarHBondContact O-N 3.48Å; T142-L145 PolarHBondContact O-N 3.41Å; L145-L148 HydrophobicContact CD2-CD1 4.31Å; L145-Q149 PolarHBondContact O-N 2.78Å
146	F	96	Very high	92.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-70.3	-37.7	171.3	-92.5	-108.1	0	0	0	112.6	Y90 F91 V127 F130 P131 L137 T142 R143 Y144 Q149 M150 L226	Y90-F146 HydrophobicContact CD1-CZ 4.21Å; Y90-F146 HydrophobicContact CG-CE2 4.28Å; Y90-F146 HydrophobicContact CG-CZ 4.14Å; F91-F146 HydrophobicContact CE1-CD2 4.21Å; F91-F146 HydrophobicContact CE1-CE2 4.2Å; F91-F146 HydrophobicContact CE2-CE2 4.41Å; F91-F146 AromaticContact CZ-CD2 3.92Å; F91-F146 HydrophobicContact CZ-CD2 3.92Å; F91-F146 AromaticContact CZ-CE2 3.86Å; F91-F146 HydrophobicContact CZ-CE2 3.86Å; V127-F146 HydrophobicContact CB-CZ 4.45Å; V127-F146 HydrophobicContact CG1-CD1 4.19Å; V127-F146 HydrophobicContact CG1-CE1 3.48Å; V127-F146 VanDerWaalsContact CG1-CE1 3.48Å; V127-F146 HydrophobicContact CG1-CE2 4.04Å; V127-F146 HydrophobicContact CG1-CZ 3.41Å; V127-F146 VanDerWaalsContact CG1-CZ 3.41Å; V127-F146 HydrophobicContact CG2-CD1 4.24Å; V127-F146 HydrophobicContact CG2-CD2 3.94Å; V127-F146 HydrophobicContact CG2-CE1 4.26Å; V127-F146 HydrophobicContact CG2-CE2 3.98Å; V127-F146 HydrophobicContact CG2-CG 4.1Å; V127-F146 HydrophobicContact CG2-CZ 4.15Å; F130-F146 HydrophobicContact CD1-CE1 4.17Å; P131-F146 HydrophobicContact CG-CE1 4.43Å; L137-F146 HydrophobicContact CD1-CB 4.12Å; L137-F146 HydrophobicContact CD1-CD1 3.97Å; L137-F146 HydrophobicContact CD1-CD2 3.77Å; L137-F146 HydrophobicContact CD1-CE1 4.28Å; L137-F146 HydrophobicContact CD1-CE2 4.08Å; L137-F146 HydrophobicContact CD1-CG 3.69Å; L137-F146 HydrophobicContact CD1-CZ 4.31Å; L137-F146 HydrophobicContact CD2-CE2 4.02Å; L137-F146 HydrophobicContact CD2-CZ 4.07Å; T142-F146 HydrophobicContact CG2-CD2 3.98Å; T142-F146 HydrophobicContact CG2-CE2 3.94Å; T142-F146 VanDerWaalsContact O-CD2 3.3Å; T142-F146 WeakPolarHBondContact O-CD2 3.49Å; T142-F146 PolarHBondContact O-N 3.35Å; R143-F146 PolarHBondContact O-N 2.85Å; Y144-F146 VanDerWaalsContact C-N 3.26Å; Y144-F146 PolarHBondContact O-N 2.86Å; F146-Q149 WeakPolarHBondContact O-CB 3.27Å; F146-Q149 PolarHBondContact O-N 2.96Å; F146-M150 WeakPolarHBondContact O-CG 3.09Å; F146-M150 PolarHBondContact O-N 3.25Å; F146-L226 HydrophobicContact CB-CD1 3.8Å; F146-L226 HydrophobicContact CB-CD2 3.81Å; F146-L226 HydrophobicContact CB-CG 4.45Å
147	S	95.7	Very high	92.6	Very high	5 Å²	5	26.8 Å²	26.8	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-67.1	-38.1	175.2	76.6	0	0	0	0	111.3	R143 Y144 Q149 M150 K151 D222	R143-S147 PolarHBondContact O-N 2.93Å; Y144-S147 PolarHBondContact O-N 3.49Å; Y144-S147 VanDerWaalsContact O-N 3.16Å; Y144-S147 PolarHBondContact O-OG 3.32Å; S147-Q149 VanDerWaalsContact C-N 3.33Å; S147-Q149 PolarHBondContact O-N 3.09Å; S147-M150 CarbonylContact O-C 3.58Å; S147-M150 WeakPolarHBondContact O-CA 3.3Å; S147-M150 WeakPolarHBondContact O-CB 3.48Å; S147-M150 PolarHBondContact O-N 3.21Å; S147-K151 PolarHBondContact O-N 3Å; S147-D222 WeakPolarHBondContact CB-OD1 3.35Å; S147-D222 VanDerWaalsContact OG-CG 3.26Å; S147-D222 PolarHBondContact OG-OD1 3.44Å
148	L	94.9	Very high	92.6	Very high	6 Å²	6	29 Å²	29	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-61.8	-36.2	170	-71.3	174.7	0	0	0	112.9	L57 D58 Y144 L145 M150 K151 R152	L57-L148 HydrophobicContact CB-CB 4.12Å; L57-L148 HydrophobicContact CB-CD1 4.39Å; D58-L148 HydrophobicContact CB-CD1 3.94Å; Y144-L148 HydrophobicContact CD1-CD1 4.18Å; Y144-L148 HydrophobicContact CD2-CD1 4.41Å; Y144-L148 HydrophobicContact CD2-CG 4.36Å; Y144-L148 HydrophobicContact CE1-CD1 3.67Å; Y144-L148 HydrophobicContact CE2-CD1 3.95Å; Y144-L148 HydrophobicContact CE2-CD2 4.28Å; Y144-L148 HydrophobicContact CE2-CG 4.01Å; Y144-L148 WeakPolarHBondContact O-CG 3.44Å; Y144-L148 PolarHBondContact O-N 3.05Å; L145-L148 HydrophobicContact CD2-CD1 4.31Å; L148-M150 VanDerWaalsContact C-N 3.32Å; L148-M150 PolarHBondContact O-N 3.49Å; L148-K151 HydrophobicContact CD2-CD 4.01Å; L148-K151 WeakPolarHBondContact O-CB 3.29Å; L148-K151 PolarHBondContact O-N 2.79Å; L148-R152 PolarHBondContact O-N 3.25Å
149	Q	96.4	Very high	92.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-36.9	170.1	-177	70.6	72.5	0	0	111.9	L57 V127 F130 L145 F146 S147 R152 D153	L57-Q149 HydrophobicContact CD2-CB 4.05Å; V127-Q149 HydrophobicContact CB-CB 4.39Å; V127-Q149 HydrophobicContact CB-CG 3.92Å; V127-Q149 HydrophobicContact CG2-CB 3.7Å; V127-Q149 HydrophobicContact CG2-CG 3.81Å; F130-Q149 HydrophobicContact CE1-CG 4.05Å; F130-Q149 HydrophobicContact CZ-CG 3.99Å; L145-Q149 PolarHBondContact O-N 2.78Å; F146-Q149 WeakPolarHBondContact O-CB 3.27Å; F146-Q149 PolarHBondContact O-N 2.96Å; S147-Q149 VanDerWaalsContact C-N 3.33Å; S147-Q149 PolarHBondContact O-N 3.09Å; Q149-R152 PolarHBondContact O-N 3.05Å; Q149-D153 PolarHBondContact NE2-OD1 2.79Å; Q149-D153 WeakPolarHBondContact O-CB 3.4Å; Q149-D153 PolarHBondContact O-N 3.49Å
150	M	95.8	Very high	92.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.1	-40.2	175	-61.9	-58.9	89.7	0	0	111.7	F130 F146 S147 L148 R152 D153 L154 L159 I225 L226 A229 Y235	F130-M150 HydrophobicContact CD1-CE 4.43Å; F130-M150 HydrophobicContact CE1-CE 3.7Å; F146-M150 WeakPolarHBondContact O-CG 3.09Å; F146-M150 PolarHBondContact O-N 3.25Å; S147-M150 CarbonylContact O-C 3.58Å; S147-M150 WeakPolarHBondContact O-CA 3.3Å; S147-M150 WeakPolarHBondContact O-CB 3.48Å; S147-M150 PolarHBondContact O-N 3.21Å; L148-M150 VanDerWaalsContact C-N 3.32Å; L148-M150 PolarHBondContact O-N 3.49Å; M150-R152 PolarHBondContact O-N 3.19Å; M150-D153 PolarHBondContact O-N 3.44Å; M150-L154 WeakPolarHBondContact O-CB 3.4Å; M150-L154 VanDerWaalsContact O-CG 3.29Å; M150-L154 WeakPolarHBondContact O-CG 3.37Å; M150-L154 PolarHBondContact O-N 3.1Å; M150-L159 HydrophobicContact SD-CD2 3.93Å; M150-I225 HydrophobicContact CB-CG2 3.83Å; M150-I225 HydrophobicContact CG-CG2 4.17Å; M150-L226 HydrophobicContact CG-CD2 3.85Å; M150-A229 HydrophobicContact CG-CB 3.88Å; M150-A229 HydrophobicContact SD-CB 3.61Å; M150-Y235 HydrophobicContact CE-CD2 4.43Å; M150-Y235 HydrophobicContact CE-CE2 4.39Å; M150-Y235 HydrophobicContact SD-CD2 3.77Å; M150-Y235 HydrophobicContact SD-CE2 3.93Å
151	K	94.9	Very high	93.1	Very high	29 Å²	29	26.3 Å²	26.3	13%	0.126	13%	0.134	C	C	.	.	H	α-helix	trans	-53.5	-51.6	169.7	-178.9	-177.1	-179	-172.8	0	110.9	S147 L148 L154 M155 I173 E177 L195	S147-K151 PolarHBondContact O-N 3Å; L148-K151 HydrophobicContact CD2-CD 4.01Å; L148-K151 WeakPolarHBondContact O-CB 3.29Å; L148-K151 PolarHBondContact O-N 2.79Å; K151-L154 PolarHBondContact O-N 3.33Å; K151-M155 HydrophobicContact CG-SD 4.05Å; K151-M155 VanDerWaalsContact O-CG 3.27Å; K151-M155 WeakPolarHBondContact O-CG 3.44Å; K151-M155 PolarHBondContact O-N 3.16Å; K151-I173 HydrophobicContact CB-CD1 3.86Å; K151-I173 HydrophobicContact CD-CG2 4.02Å; K151-I173 HydrophobicContact CG-CD1 4.12Å; K151-I173 HydrophobicContact CG-CG2 4.37Å; K151-E177 IonicContact NZ-OE1 2.78Å; K151-E177 PolarHBondContact NZ-OE1 2.94Å; K151-L195 HydrophobicContact CD-CD2 4.48Å; K151-L195 HydrophobicContact CG-CD2 4.37Å
152	R	94.3	Very high	93.3	Very high	15 Å²	15	27.3 Å²	27.3	6%	0.057	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-43.2	176.1	-176.5	178	-72.4	164.7	-2.7	112.8	G56 D59 L125 L148 Q149 M150 L154 M155 E156	G56-R152 PolarHBondContact O-NH2 2.79Å; D59-R152 IonicContact OD1-CZ 2.97Å; D59-R152 IonicContact OD1-NE 2.78Å; D59-R152 IonicContact OD1-NH2 2.68Å; D59-R152 PolarHBondContact OD1-NH2 3.04Å; L125-R152 PolarHBondContact O-NH1 3.48Å; L148-R152 PolarHBondContact O-N 3.25Å; Q149-R152 PolarHBondContact O-N 3.05Å; M150-R152 PolarHBondContact O-N 3.19Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 2.89Å; R152-M155 PolarHBondContact O-N 2.87Å; R152-E156 HydrophobicContact CG-CG 4.42Å; R152-E156 WeakPolarHBondContact CG-OE1 3.26Å; R152-E156 WeakPolarHBondContact O-CB 3.36Å; R152-E156 WeakPolarHBondContact O-CG 3.39Å; R152-E156 PolarHBondContact O-N 3.24Å
153	D	94.4	Very high	93.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-69.1	-29.5	179.6	-80.6	22.3	0	0	0	112.6	Q149 M150 G157 R158 L159 R238	Q149-D153 PolarHBondContact NE2-OD1 2.79Å; Q149-D153 WeakPolarHBondContact O-CB 3.4Å; Q149-D153 PolarHBondContact O-N 3.49Å; M150-D153 PolarHBondContact O-N 3.44Å; D153-G157 PolarHBondContact O-N 2.93Å; D153-R158 HydrophobicContact CB-CB 4.19Å; D153-R158 WeakPolarHBondContact O-CA 3.25Å; D153-R158 PolarHBondContact O-N 3.35Å; D153-R158 IonicContact OD1-CZ 3.71Å; D153-R158 IonicContact OD1-NE 3.21Å; D153-R158 IonicContact OD1-NH1 3.93Å; D153-R158 PolarHBondContact OD1-NH1 2.96Å; D153-R158 IonicContact OD1-NH2 2.63Å; D153-R158 IonicContact OD2-NH1 2.83Å; D153-L159 HydrophobicContact CB-CB 3.98Å; D153-L159 PolarHBondContact O-N 3.32Å; D153-R238 VanDerWaalsContact CG-NH2 3.35Å; D153-R238 IonicContact OD1-CZ 2.7Å; D153-R238 IonicContact OD1-NH1 3.28Å; D153-R238 IonicContact OD1-NH2 2.77Å; D153-R238 PolarHBondContact OD1-NH2 2.88Å; D153-R238 VanDerWaalsContact OD1-NH2 3.12Å; D153-R238 IonicContact OD2-CZ 3.11Å; D153-R238 IonicContact OD2-NH1 3.83Å; D153-R238 PolarHBondContact OD2-NH1 2.92Å; D153-R238 IonicContact OD2-NH2 3.45Å; D153-R238 PolarHBondContact OD2-NH2 3.4Å
154	L	93.7	Very high	93.5	Very high	6 Å²	6	33 Å²	33	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-70.2	-48.8	170.4	-74.1	165.1	0	0	0	111.5	M150 K151 R152 E156 G157 L159 L169 I173 L196	M150-L154 WeakPolarHBondContact O-CB 3.4Å; M150-L154 VanDerWaalsContact O-CG 3.29Å; M150-L154 WeakPolarHBondContact O-CG 3.37Å; M150-L154 PolarHBondContact O-N 3.1Å; K151-L154 PolarHBondContact O-N 3.33Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 2.89Å; L154-E156 PolarHBondContact O-N 3.26Å; L154-G157 PolarHBondContact O-N 2.97Å; L154-L159 HydrophobicContact CD2-CB 4.18Å; L154-L159 HydrophobicContact CD2-CD2 4.08Å; L154-L159 HydrophobicContact CD2-CG 4.27Å; L154-L159 HydrophobicContact CG-CB 4.37Å; L154-L159 HydrophobicContact CG-CD2 4.09Å; L154-L169 HydrophobicContact CD1-CB 3.83Å; L154-L169 HydrophobicContact CD1-CD1 4.13Å; L154-L169 HydrophobicContact CD2-CD1 4.07Å; L154-I173 HydrophobicContact CD1-CD1 4.27Å; L154-L196 HydrophobicContact CB-CD2 4.2Å; L154-L196 HydrophobicContact CD2-CD2 4.26Å
155	M	92.4	Very high	93.6	Very high	79 Å²	79	34.3 Å²	34.3	39%	0.389	19%	0.186	S	C	.	.	H	α-helix	trans	-60.6	-42.3	178.8	-71.1	171.8	61.7	0	0	112.5	K151 R152 G157 K194 L195	K151-M155 HydrophobicContact CG-SD 4.05Å; K151-M155 VanDerWaalsContact O-CG 3.27Å; K151-M155 WeakPolarHBondContact O-CG 3.44Å; K151-M155 PolarHBondContact O-N 3.16Å; R152-M155 PolarHBondContact O-N 2.87Å; M155-G157 PolarHBondContact O-N 3.34Å; M155-K194 WeakPolarHBondContact CE-O 3.38Å; M155-K194 WeakPolarHBondContact CG-O 3.21Å; M155-L195 WeakPolarHBondContact CG-O 3.39Å
156	E	90.8	Very high	93.7	Very high	85 Å²	85	34.1 Å²	34.1	40%	0.397	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0.9	175.6	-68.7	-174.9	-145.8	0	0	113.6	R124 R152 L154 R158	R124-E156 IonicContact CZ-OE1 2.67Å; R124-E156 IonicContact NH1-OE1 2.66Å; R124-E156 PolarHBondContact NH1-OE1 3.48Å; R124-E156 IonicContact NH1-OE2 3.92Å; R124-E156 IonicContact NH2-OE1 3.68Å; R152-E156 HydrophobicContact CG-CG 4.42Å; R152-E156 WeakPolarHBondContact CG-OE1 3.26Å; R152-E156 WeakPolarHBondContact O-CB 3.36Å; R152-E156 WeakPolarHBondContact O-CG 3.39Å; R152-E156 PolarHBondContact O-N 3.24Å; L154-E156 PolarHBondContact O-N 3.26Å; E156-R158 HydrophobicContact CB-CG 4.21Å; E156-R158 PolarHBondContact O-N 3.05Å; E156-R158 IonicContact OE1-CZ 3.48Å; E156-R158 IonicContact OE1-NH2 3.89Å; E156-R158 PolarHBondContact OE1-NH2 3.33Å; E156-R158 IonicContact OE2-CZ 3.23Å; E156-R158 IonicContact OE2-NE 2.91Å; E156-R158 PolarHBondContact OE2-NE 3.34Å; E156-R158 IonicContact OE2-NH2 2.71Å; E156-R158 PolarHBondContact OE2-NH2 3.39Å
157	G	89.4	Confident	93.7	Very high	43 Å²	43	34.1 Å²	34.1	44%	0.443	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	15.8	-179.6	0	0	0	0	0	115.1	D153 L154 M155	D153-G157 PolarHBondContact O-N 2.93Å; L154-G157 PolarHBondContact O-N 2.97Å; M155-G157 PolarHBondContact O-N 3.34Å
158	R	90.2	Very high	93.8	Very high	50 Å²	50	36.2 Å²	36.2	19%	0.189	20%	0.195	C	C	.	.			trans	-76.9	-36.9	178.1	-66.9	-165.1	-98	131.9	-4.8	112.3	D153 E156 I160	D153-R158 HydrophobicContact CB-CB 4.19Å; D153-R158 WeakPolarHBondContact O-CA 3.25Å; D153-R158 PolarHBondContact O-N 3.35Å; D153-R158 IonicContact OD1-CZ 3.71Å; D153-R158 IonicContact OD1-NE 3.21Å; D153-R158 IonicContact OD1-NH1 3.93Å; D153-R158 PolarHBondContact OD1-NH1 2.96Å; D153-R158 IonicContact OD1-NH2 2.63Å; D153-R158 IonicContact OD2-NH1 2.83Å; E156-R158 HydrophobicContact CB-CG 4.21Å; E156-R158 PolarHBondContact O-N 3.05Å; E156-R158 IonicContact OE1-CZ 3.48Å; E156-R158 IonicContact OE1-NH2 3.89Å; E156-R158 PolarHBondContact OE1-NH2 3.33Å; E156-R158 IonicContact OE2-CZ 3.23Å; E156-R158 IonicContact OE2-NE 2.91Å; E156-R158 PolarHBondContact OE2-NE 3.34Å; E156-R158 IonicContact OE2-NH2 2.71Å; E156-R158 PolarHBondContact OE2-NH2 3.39Å; R158-I160 PolarHBondContact O-N 3.46Å
159	L	92.6	Very high	93.9	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	19%	0.194	C	C	.	.	S	Bend	trans	-90.4	84	176.2	-172.7	61.2	0	0	0	110.2	M150 D153 L154 C161 L169 A229 L232 M234	M150-L159 HydrophobicContact SD-CD2 3.93Å; D153-L159 HydrophobicContact CB-CB 3.98Å; D153-L159 PolarHBondContact O-N 3.32Å; L154-L159 HydrophobicContact CD2-CB 4.18Å; L154-L159 HydrophobicContact CD2-CD2 4.08Å; L154-L159 HydrophobicContact CD2-CG 4.27Å; L154-L159 HydrophobicContact CG-CB 4.37Å; L154-L159 HydrophobicContact CG-CD2 4.09Å; L159-C161 PolarHBondContact O-N 2.93Å; L159-L169 HydrophobicContact CD2-CD1 4.35Å; L159-A229 HydrophobicContact CD2-CB 4.1Å; L159-L232 HydrophobicContact CD1-CB 4.01Å; L159-L232 HydrophobicContact CD1-CD1 3.76Å; L159-L232 HydrophobicContact CD2-CD1 4.02Å; L159-L232 HydrophobicContact CG-CD1 3.73Å; L159-M234 HydrophobicContact CD1-CB 4.23Å
160	I	89.4	Confident	93.9	Very high	77 Å²	77	35.9 Å²	35.9	40%	0.395	19%	0.194	S	C	.	.			trans	-70.5	126.9	-178.2	-53.1	175.6	0	0	0	110.1	R158 M234 N265	R158-I160 PolarHBondContact O-N 3.46Å; I160-M234 HydrophobicContact CB-CG 3.89Å; I160-M234 HydrophobicContact CD1-CE 4.42Å; I160-M234 HydrophobicContact CD1-CG 4.23Å; I160-M234 HydrophobicContact CG1-CG 4.06Å; I160-N265 HydrophobicContact CD1-CB 4.05Å; I160-N265 VanDerWaalsContact CD1-CG 3.46Å; I160-N265 VanDerWaalsContact CD1-ND2 3.27Å; I160-N265 WeakPolarHBondContact CD1-ND2 3.39Å
161	C	91.8	Very high	94	Very high	29 Å²	29	35.9 Å²	35.9	20%	0.196	19%	0.194	C	C	.	.			trans	-150.9	171.9	179.5	68.6	0	0	0	0	111.2	L159 T165 G166 L232	L159-C161 PolarHBondContact O-N 2.93Å; C161-T165 HydrophobicContact CB-CG2 4.24Å; C161-G166 VanDerWaalsContact SG-CA 3.57Å; C161-G166 PolarHBondContact SG-N 3.33Å; C161-G166 VanDerWaalsContact SG-N 3.44Å; C161-L232 HydrophobicContact CB-CD1 3.72Å; C161-L232 HydrophobicContact CB-CD2 3.78Å; C161-L232 HydrophobicContact CB-CG 4.43Å
162	T	93.5	Very high	94.1	Very high	82 Å²	82	35 Å²	35	50%	0.503	19%	0.19	S	C	.	.			trans	-69.6	157.1	172.2	76.8	0	0	0	0	111.1	N164 T165 G166	T162-N164 PolarHBondContact O-N 3.09Å; T162-N164 PolarHBondContact OG1-N 3.07Å; T162-T165 PolarHBondContact O-N 3.25Å; T162-T165 PolarHBondContact OG1-N 2.83Å; T162-T165 VanDerWaalsContact OG1-N 3.09Å; T162-T165 PolarHBondContact OG1-OG1 3.1Å; T162-G166 PolarHBondContact O-N 2.78Å
163	E	93.8	Very high	94.2	Very high	91 Å²	91	34.5 Å²	34.5	43%	0.425	19%	0.188	S	C	.	.	H	α-helix	trans	-55.3	-37.4	174.8	-69.4	-172.9	155.5	0	0	111.9	A167 Y198 K201 V202	E163-A167 WeakPolarHBondContact O-CB 3.34Å; E163-A167 PolarHBondContact O-N 2.86Å; E163-Y198 HydrophobicContact CB-CE2 4.13Å; E163-Y198 HydrophobicContact CG-CD2 4.15Å; E163-Y198 HydrophobicContact CG-CE2 3.88Å; E163-K201 IonicContact OE1-NZ 3.88Å; E163-V202 HydrophobicContact CB-CG1 3.96Å; E163-V202 HydrophobicContact CG-CG1 4.48Å
164	N	95.6	Very high	94.2	Very high	78 Å²	78	34.4 Å²	34.4	42%	0.417	19%	0.188	S	C	.	.	H	α-helix	trans	-65.8	-42.3	175.5	-68.4	-22.5	0	0	0	112.6	T162 L168 R205	T162-N164 PolarHBondContact O-N 3.09Å; T162-N164 PolarHBondContact OG1-N 3.07Å; N164-L168 PolarHBondContact O-N 3.38Å; N164-L168 VanDerWaalsContact O-N 3.1Å; N164-R205 WeakPolarHBondContact OD1-CD 3.25Å; N164-R205 PolarHBondContact OD1-NE 3.31Å; N164-R205 VanDerWaalsContact OD1-NE 3.09Å; N164-R205 PolarHBondContact OD1-NH1 3.49Å
165	T	95.8	Very high	94.3	Very high	36 Å²	36	34.2 Å²	34.2	22%	0.221	19%	0.187	C	C	.	.	H	α-helix	trans	-71.2	-37.7	178.3	-44	0	0	0	0	111.4	C161 T162 L168 L169 I228 L232	C161-T165 HydrophobicContact CB-CG2 4.24Å; T162-T165 PolarHBondContact O-N 3.25Å; T162-T165 PolarHBondContact OG1-N 2.83Å; T162-T165 VanDerWaalsContact OG1-N 3.09Å; T162-T165 PolarHBondContact OG1-OG1 3.1Å; T165-L168 PolarHBondContact O-N 2.95Å; T165-L169 HydrophobicContact CG2-CD1 4.32Å; T165-L169 WeakPolarHBondContact O-CG 3.46Å; T165-L169 PolarHBondContact O-N 3.4Å; T165-I228 HydrophobicContact CG2-CG2 3.92Å; T165-L232 HydrophobicContact CG2-CD2 4.23Å
166	G	96.1	Very high	94.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-44.3	174	0	0	0	0	0	111.3	C161 T162 L168 L169 A170	C161-G166 VanDerWaalsContact SG-CA 3.57Å; C161-G166 PolarHBondContact SG-N 3.33Å; C161-G166 VanDerWaalsContact SG-N 3.44Å; T162-G166 PolarHBondContact O-N 2.78Å; G166-L168 VanDerWaalsContact C-N 3.35Å; G166-L168 PolarHBondContact O-N 3Å; G166-L169 PolarHBondContact O-N 2.86Å; G166-A170 VanDerWaalsContact O-CB 3.29Å; G166-A170 WeakPolarHBondContact O-CB 3.25Å; G166-A170 PolarHBondContact O-N 3.36Å
167	A	96.8	Very high	94.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-37.7	175.5	0	0	0	0	0	113.1	E163 S171 V202 R205 I206 F209	E163-A167 WeakPolarHBondContact O-CB 3.34Å; E163-A167 PolarHBondContact O-N 2.86Å; A167-S171 PolarHBondContact O-N 2.81Å; A167-V202 HydrophobicContact CB-CB 4.24Å; A167-R205 HydrophobicContact CB-CB 4.33Å; A167-R205 HydrophobicContact CB-CG 4.34Å; A167-I206 HydrophobicContact CB-CG1 3.96Å; A167-F209 HydrophobicContact CB-CD2 4.17Å; A167-F209 HydrophobicContact CB-CE2 4.1Å
168	L	97.6	Very high	94.4	Very high	48 Å²	48	26.4 Å²	26.4	25%	0.251	14%	0.139	S	C	.	.	H	α-helix	trans	-70.6	-41.3	176.1	-177.7	64	0	0	0	112.5	N164 T165 G166 A170 S171 H172 F209 I228	N164-L168 PolarHBondContact O-N 3.38Å; N164-L168 VanDerWaalsContact O-N 3.1Å; T165-L168 PolarHBondContact O-N 2.95Å; G166-L168 VanDerWaalsContact C-N 3.35Å; G166-L168 PolarHBondContact O-N 3Å; L168-A170 VanDerWaalsContact C-N 3.33Å; L168-S171 PolarHBondContact O-N 2.93Å; L168-S171 PolarHBondContact O-OG 3.12Å; L168-H172 PolarHBondContact O-CD2 2.97Å; L168-H172 PolarHBondContact O-N 3.44Å; L168-F209 HydrophobicContact CB-CD2 3.96Å; L168-F209 HydrophobicContact CB-CE2 3.93Å; L168-F209 HydrophobicContact CD1-CB 4.15Å; L168-F209 HydrophobicContact CD1-CD1 4.17Å; L168-F209 HydrophobicContact CD1-CD2 4.19Å; L168-F209 HydrophobicContact CD1-CG 3.95Å; L168-I228 HydrophobicContact CD2-CD1 3.85Å; L168-I228 HydrophobicContact CG-CD1 3.93Å
169	L	97.4	Very high	94.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.4	-43.1	172.9	-76.4	166.4	0	0	0	110.9	L154 L159 T165 G166 S171 H172 I173 I225 I228 L232	L154-L169 HydrophobicContact CD1-CB 3.83Å; L154-L169 HydrophobicContact CD1-CD1 4.13Å; L154-L169 HydrophobicContact CD2-CD1 4.07Å; L159-L169 HydrophobicContact CD2-CD1 4.35Å; T165-L169 HydrophobicContact CG2-CD1 4.32Å; T165-L169 WeakPolarHBondContact O-CG 3.46Å; T165-L169 PolarHBondContact O-N 3.4Å; G166-L169 PolarHBondContact O-N 2.86Å; L169-S171 PolarHBondContact O-N 3.09Å; L169-H172 PolarHBondContact O-N 2.98Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 3.36Å; L169-I225 HydrophobicContact CD2-CG2 4.23Å; L169-I225 WeakPolarHBondContact CD2-O 3.27Å; L169-I228 HydrophobicContact CD1-CG2 4.24Å; L169-I228 HydrophobicContact CD2-CB 3.72Å; L169-I228 HydrophobicContact CD2-CD1 4.49Å; L169-I228 HydrophobicContact CD2-CG2 3.63Å; L169-I228 HydrophobicContact CG-CB 4.42Å; L169-I228 HydrophobicContact CG-CG2 3.79Å; L169-L232 HydrophobicContact CD1-CD1 4.06Å
170	A	96.8	Very high	94.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-38.6	175.8	0	0	0	0	0	112.5	G166 L168 H172 I173 V174 L195 L196 I206	G166-A170 VanDerWaalsContact O-CB 3.29Å; G166-A170 WeakPolarHBondContact O-CB 3.25Å; G166-A170 PolarHBondContact O-N 3.36Å; L168-A170 VanDerWaalsContact C-N 3.33Å; A170-H172 PolarHBondContact O-N 3.04Å; A170-I173 CarbonylContact O-C 3.43Å; A170-I173 WeakPolarHBondContact O-CA 3.49Å; A170-I173 WeakPolarHBondContact O-CB 3.47Å; A170-I173 PolarHBondContact O-N 2.89Å; A170-V174 WeakPolarHBondContact O-CG2 3.23Å; A170-V174 PolarHBondContact O-N 3.33Å; A170-L195 HydrophobicContact CB-CB 4.41Å; A170-L195 HydrophobicContact CB-CD1 4.02Å; A170-L196 HydrophobicContact CB-CD1 4.05Å; A170-L196 HydrophobicContact CB-CG 4.29Å; A170-I206 HydrophobicContact CB-CD1 3.82Å; A170-I206 HydrophobicContact CB-CG1 4Å; A170-I206 HydrophobicContact CB-CG2 4.23Å
171	S	97	Very high	94.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.3	-33.5	-179.5	67.2	0	0	0	0	113.7	A167 L168 L169 I173 V174 Q175 I206 F209 H213	A167-S171 PolarHBondContact O-N 2.81Å; L168-S171 PolarHBondContact O-N 2.93Å; L168-S171 PolarHBondContact O-OG 3.12Å; L169-S171 PolarHBondContact O-N 3.09Å; S171-I173 VanDerWaalsContact C-N 3.33Å; S171-V174 PolarHBondContact O-N 2.96Å; S171-Q175 PolarHBondContact O-N 2.97Å; S171-I206 VanDerWaalsContact CB-O 3.25Å; S171-I206 WeakPolarHBondContact CB-O 3.3Å; S171-F209 VanDerWaalsContact OG-CB 3.26Å; S171-F209 WeakPolarHBondContact OG-CB 3.38Å; S171-H213 PolarHBondContact OG-NE2 3.25Å
172	H	97.4	Very high	94.6	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.046	16%	0.159	C	C	.	.	H	α-helix	trans	-70.9	-27.4	168.8	-70.7	-71	0	0	0	112.6	L168 L169 A170 S176 H213 Q216 I225	L168-H172 PolarHBondContact O-CD2 2.97Å; L168-H172 PolarHBondContact O-N 3.44Å; L169-H172 PolarHBondContact O-N 2.98Å; A170-H172 PolarHBondContact O-N 3.04Å; H172-S176 WeakPolarHBondContact O-CB 3.46Å; H172-S176 PolarHBondContact O-N 2.66Å; H172-S176 PolarHBondContact O-OG 2.94Å; H172-H213 AromaticContact CD2-CE1 3.97Å; H172-H213 AromaticContact CD2-NE2 3.67Å; H172-H213 AromaticContact CE1-CD2 3.85Å; H172-H213 AromaticContact CE1-CE1 3.12Å; H172-H213 PolarHBondContact CE1-CE1 3.08Å; H172-H213 AromaticContact CE1-CG 3.95Å; H172-H213 AromaticContact CE1-ND1 3.51Å; H172-H213 AromaticContact CE1-NE2 3.34Å; H172-H213 PolarHBondContact CE1-NE2 2.92Å; H172-H213 VanDerWaalsContact CE1-NE2 3.34Å; H172-H213 AromaticContact CG-NE2 3.67Å; H172-H213 AromaticContact ND1-CD2 3.66Å; H172-H213 AromaticContact ND1-CE1 3.72Å; H172-H213 AromaticContact ND1-NE2 3.46Å; H172-H213 PolarHBondContact ND1-NE2 3.35Å; H172-H213 AromaticContact NE2-CE1 3.29Å; H172-H213 PolarHBondContact NE2-CE1 2.92Å; H172-H213 VanDerWaalsContact NE2-CE1 3.29Å; H172-H213 AromaticContact NE2-NE2 3.47Å; H172-H213 PolarHBondContact NE2-NE2 2.99Å; H172-Q216 PolarHBondContact CE1-OE1 3.18Å; H172-Q216 VanDerWaalsContact CE1-OE1 3.31Å; H172-Q216 PolarHBondContact ND1-OE1 3.39Å; H172-I225 HydrophobicContact CB-CD1 4.05Å; H172-I225 HydrophobicContact CB-CG1 3.61Å
173	I	95.4	Very high	94.4	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-68.1	-37.7	170.5	-65.4	163.6	0	0	0	110.4	K151 L154 L169 A170 S171 S176 E177 L195 I225	K151-I173 HydrophobicContact CB-CD1 3.86Å; K151-I173 HydrophobicContact CD-CG2 4.02Å; K151-I173 HydrophobicContact CG-CD1 4.12Å; K151-I173 HydrophobicContact CG-CG2 4.37Å; L154-I173 HydrophobicContact CD1-CD1 4.27Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 3.36Å; A170-I173 CarbonylContact O-C 3.43Å; A170-I173 WeakPolarHBondContact O-CA 3.49Å; A170-I173 WeakPolarHBondContact O-CB 3.47Å; A170-I173 PolarHBondContact O-N 2.89Å; S171-I173 VanDerWaalsContact C-N 3.33Å; I173-S176 PolarHBondContact O-OG 3.17Å; I173-E177 HydrophobicContact CG2-CG 4.23Å; I173-E177 WeakPolarHBondContact O-CB 3.44Å; I173-E177 WeakPolarHBondContact O-CG 3.21Å; I173-E177 PolarHBondContact O-N 2.86Å; I173-L195 HydrophobicContact CB-CD1 4.22Å; I173-L195 HydrophobicContact CG2-CD1 3.98Å; I173-L195 HydrophobicContact CG2-CD2 3.88Å; I173-I225 HydrophobicContact CB-CD1 4.43Å; I173-I225 HydrophobicContact CG1-CD1 3.51Å; I173-I225 HydrophobicContact CG1-CG1 4.29Å
174	V	95.1	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-52.6	172.8	-173.1	0	0	0	0	110.4	A170 S171 S176 E177 I178 F189 L190 L195 I206 H210	A170-V174 WeakPolarHBondContact O-CG2 3.23Å; A170-V174 PolarHBondContact O-N 3.33Å; S171-V174 PolarHBondContact O-N 2.96Å; V174-S176 VanDerWaalsContact C-N 3.27Å; V174-S176 PolarHBondContact O-N 2.79Å; V174-E177 PolarHBondContact O-N 2.81Å; V174-E177 VanDerWaalsContact O-N 3.09Å; V174-I178 HydrophobicContact CG1-CD1 3.5Å; V174-I178 HydrophobicContact CG1-CG1 3.61Å; V174-I178 WeakPolarHBondContact O-CG1 3.45Å; V174-I178 PolarHBondContact O-N 2.74Å; V174-F189 HydrophobicContact CB-CE1 4.49Å; V174-F189 HydrophobicContact CG1-CD1 4.15Å; V174-F189 HydrophobicContact CG2-CD1 4.06Å; V174-F189 HydrophobicContact CG2-CE1 4.04Å; V174-L190 HydrophobicContact CG2-CD2 3.97Å; V174-L190 HydrophobicContact CG2-CG 4.45Å; V174-L195 HydrophobicContact CG2-CD1 4.23Å; V174-I206 HydrophobicContact CG2-CG2 4.03Å; V174-H210 WeakPolarHBondContact CG1-CE1 3.22Å
175	Q	95.5	Very high	94	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-55.7	-37.4	178.9	-173	76.6	33.9	0	0	112.7	S171 G179 D180 H210 H213 Q216 S221	S171-Q175 PolarHBondContact O-N 2.97Å; Q175-G179 WeakPolarHBondContact O-CA 3.3Å; Q175-G179 PolarHBondContact O-N 2.8Å; Q175-D180 PolarHBondContact NE2-OD1 2.83Å; Q175-H210 WeakPolarHBondContact CA-NE2 3.5Å; Q175-H210 PolarHBondContact N-NE2 2.86Å; Q175-H210 PolarHBondContact OE1-CD2 3.27Å; Q175-H210 VanDerWaalsContact OE1-CD2 3.26Å; Q175-H210 PolarHBondContact OE1-NE2 3.37Å; Q175-H210 VanDerWaalsContact OE1-NE2 3.16Å; Q175-H213 HydrophobicContact CB-CB 4.47Å; Q175-H213 HydrophobicContact CG-CB 4.07Å; Q175-H213 PolarHBondContact NE2-O 2.77Å; Q175-Q216 HydrophobicContact CG-CB 4.21Å; Q175-Q216 PolarHBondContact NE2-O 3.39Å; Q175-S221 WeakPolarHBondContact CG-OG 3.43Å
176	S	93.3	Very high	93.8	Very high	3 Å²	3	24 Å²	24	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-81.9	-11.4	-179.7	60	0	0	0	0	115.8	H172 I173 V174 R373	H172-S176 WeakPolarHBondContact O-CB 3.46Å; H172-S176 PolarHBondContact O-N 2.66Å; H172-S176 PolarHBondContact O-OG 2.94Å; I173-S176 PolarHBondContact O-OG 3.17Å; V174-S176 VanDerWaalsContact C-N 3.27Å; V174-S176 PolarHBondContact O-N 2.79Å; S176-R373 PolarHBondContact O-NH1 2.94Å
177	E	90.6	Very high	93.7	Very high	14 Å²	14	27.4 Å²	27.4	7%	0.065	16%	0.156	C	C	.	.	H	α-helix	trans	-105.3	-45.3	-179.9	-65.6	-91.7	-140	0	0	112	K151 I173 V174 F189 S376 K377	K151-E177 IonicContact NZ-OE1 2.78Å; K151-E177 PolarHBondContact NZ-OE1 2.94Å; I173-E177 HydrophobicContact CG2-CG 4.23Å; I173-E177 WeakPolarHBondContact O-CB 3.44Å; I173-E177 WeakPolarHBondContact O-CG 3.21Å; I173-E177 PolarHBondContact O-N 2.86Å; V174-E177 PolarHBondContact O-N 2.81Å; V174-E177 VanDerWaalsContact O-N 3.09Å; E177-F189 HydrophobicContact CB-CE2 3.91Å; E177-F189 HydrophobicContact CB-CZ 3.71Å; E177-F189 HydrophobicContact CG-CE2 4.48Å; E177-F189 HydrophobicContact CG-CZ 3.95Å; E177-S376 WeakPolarHBondContact O-CA 3.41Å; E177-S376 WeakPolarHBondContact O-CB 3.22Å; E177-S376 PolarHBondContact O-OG 3.33Å; E177-K377 PolarHBondContact O-N 2.95Å
178	I	91.4	Very high	93.5	Very high	27 Å²	27	32.5 Å²	32.5	14%	0.138	18%	0.18	C	C	.	.	H	α-helix	trans	-110.8	-16.2	-175.6	67.9	169.3	0	0	0	115.2	V174 A185 F189 K377 V378	V174-I178 HydrophobicContact CG1-CD1 3.5Å; V174-I178 HydrophobicContact CG1-CG1 3.61Å; V174-I178 WeakPolarHBondContact O-CG1 3.45Å; V174-I178 PolarHBondContact O-N 2.74Å; I178-A185 HydrophobicContact CD1-CB 4.21Å; I178-F189 HydrophobicContact CD1-CB 4.14Å; I178-F189 HydrophobicContact CD1-CG 4.44Å; I178-F189 HydrophobicContact CG2-CB 4.27Å; I178-F189 HydrophobicContact CG2-CD2 3.5Å; I178-F189 VanDerWaalsContact CG2-CD2 3.5Å; I178-F189 HydrophobicContact CG2-CE2 3.95Å; I178-F189 HydrophobicContact CG2-CG 3.9Å; I178-K377 HydrophobicContact CG2-CB 4.42Å; I178-V378 WeakPolarHBondContact O-CG2 3.45Å
179	G	90.3	Very high	93.3	Very high	11 Å²	11	31.1 Å²	31.1	11%	0.113	17%	0.172	C	C	.	.			trans	91.2	-161.8	-174.9	0	0	0	0	0	112.8	Q175 H210	Q175-G179 WeakPolarHBondContact O-CA 3.3Å; Q175-G179 PolarHBondContact O-N 2.8Å; G179-H210 PolarHBondContact O-CE1 3.01Å; G179-H210 PolarHBondContact O-NE2 3.12Å; G179-H210 VanDerWaalsContact O-NE2 3.1Å
180	D	92.1	Very high	93.1	Very high	84 Å²	84	31.2 Å²	31.2	45%	0.449	17%	0.172	S	C	.	.	S	Bend	trans	-54.5	144.1	-175.3	-69.9	-39.9	0	0	0	113.9	Q175 D182 L214 G215	Q175-D180 PolarHBondContact NE2-OD1 2.83Å; D180-D182 PolarHBondContact O-N 2.93Å; D180-L214 WeakPolarHBondContact OD1-CA 3.29Å; D180-G215 PolarHBondContact OD1-N 3.2Å
181	H	92.5	Very high	92.8	Very high	46 Å²	46	41 Å²	41	21%	0.213	21%	0.209	C	C	.	.			trans	-48.7	123.1	-177.8	172.1	75.7	0	0	0	115.1	D183 D186 H210 R211	H181-D183 IonicContact CE1-OD1 3.3Å; H181-D183 PolarHBondContact CE1-OD1 3.34Å; H181-D183 IonicContact NE2-OD1 3Å; H181-D183 PolarHBondContact NE2-OD1 2.85Å; H181-D186 IonicContact CE1-OD2 3.99Å; H181-D186 PolarHBondContact CE1-OD2 3.37Å; H181-D186 IonicContact CG-OD2 2.66Å; H181-D186 IonicContact ND1-OD1 3.73Å; H181-D186 IonicContact ND1-OD2 2.71Å; H181-D186 PolarHBondContact ND1-OD2 2.77Å; H181-H210 VanDerWaalsContact CA-CE1 3.42Å; H181-H210 WeakPolarHBondContact CA-CE1 3.32Å; H181-H210 HydrophobicContact CB-CB 4.44Å; H181-H210 AromaticContact ND1-ND1 3.75Å; H181-R211 HydrophobicContact CB-CG 4.42Å; H181-R211 WeakPolarHBondContact CD2-CG 3.49Å; H181-R211 PolarHBondContact CE1-NE 2.92Å; H181-R211 VanDerWaalsContact NE2-CG 3.3Å; H181-R211 WeakPolarHBondContact NE2-CG 3.39Å; H181-R211 PolarHBondContact NE2-NE 2.82Å
182	D	92.3	Very high	92.5	Very high	85 Å²	85	44.7 Å²	44.7	46%	0.455	24%	0.24	S	C	.	.			trans	-131.4	126.8	165.8	171.2	-82.4	0	0	0	108.9	D180 A184 A185 D186	D180-D182 PolarHBondContact O-N 2.93Å; D182-A184 PolarHBondContact O-N 3.31Å; D182-A184 WeakPolarHBondContact OD1-CA 3.44Å; D182-A184 WeakPolarHBondContact OD1-CB 3.25Å; D182-A184 PolarHBondContact OD1-N 3.32Å; D182-A185 HydrophobicContact CB-CB 3.99Å; D182-A185 PolarHBondContact O-N 3.06Å; D182-A185 PolarHBondContact OD1-N 3.45Å; D182-D186 PolarHBondContact N-OD1 3.12Å; D182-D186 VanDerWaalsContact O-CB 3.3Å; D182-D186 WeakPolarHBondContact O-CB 3.22Å; D182-D186 PolarHBondContact O-N 2.73Å
183	D	90.3	Very high	92.2	Very high	62 Å²	62	46.9 Å²	46.9	33%	0.332	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.7	-168.4	-133	47.5	0	0	0	113.9	H181 R187 M207 R211	H181-D183 IonicContact CE1-OD1 3.3Å; H181-D183 PolarHBondContact CE1-OD1 3.34Å; H181-D183 IonicContact NE2-OD1 3Å; H181-D183 PolarHBondContact NE2-OD1 2.85Å; D183-R187 WeakPolarHBondContact O-CD 3.37Å; D183-R187 WeakPolarHBondContact O-CG 3.39Å; D183-R187 PolarHBondContact O-NE 2.95Å; D183-R187 IonicContact OD2-NE 3.88Å; D183-R187 IonicContact OD2-NH2 2.78Å; D183-M207 HydrophobicContact CB-CE 4.49Å; D183-M207 WeakPolarHBondContact OD1-CE 3.3Å; D183-R211 IonicContact OD1-CZ 2.77Å; D183-R211 IonicContact OD1-NE 2.93Å; D183-R211 IonicContact OD1-NH2 2.59Å; D183-R211 PolarHBondContact OD1-NH2 3.46Å; D183-R211 IonicContact OD2-NH2 3.84Å; D183-R211 PolarHBondContact OD2-NH2 3.26Å
184	A	90.9	Very high	91.9	Very high	69 Å²	69	51.5 Å²	51.5	57%	0.57	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-45.8	174.2	0	0	0	0	0	111.7	D182 R187 E188	D182-A184 PolarHBondContact O-N 3.31Å; D182-A184 WeakPolarHBondContact OD1-CA 3.44Å; D182-A184 WeakPolarHBondContact OD1-CB 3.25Å; D182-A184 PolarHBondContact OD1-N 3.32Å; A184-R187 PolarHBondContact O-N 2.93Å; A184-E188 PolarHBondContact O-N 2.79Å
185	A	90.2	Very high	91.8	Very high	39 Å²	39	51.6 Å²	51.6	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-64.6	-40.5	178.6	0	0	0	0	0	112.2	I178 D182 R187 E188 F189	I178-A185 HydrophobicContact CD1-CB 4.21Å; D182-A185 HydrophobicContact CB-CB 3.99Å; D182-A185 PolarHBondContact O-N 3.06Å; D182-A185 PolarHBondContact OD1-N 3.45Å; A185-R187 VanDerWaalsContact C-N 3.33Å; A185-R187 PolarHBondContact O-N 3.21Å; A185-E188 PolarHBondContact O-N 3.27Å; A185-F189 WeakPolarHBondContact O-CB 3.29Å; A185-F189 PolarHBondContact O-N 2.9Å
186	D	91.5	Very high	91.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.6	-47.9	172	-83	32.7	0	0	0	111	H181 D182 F189 L190 M207 H210	H181-D186 IonicContact CE1-OD2 3.99Å; H181-D186 PolarHBondContact CE1-OD2 3.37Å; H181-D186 IonicContact CG-OD2 2.66Å; H181-D186 IonicContact ND1-OD1 3.73Å; H181-D186 IonicContact ND1-OD2 2.71Å; H181-D186 PolarHBondContact ND1-OD2 2.77Å; D182-D186 PolarHBondContact N-OD1 3.12Å; D182-D186 VanDerWaalsContact O-CB 3.3Å; D182-D186 WeakPolarHBondContact O-CB 3.22Å; D182-D186 PolarHBondContact O-N 2.73Å; D186-F189 PolarHBondContact O-N 2.56Å; D186-L190 VanDerWaalsContact O-CB 3.32Å; D186-L190 WeakPolarHBondContact O-CB 3.46Å; D186-L190 VanDerWaalsContact O-CG 3.28Å; D186-L190 WeakPolarHBondContact O-CG 3.06Å; D186-L190 PolarHBondContact O-N 3.16Å; D186-M207 HydrophobicContact CB-CE 3.84Å; D186-M207 HydrophobicContact CB-CG 4.15Å; D186-M207 HydrophobicContact CB-SD 4.29Å; D186-H210 IonicContact OD1-CE1 3.09Å; D186-H210 PolarHBondContact OD1-CE1 3.16Å; D186-H210 IonicContact OD1-ND1 3.71Å; D186-H210 PolarHBondContact OD1-ND1 2.74Å; D186-H210 IonicContact OD2-CE1 3.85Å; D186-H210 IonicContact OD2-CG 3.05Å; D186-H210 IonicContact OD2-ND1 3.64Å; D186-H210 PolarHBondContact OD2-ND1 3.28Å
187	R	92.8	Very high	91.6	Very high	73 Å²	73	54.9 Å²	54.9	28%	0.275	29%	0.293	S	S	.	.	H	α-helix	trans	-72.6	-32.3	-177.5	-68.1	178.6	-170.7	-75	-7.3	112.5	D183 A184 A185 R191 E204 M207	D183-R187 WeakPolarHBondContact O-CD 3.37Å; D183-R187 WeakPolarHBondContact O-CG 3.39Å; D183-R187 PolarHBondContact O-NE 2.95Å; D183-R187 IonicContact OD2-NE 3.88Å; D183-R187 IonicContact OD2-NH2 2.78Å; A184-R187 PolarHBondContact O-N 2.93Å; A185-R187 VanDerWaalsContact C-N 3.33Å; A185-R187 PolarHBondContact O-N 3.21Å; R187-R191 WeakPolarHBondContact O-CB 3.43Å; R187-R191 PolarHBondContact O-N 3.06Å; R187-E204 IonicContact CZ-OE1 3.55Å; R187-E204 IonicContact CZ-OE2 3.59Å; R187-E204 IonicContact NH1-OE1 2.7Å; R187-E204 PolarHBondContact NH1-OE1 2.65Å; R187-E204 IonicContact NH1-OE2 3.51Å; R187-E204 IonicContact NH2-OE1 2.69Å; R187-E204 IonicContact NH2-OE2 3.89Å; R187-E204 PolarHBondContact NH2-OE2 2.88Å; R187-M207 HydrophobicContact CG-CE 3.77Å; R187-M207 HydrophobicContact CG-SD 3.73Å
188	E	93.4	Very high	91.6	Very high	107 Å²	107	57 Å²	57	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-66.6	-50.4	169.3	-171.4	-163.8	123.1	0	0	110.5	A184 A185 L190 R191 A192 K377	A184-E188 PolarHBondContact O-N 2.79Å; A185-E188 PolarHBondContact O-N 3.27Å; E188-L190 PolarHBondContact O-N 3.3Å; E188-R191 PolarHBondContact O-N 2.97Å; E188-A192 WeakPolarHBondContact O-CB 3.41Å; E188-A192 PolarHBondContact O-N 2.91Å; E188-K377 IonicContact OE1-NZ 3.52Å; E188-K377 PolarHBondContact OE1-NZ 2.96Å
189	F	92.9	Very high	91.7	Very high	18 Å²	18	55.9 Å²	55.9	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-46.7	-176.4	179.7	-99.2	0	0	0	112	V174 E177 I178 A185 D186 A192 N193 L195	V174-F189 HydrophobicContact CB-CE1 4.49Å; V174-F189 HydrophobicContact CG1-CD1 4.15Å; V174-F189 HydrophobicContact CG2-CD1 4.06Å; V174-F189 HydrophobicContact CG2-CE1 4.04Å; E177-F189 HydrophobicContact CB-CE2 3.91Å; E177-F189 HydrophobicContact CB-CZ 3.71Å; E177-F189 HydrophobicContact CG-CE2 4.48Å; E177-F189 HydrophobicContact CG-CZ 3.95Å; I178-F189 HydrophobicContact CD1-CB 4.14Å; I178-F189 HydrophobicContact CD1-CG 4.44Å; I178-F189 HydrophobicContact CG2-CB 4.27Å; I178-F189 HydrophobicContact CG2-CD2 3.5Å; I178-F189 VanDerWaalsContact CG2-CD2 3.5Å; I178-F189 HydrophobicContact CG2-CE2 3.95Å; I178-F189 HydrophobicContact CG2-CG 3.9Å; A185-F189 WeakPolarHBondContact O-CB 3.29Å; A185-F189 PolarHBondContact O-N 2.9Å; D186-F189 PolarHBondContact O-N 2.56Å; F189-A192 PolarHBondContact O-N 3.13Å; F189-N193 WeakPolarHBondContact CD2-ND2 3.36Å; F189-N193 HydrophobicContact CE1-CB 4.41Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.4Å; F189-N193 HydrophobicContact CZ-CB 4.3Å; F189-N193 WeakPolarHBondContact O-CB 3.34Å; F189-N193 PolarHBondContact O-N 3.11Å; F189-N193 PolarHBondContact O-ND2 3.19Å; F189-L195 HydrophobicContact CE1-CD1 4.28Å
190	L	93.3	Very high	91.7	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-69.9	-30.8	177.8	-67.3	170.4	0	0	0	112.2	V174 D186 E188 A192 N193 L195 Q199 Q203 I206 M207	V174-L190 HydrophobicContact CG2-CD2 3.97Å; V174-L190 HydrophobicContact CG2-CG 4.45Å; D186-L190 VanDerWaalsContact O-CB 3.32Å; D186-L190 WeakPolarHBondContact O-CB 3.46Å; D186-L190 VanDerWaalsContact O-CG 3.28Å; D186-L190 WeakPolarHBondContact O-CG 3.06Å; D186-L190 PolarHBondContact O-N 3.16Å; E188-L190 PolarHBondContact O-N 3.3Å; L190-A192 VanDerWaalsContact C-N 3.35Å; L190-N193 VanDerWaalsContact O-O 3.11Å; L190-L195 HydrophobicContact CD2-CD1 3.95Å; L190-L195 HydrophobicContact CD2-CG 4.49Å; L190-Q199 PolarHBondContact O-NE2 3.03Å; L190-Q203 HydrophobicContact CB-CG 4.44Å; L190-Q203 HydrophobicContact CD1-CG 3.88Å; L190-I206 HydrophobicContact CD1-CB 4.38Å; L190-I206 HydrophobicContact CD1-CG2 4.05Å; L190-I206 HydrophobicContact CD2-CD1 4.33Å; L190-I206 HydrophobicContact CD2-CG2 4.29Å; L190-M207 HydrophobicContact CD1-CG 4.14Å
191	R	91.7	Very high	91.8	Very high	205 Å²	205	64.6 Å²	64.6	77%	0.774	33%	0.331	S	S	*	.	H	α-helix	trans	-67.6	-35.7	171.1	-175.6	-177.1	-65.4	142.7	-0.2	112.1	R187 E188	R187-R191 WeakPolarHBondContact O-CB 3.43Å; R187-R191 PolarHBondContact O-N 3.06Å; E188-R191 PolarHBondContact O-N 2.97Å
192	A	90.6	Very high	91.9	Very high	77 Å²	77	62.8 Å²	62.8	64%	0.636	32%	0.324	S	S	*	.	H	α-helix	trans	-82.1	-28.6	179.1	0	0	0	0	0	113.7	E188 F189 L190	E188-A192 WeakPolarHBondContact O-CB 3.41Å; E188-A192 PolarHBondContact O-N 2.91Å; F189-A192 PolarHBondContact O-N 3.13Å; L190-A192 VanDerWaalsContact C-N 3.35Å
193	N	89.9	Confident	92	Very high	57 Å²	57	60.9 Å²	60.9	31%	0.305	31%	0.312	S	S	.	.			trans	-124.5	112.1	-173	-60.2	-91.8	0	0	0	110.8	F189 L190 L195 Q199	F189-N193 WeakPolarHBondContact CD2-ND2 3.36Å; F189-N193 HydrophobicContact CE1-CB 4.41Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.4Å; F189-N193 HydrophobicContact CZ-CB 4.3Å; F189-N193 WeakPolarHBondContact O-CB 3.34Å; F189-N193 PolarHBondContact O-N 3.11Å; F189-N193 PolarHBondContact O-ND2 3.19Å; L190-N193 VanDerWaalsContact O-O 3.11Å; N193-L195 HydrophobicContact CB-CD2 4.32Å; N193-L195 PolarHBondContact O-N 2.96Å; N193-Q199 PolarHBondContact O-NE2 2.93Å; N193-Q199 PolarHBondContact O-OE1 3.26Å
194	K	90.4	Very high	92.2	Very high	100 Å²	100	62.9 Å²	62.9	44%	0.435	32%	0.32	S	S	.	.			trans	-88.8	89.8	175.2	-173.1	149.2	-177.8	155.5	0	111	M155 L196 P197 D200	M155-K194 WeakPolarHBondContact CE-O 3.38Å; M155-K194 WeakPolarHBondContact CG-O 3.21Å; K194-L196 WeakPolarHBondContact CE-O 3.43Å; K194-L196 WeakPolarHBondContact CG-O 3.49Å; K194-P197 WeakPolarHBondContact CE-O 3.45Å; K194-P197 PolarHBondContact NZ-O 3.39Å; K194-P197 VanDerWaalsContact NZ-O 3.09Å; K194-D200 IonicContact NZ-OD2 2.71Å; K194-D200 PolarHBondContact NZ-OD2 3.46Å
195	L	91.4	Very high	92.5	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.016	31%	0.31	C	S	.	.			trans	-73	-27.4	-179.8	-54.2	-179.1	0	0	0	113.5	K151 M155 A170 I173 V174 F189 L190 N193	K151-L195 HydrophobicContact CD-CD2 4.48Å; K151-L195 HydrophobicContact CG-CD2 4.37Å; M155-L195 WeakPolarHBondContact CG-O 3.39Å; A170-L195 HydrophobicContact CB-CB 4.41Å; A170-L195 HydrophobicContact CB-CD1 4.02Å; I173-L195 HydrophobicContact CB-CD1 4.22Å; I173-L195 HydrophobicContact CG2-CD1 3.98Å; I173-L195 HydrophobicContact CG2-CD2 3.88Å; V174-L195 HydrophobicContact CG2-CD1 4.23Å; F189-L195 HydrophobicContact CE1-CD1 4.28Å; L190-L195 HydrophobicContact CD2-CD1 3.95Å; L190-L195 HydrophobicContact CD2-CG 4.49Å; N193-L195 HydrophobicContact CB-CD2 4.32Å; N193-L195 PolarHBondContact O-N 2.96Å
196	L	93.4	Very high	92.8	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	30%	0.295	C	S	.	.	S	Bend	trans	-130.9	142.8	-178.6	-60.1	171.8	0	0	0	110.9	L154 A170 K194 Y198 Q199 V202 I206	L154-L196 HydrophobicContact CB-CD2 4.2Å; L154-L196 HydrophobicContact CD2-CD2 4.26Å; A170-L196 HydrophobicContact CB-CD1 4.05Å; A170-L196 HydrophobicContact CB-CG 4.29Å; K194-L196 WeakPolarHBondContact CE-O 3.43Å; K194-L196 WeakPolarHBondContact CG-O 3.49Å; L196-Y198 HydrophobicContact CB-CE2 4.42Å; L196-Y198 HydrophobicContact CD1-CE2 3.96Å; L196-Y198 PolarHBondContact O-N 3.45Å; L196-Y198 VanDerWaalsContact O-N 3.16Å; L196-Q199 HydrophobicContact CB-CB 4.08Å; L196-Q199 WeakPolarHBondContact O-CB 3.47Å; L196-Q199 PolarHBondContact O-N 3.22Å; L196-Q199 VanDerWaalsContact O-N 3.13Å; L196-V202 HydrophobicContact CD1-CG2 3.77Å; L196-I206 HydrophobicContact CD1-CD1 4.22Å
197	P	91.3	Very high	93	Very high	70 Å²	70	62.4 Å²	62.4	46%	0.455	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36	174.8	-27.2	35.2	0	0	0	113.4	K194	K194-P197 WeakPolarHBondContact CE-O 3.45Å; K194-P197 PolarHBondContact NZ-O 3.39Å; K194-P197 VanDerWaalsContact NZ-O 3.09Å
198	Y	91.3	Very high	93.1	Very high	59 Å²	59	62.5 Å²	62.5	23%	0.231	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	17.9	-178	54.1	-98.2	0	0	0	113.8	E163 L196 D200 K201 V202	E163-Y198 HydrophobicContact CB-CE2 4.13Å; E163-Y198 HydrophobicContact CG-CD2 4.15Å; E163-Y198 HydrophobicContact CG-CE2 3.88Å; L196-Y198 HydrophobicContact CB-CE2 4.42Å; L196-Y198 HydrophobicContact CD1-CE2 3.96Å; L196-Y198 PolarHBondContact O-N 3.45Å; L196-Y198 VanDerWaalsContact O-N 3.16Å; Y198-D200 PolarHBondContact O-N 2.96Å; Y198-K201 WeakPolarHBondContact O-CB 3.37Å; Y198-K201 PolarHBondContact O-N 3.46Å; Y198-V202 HydrophobicContact CD2-CG1 4.02Å; Y198-V202 HydrophobicContact CD2-CG2 3.96Å; Y198-V202 HydrophobicContact CE2-CG1 4.11Å; Y198-V202 HydrophobicContact CE2-CG2 4.09Å
199	Q	92.5	Very high	93.3	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.019	28%	0.28	C	S	.	.	H	α-helix	trans	-45	-41.6	-173.2	-178.4	164.4	-63.3	0	0	114.3	L190 N193 L196 K201 V202 Q203 I206	L190-Q199 PolarHBondContact O-NE2 3.03Å; N193-Q199 PolarHBondContact O-NE2 2.93Å; N193-Q199 PolarHBondContact O-OE1 3.26Å; L196-Q199 HydrophobicContact CB-CB 4.08Å; L196-Q199 WeakPolarHBondContact O-CB 3.47Å; L196-Q199 PolarHBondContact O-N 3.22Å; L196-Q199 VanDerWaalsContact O-N 3.13Å; Q199-K201 PolarHBondContact O-N 2.98Å; Q199-K201 VanDerWaalsContact O-N 3.13Å; Q199-V202 CarbonylContact O-C 3.5Å; Q199-V202 WeakPolarHBondContact O-CG2 3.44Å; Q199-V202 PolarHBondContact O-N 2.84Å; Q199-Q203 PolarHBondContact O-N 3.34Å; Q199-I206 HydrophobicContact CG-CD1 4.13Å
200	D	91.3	Very high	93.5	Very high	115 Å²	115	57.8 Å²	57.8	62%	0.615	28%	0.276	S	S	*	.	H	α-helix	trans	-59.4	-26.8	-175.4	-43	-83.1	0	0	0	112.9	K194 Y198	K194-D200 IonicContact NZ-OD2 2.71Å; K194-D200 PolarHBondContact NZ-OD2 3.46Å; Y198-D200 PolarHBondContact O-N 2.96Å
201	K	93.3	Very high	93.6	Very high	162 Å²	162	63.5 Å²	63.5	70%	0.704	30%	0.298	S	S	*	.	H	α-helix	trans	-79.7	-26.8	174.8	-63.5	-174.8	179.2	-177	0	114.1	E163 Y198 Q199	E163-K201 IonicContact OE1-NZ 3.88Å; Y198-K201 WeakPolarHBondContact O-CB 3.37Å; Y198-K201 PolarHBondContact O-N 3.46Å; Q199-K201 PolarHBondContact O-N 2.98Å; Q199-K201 VanDerWaalsContact O-N 3.13Å
202	V	95	Very high	93.7	Very high	9 Å²	9	61.4 Å²	61.4	6%	0.055	29%	0.29	C	S	.	.	H	α-helix	trans	-114.2	1.8	-168.9	-63.6	0	0	0	0	113	E163 A167 L196 Y198 Q199 E204 R205 I206	E163-V202 HydrophobicContact CB-CG1 3.96Å; E163-V202 HydrophobicContact CG-CG1 4.48Å; A167-V202 HydrophobicContact CB-CB 4.24Å; L196-V202 HydrophobicContact CD1-CG2 3.77Å; Y198-V202 HydrophobicContact CD2-CG1 4.02Å; Y198-V202 HydrophobicContact CD2-CG2 3.96Å; Y198-V202 HydrophobicContact CE2-CG1 4.11Å; Y198-V202 HydrophobicContact CE2-CG2 4.09Å; Q199-V202 CarbonylContact O-C 3.5Å; Q199-V202 WeakPolarHBondContact O-CG2 3.44Å; Q199-V202 PolarHBondContact O-N 2.84Å; V202-E204 PolarHBondContact O-N 2.87Å; V202-R205 CarbonylContact O-C 3.55Å; V202-R205 WeakPolarHBondContact O-CA 3.33Å; V202-R205 WeakPolarHBondContact O-CB 3.46Å; V202-R205 PolarHBondContact O-N 3.45Å; V202-I206 HydrophobicContact CG2-CD1 4.14Å; V202-I206 HydrophobicContact CG2-CG1 4.4Å; V202-I206 PolarHBondContact O-N 2.8Å
203	Q	95.3	Very high	93.9	Very high	45 Å²	45	58.3 Å²	58.3	21%	0.21	26%	0.262	C	S	.	.	H	α-helix	trans	-54.6	-49.6	-171.8	-165.6	-173.7	-85	0	0	113.1	L190 Q199 R205 I206 M207	L190-Q203 HydrophobicContact CB-CG 4.44Å; L190-Q203 HydrophobicContact CD1-CG 3.88Å; Q199-Q203 PolarHBondContact O-N 3.34Å; Q203-R205 PolarHBondContact O-N 3.46Å; Q203-I206 WeakPolarHBondContact O-CB 3.2Å; Q203-I206 PolarHBondContact O-N 3.29Å; Q203-I206 VanDerWaalsContact O-N 3.11Å; Q203-M207 WeakPolarHBondContact O-CG 3.45Å; Q203-M207 PolarHBondContact O-N 3.47Å; Q203-M207 VanDerWaalsContact O-N 3.1Å
204	E	94.3	Very high	94	Very high	104 Å²	104	62 Å²	62	49%	0.486	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-29.7	177.3	-57.9	-53.3	125.7	0	0	112.2	R187 V202 M207 E208	R187-E204 IonicContact CZ-OE1 3.55Å; R187-E204 IonicContact CZ-OE2 3.59Å; R187-E204 IonicContact NH1-OE1 2.7Å; R187-E204 PolarHBondContact NH1-OE1 2.65Å; R187-E204 IonicContact NH1-OE2 3.51Å; R187-E204 IonicContact NH2-OE1 2.69Å; R187-E204 IonicContact NH2-OE2 3.89Å; R187-E204 PolarHBondContact NH2-OE2 2.88Å; V202-E204 PolarHBondContact O-N 2.87Å; E204-M207 PolarHBondContact O-N 3.23Å; E204-E208 WeakPolarHBondContact O-CB 3.18Å; E204-E208 PolarHBondContact O-N 3Å
205	R	96.3	Very high	93.9	Very high	97 Å²	97	59.9 Å²	59.9	37%	0.366	29%	0.287	S	S	.	.	H	α-helix	trans	-77.7	-31.1	176.6	-161.2	-179.2	-171.1	110.1	7.1	112.8	N164 A167 V202 Q203 M207 E208 F209	N164-R205 WeakPolarHBondContact OD1-CD 3.25Å; N164-R205 PolarHBondContact OD1-NE 3.31Å; N164-R205 VanDerWaalsContact OD1-NE 3.09Å; N164-R205 PolarHBondContact OD1-NH1 3.49Å; A167-R205 HydrophobicContact CB-CB 4.33Å; A167-R205 HydrophobicContact CB-CG 4.34Å; V202-R205 CarbonylContact O-C 3.55Å; V202-R205 WeakPolarHBondContact O-CA 3.33Å; V202-R205 WeakPolarHBondContact O-CB 3.46Å; V202-R205 PolarHBondContact O-N 3.45Å; Q203-R205 PolarHBondContact O-N 3.46Å; R205-M207 VanDerWaalsContact C-N 3.33Å; R205-E208 PolarHBondContact O-N 3.4Å; R205-F209 HydrophobicContact CG-CD2 4.18Å; R205-F209 HydrophobicContact CG-CE2 3.86Å; R205-F209 HydrophobicContact CG-CZ 4.37Å; R205-F209 VanDerWaalsContact O-CD2 3.23Å; R205-F209 WeakPolarHBondContact O-CD2 3.45Å; R205-F209 WeakPolarHBondContact O-CG 3.46Å; R205-F209 PolarHBondContact O-N 3.12Å
206	I	96.8	Very high	94	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-48.9	168.8	-62.7	171.6	0	0	0	108.6	A167 A170 S171 V174 L190 L196 Q199 V202 Q203 F209 H210	A167-I206 HydrophobicContact CB-CG1 3.96Å; A170-I206 HydrophobicContact CB-CD1 3.82Å; A170-I206 HydrophobicContact CB-CG1 4Å; A170-I206 HydrophobicContact CB-CG2 4.23Å; S171-I206 VanDerWaalsContact CB-O 3.25Å; S171-I206 WeakPolarHBondContact CB-O 3.3Å; V174-I206 HydrophobicContact CG2-CG2 4.03Å; L190-I206 HydrophobicContact CD1-CB 4.38Å; L190-I206 HydrophobicContact CD1-CG2 4.05Å; L190-I206 HydrophobicContact CD2-CD1 4.33Å; L190-I206 HydrophobicContact CD2-CG2 4.29Å; L196-I206 HydrophobicContact CD1-CD1 4.22Å; Q199-I206 HydrophobicContact CG-CD1 4.13Å; V202-I206 HydrophobicContact CG2-CD1 4.14Å; V202-I206 HydrophobicContact CG2-CG1 4.4Å; V202-I206 PolarHBondContact O-N 2.8Å; Q203-I206 WeakPolarHBondContact O-CB 3.2Å; Q203-I206 PolarHBondContact O-N 3.29Å; Q203-I206 VanDerWaalsContact O-N 3.11Å; I206-F209 PolarHBondContact O-N 3.34Å; I206-H210 WeakPolarHBondContact O-CB 3.16Å; I206-H210 PolarHBondContact O-N 2.88Å
207	M	95.4	Very high	93.9	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.4	-39.7	178.2	-61.8	178.9	62.2	0	0	112.3	D183 D186 R187 L190 Q203 E204 R205 F209 H210 R211	D183-M207 HydrophobicContact CB-CE 4.49Å; D183-M207 WeakPolarHBondContact OD1-CE 3.3Å; D186-M207 HydrophobicContact CB-CE 3.84Å; D186-M207 HydrophobicContact CB-CG 4.15Å; D186-M207 HydrophobicContact CB-SD 4.29Å; R187-M207 HydrophobicContact CG-CE 3.77Å; R187-M207 HydrophobicContact CG-SD 3.73Å; L190-M207 HydrophobicContact CD1-CG 4.14Å; Q203-M207 WeakPolarHBondContact O-CG 3.45Å; Q203-M207 PolarHBondContact O-N 3.47Å; Q203-M207 VanDerWaalsContact O-N 3.1Å; E204-M207 PolarHBondContact O-N 3.23Å; R205-M207 VanDerWaalsContact C-N 3.33Å; M207-F209 VanDerWaalsContact C-N 3.31Å; M207-F209 PolarHBondContact O-N 3.33Å; M207-H210 PolarHBondContact O-N 3.33Å; M207-R211 WeakPolarHBondContact O-CG 3.36Å; M207-R211 PolarHBondContact O-N 2.89Å
208	E	95.6	Very high	93.9	Very high	75 Å²	75	63.7 Å²	63.7	35%	0.35	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-36.2	175.1	-162	-146.5	147.8	0	0	112.8	E204 R205 R212	E204-E208 WeakPolarHBondContact O-CB 3.18Å; E204-E208 PolarHBondContact O-N 3Å; R205-E208 PolarHBondContact O-N 3.4Å; E208-R212 WeakPolarHBondContact O-CG 3.36Å; E208-R212 PolarHBondContact O-NE 2.89Å; E208-R212 IonicContact OE1-CZ 3.26Å; E208-R212 IonicContact OE1-NH2 2.71Å; E208-R212 PolarHBondContact OE1-NH2 3.39Å
209	F	97.3	Very high	93.9	Very high	27 Å²	27	61.6 Å²	61.6	12%	0.118	30%	0.302	C	S	.	.	H	α-helix	trans	-77.1	-37.6	172.1	-69.9	-45.7	0	0	0	112.1	A167 L168 S171 R205 I206 M207 R211 R212	A167-F209 HydrophobicContact CB-CD2 4.17Å; A167-F209 HydrophobicContact CB-CE2 4.1Å; L168-F209 HydrophobicContact CB-CD2 3.96Å; L168-F209 HydrophobicContact CB-CE2 3.93Å; L168-F209 HydrophobicContact CD1-CB 4.15Å; L168-F209 HydrophobicContact CD1-CD1 4.17Å; L168-F209 HydrophobicContact CD1-CD2 4.19Å; L168-F209 HydrophobicContact CD1-CG 3.95Å; S171-F209 VanDerWaalsContact OG-CB 3.26Å; S171-F209 WeakPolarHBondContact OG-CB 3.38Å; R205-F209 HydrophobicContact CG-CD2 4.18Å; R205-F209 HydrophobicContact CG-CE2 3.86Å; R205-F209 HydrophobicContact CG-CZ 4.37Å; R205-F209 VanDerWaalsContact O-CD2 3.23Å; R205-F209 WeakPolarHBondContact O-CD2 3.45Å; R205-F209 WeakPolarHBondContact O-CG 3.46Å; R205-F209 PolarHBondContact O-N 3.12Å; I206-F209 PolarHBondContact O-N 3.34Å; M207-F209 VanDerWaalsContact C-N 3.31Å; M207-F209 PolarHBondContact O-N 3.33Å; F209-R211 VanDerWaalsContact C-N 3.31Å; F209-R211 PolarHBondContact O-N 3.06Å; F209-R212 WeakPolarHBondContact O-CB 3.38Å; F209-R212 PolarHBondContact O-N 3.41Å
210	H	96.6	Very high	93.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-40.7	179.9	-167.9	-152.1	0	0	0	112	V174 Q175 G179 H181 D186 I206 M207 R212 H213	V174-H210 WeakPolarHBondContact CG1-CE1 3.22Å; Q175-H210 WeakPolarHBondContact CA-NE2 3.5Å; Q175-H210 PolarHBondContact N-NE2 2.86Å; Q175-H210 PolarHBondContact OE1-CD2 3.27Å; Q175-H210 VanDerWaalsContact OE1-CD2 3.26Å; Q175-H210 PolarHBondContact OE1-NE2 3.37Å; Q175-H210 VanDerWaalsContact OE1-NE2 3.16Å; G179-H210 PolarHBondContact O-CE1 3.01Å; G179-H210 PolarHBondContact O-NE2 3.12Å; G179-H210 VanDerWaalsContact O-NE2 3.1Å; H181-H210 VanDerWaalsContact CA-CE1 3.42Å; H181-H210 WeakPolarHBondContact CA-CE1 3.32Å; H181-H210 HydrophobicContact CB-CB 4.44Å; H181-H210 AromaticContact ND1-ND1 3.75Å; D186-H210 IonicContact OD1-CE1 3.09Å; D186-H210 PolarHBondContact OD1-CE1 3.16Å; D186-H210 IonicContact OD1-ND1 3.71Å; D186-H210 PolarHBondContact OD1-ND1 2.74Å; D186-H210 IonicContact OD2-CE1 3.85Å; D186-H210 IonicContact OD2-CG 3.05Å; D186-H210 IonicContact OD2-ND1 3.64Å; D186-H210 PolarHBondContact OD2-ND1 3.28Å; I206-H210 WeakPolarHBondContact O-CB 3.16Å; I206-H210 PolarHBondContact O-N 2.88Å; M207-H210 PolarHBondContact O-N 3.33Å; H210-R212 PolarHBondContact O-N 2.66Å; H210-H213 PolarHBondContact O-N 3.04Å
211	R	95.2	Very high	94.1	Very high	123 Å²	123	60.8 Å²	60.8	46%	0.464	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-22.3	170.9	-75	168.3	-176.3	172.8	2.6	115	H181 D183 M207 F209	H181-R211 HydrophobicContact CB-CG 4.42Å; H181-R211 WeakPolarHBondContact CD2-CG 3.49Å; H181-R211 PolarHBondContact CE1-NE 2.92Å; H181-R211 VanDerWaalsContact NE2-CG 3.3Å; H181-R211 WeakPolarHBondContact NE2-CG 3.39Å; H181-R211 PolarHBondContact NE2-NE 2.82Å; D183-R211 IonicContact OD1-CZ 2.77Å; D183-R211 IonicContact OD1-NE 2.93Å; D183-R211 IonicContact OD1-NH2 2.59Å; D183-R211 PolarHBondContact OD1-NH2 3.46Å; D183-R211 IonicContact OD2-NH2 3.84Å; D183-R211 PolarHBondContact OD2-NH2 3.26Å; M207-R211 WeakPolarHBondContact O-CG 3.36Å; M207-R211 PolarHBondContact O-N 2.89Å; F209-R211 VanDerWaalsContact C-N 3.31Å; F209-R211 PolarHBondContact O-N 3.06Å
212	R	95	Very high	94.1	Very high	161 Å²	161	53.1 Å²	53.1	61%	0.608	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.6	-178.9	-51.8	174.6	-173.3	-145.5	1.6	112.9	E208 F209 H210	E208-R212 WeakPolarHBondContact O-CG 3.36Å; E208-R212 PolarHBondContact O-NE 2.89Å; E208-R212 IonicContact OE1-CZ 3.26Å; E208-R212 IonicContact OE1-NH2 2.71Å; E208-R212 PolarHBondContact OE1-NH2 3.39Å; F209-R212 WeakPolarHBondContact O-CB 3.38Å; F209-R212 PolarHBondContact O-N 3.41Å; H210-R212 PolarHBondContact O-N 2.66Å
213	H	94	Very high	94.1	Very high	12 Å²	12	55.9 Å²	55.9	6%	0.056	27%	0.272	C	S	.	.			trans	-98.1	4.1	-178.4	-57.5	-28.4	0	0	0	113.7	S171 H172 Q175 H210 G215 Q216	S171-H213 PolarHBondContact OG-NE2 3.25Å; H172-H213 AromaticContact CD2-CE1 3.97Å; H172-H213 AromaticContact CD2-NE2 3.67Å; H172-H213 AromaticContact CE1-CD2 3.85Å; H172-H213 AromaticContact CE1-CE1 3.12Å; H172-H213 PolarHBondContact CE1-CE1 3.08Å; H172-H213 AromaticContact CE1-CG 3.95Å; H172-H213 AromaticContact CE1-ND1 3.51Å; H172-H213 AromaticContact CE1-NE2 3.34Å; H172-H213 PolarHBondContact CE1-NE2 2.92Å; H172-H213 VanDerWaalsContact CE1-NE2 3.34Å; H172-H213 AromaticContact CG-NE2 3.67Å; H172-H213 AromaticContact ND1-CD2 3.66Å; H172-H213 AromaticContact ND1-CE1 3.72Å; H172-H213 AromaticContact ND1-NE2 3.46Å; H172-H213 PolarHBondContact ND1-NE2 3.35Å; H172-H213 AromaticContact NE2-CE1 3.29Å; H172-H213 PolarHBondContact NE2-CE1 2.92Å; H172-H213 VanDerWaalsContact NE2-CE1 3.29Å; H172-H213 AromaticContact NE2-NE2 3.47Å; H172-H213 PolarHBondContact NE2-NE2 2.99Å; Q175-H213 HydrophobicContact CB-CB 4.47Å; Q175-H213 HydrophobicContact CG-CB 4.07Å; Q175-H213 PolarHBondContact NE2-O 2.77Å; H210-H213 PolarHBondContact O-N 3.04Å; H213-G215 PolarHBondContact O-N 2.9Å; H213-Q216 HydrophobicContact CB-CG 4.4Å; H213-Q216 PolarHBondContact ND1-NE2 3.06Å; H213-Q216 WeakPolarHBondContact O-CB 3.44Å; H213-Q216 VanDerWaalsContact O-CG 3.25Å; H213-Q216 WeakPolarHBondContact O-CG 3.41Å; H213-Q216 PolarHBondContact O-N 3.14Å
214	L	91.6	Very high	94.1	Very high	135 Å²	135	57.4 Å²	57.4	71%	0.707	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	121.5	-176.5	-165.1	162	0	0	0	112	D180	D180-L214 WeakPolarHBondContact OD1-CA 3.29Å
215	G	89.3	Confident	94.2	Very high	55 Å²	55	52.4 Å²	52.4	57%	0.567	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-6.6	-177	0	0	0	0	0	115.2	D180 H213	D180-G215 PolarHBondContact OD1-N 3.2Å; H213-G215 PolarHBondContact O-N 2.9Å
216	Q	93	Very high	94.2	Very high	55 Å²	55	47.9 Å²	47.9	26%	0.257	24%	0.239	S	C	.	.			trans	-71.5	130.4	174.3	-70	175.4	30.7	0	0	110.7	H172 Q175 H213	H172-Q216 PolarHBondContact CE1-OE1 3.18Å; H172-Q216 VanDerWaalsContact CE1-OE1 3.31Å; H172-Q216 PolarHBondContact ND1-OE1 3.39Å; Q175-Q216 HydrophobicContact CG-CB 4.21Å; Q175-Q216 PolarHBondContact NE2-O 3.39Å; H213-Q216 HydrophobicContact CB-CG 4.4Å; H213-Q216 PolarHBondContact ND1-NE2 3.06Å; H213-Q216 WeakPolarHBondContact O-CB 3.44Å; H213-Q216 VanDerWaalsContact O-CG 3.25Å; H213-Q216 WeakPolarHBondContact O-CG 3.41Å; H213-Q216 PolarHBondContact O-N 3.14Å
217	T	91.6	Very high	94.1	Very high	65 Å²	65	49.2 Å²	49.2	40%	0.399	25%	0.245	S	C	.	.			trans	-69.8	158.8	172.8	65.1	0	0	0	0	111.5	A219 E220 S221	T217-A219 PolarHBondContact O-N 2.97Å; T217-E220 VanDerWaalsContact CB-OE2 3.28Å; T217-E220 WeakPolarHBondContact CB-OE2 3.39Å; T217-E220 WeakPolarHBondContact CG2-OE2 3.43Å; T217-E220 PolarHBondContact N-OE2 2.84Å; T217-E220 PolarHBondContact O-N 2.76Å; T217-E220 VanDerWaalsContact OG1-CD 3.32Å; T217-E220 WeakPolarHBondContact OG1-CG 3.33Å; T217-E220 PolarHBondContact OG1-N 2.99Å; T217-E220 PolarHBondContact OG1-OE2 3.33Å; T217-S221 WeakPolarHBondContact O-CB 3.36Å; T217-S221 PolarHBondContact O-N 2.89Å; T217-S221 PolarHBondContact O-OG 3.39Å
218	P	92.1	Very high	94.1	Very high	34 Å²	34	50.5 Å²	50.5	22%	0.221	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-32.6	170.1	-29.2	37.8	0	0	0	113.7	S221 D222 R373	P218-S221 PolarHBondContact O-N 2.95Å; P218-D222 VanDerWaalsContact O-CG 3.29Å; P218-D222 PolarHBondContact O-N 3.17Å; P218-R373 VanDerWaalsContact CB-CZ 3.41Å
219	A	90.1	Very high	94.1	Very high	16 Å²	16	46.9 Å²	46.9	13%	0.132	24%	0.235	C	C	.	.	H	α-helix	trans	-67.7	-40	178.5	0	0	0	0	0	113.2	E140 T217 F223	E140-A219 HydrophobicContact CG-CB 4.09Å; E140-A219 VanDerWaalsContact OE1-CB 3.31Å; E140-A219 WeakPolarHBondContact OE1-CB 3.46Å; E140-A219 WeakPolarHBondContact OE2-CB 3.45Å; T217-A219 PolarHBondContact O-N 2.97Å; A219-F223 PolarHBondContact O-N 3.35Å
220	E	92.6	Very high	93.8	Very high	102 Å²	102	50.2 Å²	50.2	48%	0.477	25%	0.247	S	C	.	.	H	α-helix	trans	-72	-41.5	174.2	-69.7	160.5	126.7	0	0	110.7	T217 D222 F223 Q224	T217-E220 VanDerWaalsContact CB-OE2 3.28Å; T217-E220 WeakPolarHBondContact CB-OE2 3.39Å; T217-E220 WeakPolarHBondContact CG2-OE2 3.43Å; T217-E220 PolarHBondContact N-OE2 2.84Å; T217-E220 PolarHBondContact O-N 2.76Å; T217-E220 VanDerWaalsContact OG1-CD 3.32Å; T217-E220 WeakPolarHBondContact OG1-CG 3.33Å; T217-E220 PolarHBondContact OG1-N 2.99Å; T217-E220 PolarHBondContact OG1-OE2 3.33Å; E220-D222 PolarHBondContact O-N 2.89Å; E220-F223 CarbonylContact O-C 3.59Å; E220-F223 WeakPolarHBondContact O-CA 3.12Å; E220-F223 WeakPolarHBondContact O-CB 3.43Å; E220-F223 PolarHBondContact O-N 3.12Å; E220-F223 VanDerWaalsContact O-N 3.08Å; E220-Q224 WeakPolarHBondContact O-CG 3.42Å; E220-Q224 PolarHBondContact O-N 3.45Å
221	S	95.3	Very high	93.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-43.1	177.2	-62.6	0	0	0	0	112.2	Q175 T217 P218 F223 Q224 I225	Q175-S221 WeakPolarHBondContact CG-OG 3.43Å; T217-S221 WeakPolarHBondContact O-CB 3.36Å; T217-S221 PolarHBondContact O-N 2.89Å; T217-S221 PolarHBondContact O-OG 3.39Å; P218-S221 PolarHBondContact O-N 2.95Å; S221-F223 VanDerWaalsContact C-N 3.33Å; S221-F223 PolarHBondContact O-N 3.49Å; S221-Q224 PolarHBondContact O-N 2.97Å; S221-I225 WeakPolarHBondContact O-CG1 3.15Å; S221-I225 PolarHBondContact O-N 3.47Å
222	D	94.4	Very high	93.4	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-38.9	172.3	-72.5	-37.3	0	0	0	112.5	Y144 S147 P218 E220 I225 L226 R373	Y144-D222 WeakPolarHBondContact CD2-OD2 3.15Å; S147-D222 WeakPolarHBondContact CB-OD1 3.35Å; S147-D222 VanDerWaalsContact OG-CG 3.26Å; S147-D222 PolarHBondContact OG-OD1 3.44Å; P218-D222 VanDerWaalsContact O-CG 3.29Å; P218-D222 PolarHBondContact O-N 3.17Å; E220-D222 PolarHBondContact O-N 2.89Å; D222-I225 PolarHBondContact O-N 2.93Å; D222-L226 WeakPolarHBondContact O-CG 3.1Å; D222-L226 PolarHBondContact O-N 2.86Å; D222-R373 IonicContact OD1-NH1 3.09Å; D222-R373 IonicContact OD2-CZ 3.7Å; D222-R373 IonicContact OD2-NH1 2.64Å; D222-R373 PolarHBondContact OD2-NH1 3Å; D222-R373 IonicContact OD2-NH2 3.69Å; D222-R373 PolarHBondContact OD2-NH2 3.09Å
223	F	94.1	Very high	93.1	Very high	67 Å²	67	48.9 Å²	48.9	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-40.2	174.4	-172.7	-99.2	0	0	0	111.7	P134 A219 E220 S221 L226 E227	P134-F223 HydrophobicContact CB-CD2 4.31Å; P134-F223 HydrophobicContact CB-CE2 3.97Å; A219-F223 PolarHBondContact O-N 3.35Å; E220-F223 CarbonylContact O-C 3.59Å; E220-F223 WeakPolarHBondContact O-CA 3.12Å; E220-F223 WeakPolarHBondContact O-CB 3.43Å; E220-F223 PolarHBondContact O-N 3.12Å; E220-F223 VanDerWaalsContact O-N 3.08Å; S221-F223 VanDerWaalsContact C-N 3.33Å; S221-F223 PolarHBondContact O-N 3.49Å; F223-L226 PolarHBondContact O-N 3.14Å; F223-E227 HydrophobicContact CD1-CG 3.98Å; F223-E227 HydrophobicContact CE1-CG 3.54Å; F223-E227 HydrophobicContact CZ-CG 3.97Å; F223-E227 WeakPolarHBondContact O-CB 3.45Å; F223-E227 PolarHBondContact O-N 3.48Å
224	Q	95.7	Very high	93	Very high	76 Å²	76	49 Å²	49	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-39.2	174.5	-64.6	-55.6	-22.6	0	0	112.5	E220 S221 L226 E227 I228	E220-Q224 WeakPolarHBondContact O-CG 3.42Å; E220-Q224 PolarHBondContact O-N 3.45Å; S221-Q224 PolarHBondContact O-N 2.97Å; Q224-L226 VanDerWaalsContact C-N 3.28Å; Q224-L226 PolarHBondContact O-N 3.05Å; Q224-E227 PolarHBondContact O-N 3.4Å; Q224-I228 WeakPolarHBondContact O-CB 3.39Å; Q224-I228 WeakPolarHBondContact O-CD1 3.23Å; Q224-I228 VanDerWaalsContact O-CG1 3.26Å; Q224-I228 WeakPolarHBondContact O-CG1 3.42Å; Q224-I228 PolarHBondContact O-N 3Å
225	I	96.6	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55	-46	173.1	-70.6	163	0	0	0	110.3	M150 L169 H172 I173 S221 D222 A229	M150-I225 HydrophobicContact CB-CG2 3.83Å; M150-I225 HydrophobicContact CG-CG2 4.17Å; L169-I225 HydrophobicContact CD2-CG2 4.23Å; L169-I225 WeakPolarHBondContact CD2-O 3.27Å; H172-I225 HydrophobicContact CB-CD1 4.05Å; H172-I225 HydrophobicContact CB-CG1 3.61Å; I173-I225 HydrophobicContact CB-CD1 4.43Å; I173-I225 HydrophobicContact CG1-CD1 3.51Å; I173-I225 HydrophobicContact CG1-CG1 4.29Å; S221-I225 WeakPolarHBondContact O-CG1 3.15Å; S221-I225 PolarHBondContact O-N 3.47Å; D222-I225 PolarHBondContact O-N 2.93Å; I225-A229 WeakPolarHBondContact O-CB 3.46Å; I225-A229 PolarHBondContact O-N 3.02Å
226	L	96.1	Very high	93.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-73.2	-37.9	179.8	-58.1	-179.2	0	0	0	112.8	P134 L137 R143 F146 M150 D222 F223 Q224 I228 A229 R230	P134-L226 HydrophobicContact CB-CB 3.76Å; P134-L226 HydrophobicContact CB-CD1 4.16Å; P134-L226 HydrophobicContact CG-CB 3.57Å; L137-L226 HydrophobicContact CD1-CD1 4.16Å; R143-L226 HydrophobicContact CB-CD1 4.28Å; R143-L226 HydrophobicContact CG-CD1 4.41Å; F146-L226 HydrophobicContact CB-CD1 3.8Å; F146-L226 HydrophobicContact CB-CD2 3.81Å; F146-L226 HydrophobicContact CB-CG 4.45Å; M150-L226 HydrophobicContact CG-CD2 3.85Å; D222-L226 WeakPolarHBondContact O-CG 3.1Å; D222-L226 PolarHBondContact O-N 2.86Å; F223-L226 PolarHBondContact O-N 3.14Å; Q224-L226 VanDerWaalsContact C-N 3.28Å; Q224-L226 PolarHBondContact O-N 3.05Å; L226-I228 VanDerWaalsContact C-N 3.32Å; L226-I228 PolarHBondContact O-N 2.86Å; L226-A229 PolarHBondContact O-N 3.47Å; L226-R230 WeakPolarHBondContact O-CB 3.38Å; L226-R230 WeakPolarHBondContact O-CG 3.44Å; L226-R230 PolarHBondContact O-N 2.99Å
227	E	94.4	Very high	93.1	Very high	29 Å²	29	39.4 Å²	39.4	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-35.2	174.3	-91.5	-60	117.4	0	0	112.9	F223 Q224 R230 K231	F223-E227 HydrophobicContact CD1-CG 3.98Å; F223-E227 HydrophobicContact CE1-CG 3.54Å; F223-E227 HydrophobicContact CZ-CG 3.97Å; F223-E227 WeakPolarHBondContact O-CB 3.45Å; F223-E227 PolarHBondContact O-N 3.48Å; Q224-E227 PolarHBondContact O-N 3.4Å; E227-R230 IonicContact OE1-CZ 2.91Å; E227-R230 IonicContact OE1-NE 2.77Å; E227-R230 PolarHBondContact OE1-NE 3.1Å; E227-R230 IonicContact OE1-NH2 3.85Å; E227-R230 PolarHBondContact OE1-NH2 2.78Å; E227-R230 IonicContact OE2-CZ 3.97Å; E227-R230 IonicContact OE2-NE 2.71Å; E227-R230 PolarHBondContact OE2-NE 3.16Å; E227-R230 IonicContact OE2-NH2 3.82Å; E227-R230 PolarHBondContact OE2-NH2 2.91Å; E227-K231 VanDerWaalsContact O-CD 3.23Å; E227-K231 WeakPolarHBondContact O-CD 3.48Å; E227-K231 WeakPolarHBondContact O-CE 3.41Å; E227-K231 WeakPolarHBondContact O-CG 3.29Å; E227-K231 PolarHBondContact O-NZ 3.47Å; E227-K231 IonicContact OE2-NZ 3.69Å; E227-K231 PolarHBondContact OE2-NZ 2.78Å; E227-K231 VanDerWaalsContact OE2-NZ 3.07Å
228	I	95.6	Very high	93.1	Very high	26 Å²	26	38.8 Å²	38.8	13%	0.133	18%	0.18	C	C	.	.	H	α-helix	trans	-77.4	-48.1	173.7	-64	161.1	0	0	0	109.6	T165 L168 L169 Q224 L226 R230 K231	T165-I228 HydrophobicContact CG2-CG2 3.92Å; L168-I228 HydrophobicContact CD2-CD1 3.85Å; L168-I228 HydrophobicContact CG-CD1 3.93Å; L169-I228 HydrophobicContact CD1-CG2 4.24Å; L169-I228 HydrophobicContact CD2-CB 3.72Å; L169-I228 HydrophobicContact CD2-CD1 4.49Å; L169-I228 HydrophobicContact CD2-CG2 3.63Å; L169-I228 HydrophobicContact CG-CB 4.42Å; L169-I228 HydrophobicContact CG-CG2 3.79Å; Q224-I228 WeakPolarHBondContact O-CB 3.39Å; Q224-I228 WeakPolarHBondContact O-CD1 3.23Å; Q224-I228 VanDerWaalsContact O-CG1 3.26Å; Q224-I228 WeakPolarHBondContact O-CG1 3.42Å; Q224-I228 PolarHBondContact O-N 3Å; L226-I228 VanDerWaalsContact C-N 3.32Å; L226-I228 PolarHBondContact O-N 2.86Å; I228-R230 PolarHBondContact O-N 2.92Å; I228-K231 WeakPolarHBondContact O-CB 3.28Å; I228-K231 PolarHBondContact O-N 3.08Å
229	A	95.1	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-43.6	-175.6	0	0	0	0	0	112.7	M150 L159 I225 L226 K231 L232 Y235	M150-A229 HydrophobicContact CG-CB 3.88Å; M150-A229 HydrophobicContact SD-CB 3.61Å; L159-A229 HydrophobicContact CD2-CB 4.1Å; I225-A229 WeakPolarHBondContact O-CB 3.46Å; I225-A229 PolarHBondContact O-N 3.02Å; L226-A229 PolarHBondContact O-N 3.47Å; A229-K231 PolarHBondContact O-N 3.32Å; A229-L232 WeakPolarHBondContact O-CB 3.35Å; A229-L232 PolarHBondContact O-N 2.89Å; A229-Y235 HydrophobicContact CB-CD2 4.13Å; A229-Y235 WeakPolarHBondContact O-CB 3.48Å
230	R	92.6	Very high	93.3	Very high	96 Å²	96	41.5 Å²	41.5	36%	0.362	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.2	-179.6	76.6	-179.3	-178.9	79.1	0	114.9	P134 L226 E227 I228 L232 Y235	P134-R230 VanDerWaalsContact CD-CD 3.42Å; L226-R230 WeakPolarHBondContact O-CB 3.38Å; L226-R230 WeakPolarHBondContact O-CG 3.44Å; L226-R230 PolarHBondContact O-N 2.99Å; E227-R230 IonicContact OE1-CZ 2.91Å; E227-R230 IonicContact OE1-NE 2.77Å; E227-R230 PolarHBondContact OE1-NE 3.1Å; E227-R230 IonicContact OE1-NH2 3.85Å; E227-R230 PolarHBondContact OE1-NH2 2.78Å; E227-R230 IonicContact OE2-CZ 3.97Å; E227-R230 IonicContact OE2-NE 2.71Å; E227-R230 PolarHBondContact OE2-NE 3.16Å; E227-R230 IonicContact OE2-NH2 3.82Å; E227-R230 PolarHBondContact OE2-NH2 2.91Å; I228-R230 PolarHBondContact O-N 2.92Å; R230-L232 VanDerWaalsContact C-N 3.35Å; R230-Y235 HydrophobicContact CB-CD1 4.17Å; R230-Y235 HydrophobicContact CB-CE1 4.13Å; R230-Y235 HydrophobicContact CB-CG 4.45Å
231	K	91.9	Very high	93.3	Very high	132 Å²	132	40.5 Å²	40.5	57%	0.574	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.1	178.1	-62.2	167.1	-179.4	125.6	0	111.8	E227 I228 A229	E227-K231 VanDerWaalsContact O-CD 3.23Å; E227-K231 WeakPolarHBondContact O-CD 3.48Å; E227-K231 WeakPolarHBondContact O-CE 3.41Å; E227-K231 WeakPolarHBondContact O-CG 3.29Å; E227-K231 PolarHBondContact O-NZ 3.47Å; E227-K231 IonicContact OE2-NZ 3.69Å; E227-K231 PolarHBondContact OE2-NZ 2.78Å; E227-K231 VanDerWaalsContact OE2-NZ 3.07Å; I228-K231 WeakPolarHBondContact O-CB 3.28Å; I228-K231 PolarHBondContact O-N 3.08Å; A229-K231 PolarHBondContact O-N 3.32Å
232	L	91.4	Very high	93.3	Very high	31 Å²	31	41 Å²	41	16%	0.162	19%	0.192	C	C	.	.	S	Bend	trans	-86.7	137.5	176.6	-62.1	172.4	0	0	0	111.4	L159 C161 T165 L169 A229 R230 M234 Y235	L159-L232 HydrophobicContact CD1-CB 4.01Å; L159-L232 HydrophobicContact CD1-CD1 3.76Å; L159-L232 HydrophobicContact CD2-CD1 4.02Å; L159-L232 HydrophobicContact CG-CD1 3.73Å; C161-L232 HydrophobicContact CB-CD1 3.72Å; C161-L232 HydrophobicContact CB-CD2 3.78Å; C161-L232 HydrophobicContact CB-CG 4.43Å; T165-L232 HydrophobicContact CG2-CD2 4.23Å; L169-L232 HydrophobicContact CD1-CD1 4.06Å; A229-L232 WeakPolarHBondContact O-CB 3.35Å; A229-L232 PolarHBondContact O-N 2.89Å; R230-L232 VanDerWaalsContact C-N 3.35Å; L232-M234 PolarHBondContact O-N 3.42Å; L232-M234 VanDerWaalsContact O-N 3.13Å; L232-Y235 WeakPolarHBondContact O-CB 3.38Å; L232-Y235 PolarHBondContact O-N 3.04Å; L232-Y235 VanDerWaalsContact O-N 3.08Å
233	E	88.5	Confident	93.4	Very high	94 Å²	94	41.9 Å²	41.9	44%	0.439	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.5	-178.6	179.4	161.5	-124.6	0	0	113.7	V237 F262 K267	E233-V237 WeakPolarHBondContact O-CG2 3.43Å; E233-F262 HydrophobicContact CG-CE1 4.04Å; E233-F262 HydrophobicContact CG-CZ 4.25Å; E233-K267 WeakPolarHBondContact OE1-CB 3.47Å; E233-K267 IonicContact OE1-NZ 2.74Å; E233-K267 PolarHBondContact OE1-NZ 3.21Å
234	M	91.6	Very high	93.2	Very high	15 Å²	15	40.4 Å²	40.4	7%	0.074	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1.4	179.5	-66.7	-58.8	-65.3	0	0	114.6	L159 I160 L232 G236 V237 F239 F262	L159-M234 HydrophobicContact CD1-CB 4.23Å; I160-M234 HydrophobicContact CB-CG 3.89Å; I160-M234 HydrophobicContact CD1-CE 4.42Å; I160-M234 HydrophobicContact CD1-CG 4.23Å; I160-M234 HydrophobicContact CG1-CG 4.06Å; L232-M234 PolarHBondContact O-N 3.42Å; L232-M234 VanDerWaalsContact O-N 3.13Å; M234-G236 PolarHBondContact O-N 3Å; M234-V237 HydrophobicContact CE-CB 4.03Å; M234-V237 HydrophobicContact CE-CG1 3.7Å; M234-V237 WeakPolarHBondContact O-CB 3.37Å; M234-V237 PolarHBondContact O-N 3.11Å; M234-V237 HydrophobicContact SD-CB 4.32Å; M234-V237 HydrophobicContact SD-CG1 4.1Å; M234-F239 HydrophobicContact CE-CE1 4.31Å; M234-F239 HydrophobicContact CE-CE2 3.73Å; M234-F239 HydrophobicContact CE-CZ 3.6Å; M234-F239 HydrophobicContact SD-CE2 4.46Å; M234-F239 HydrophobicContact SD-CZ 3.83Å; M234-F262 HydrophobicContact SD-CE1 4.32Å
235	Y	92.9	Very high	92.7	Very high	30 Å²	30	43.3 Å²	43.3	12%	0.118	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	119.5	179.6	173.1	-109.1	0	0	0	112.3	F130 P131 M150 A229 R230 L232 V237	F130-Y235 HydrophobicContact CB-CE1 4.17Å; F130-Y235 HydrophobicContact CD1-CE2 4.05Å; P131-Y235 WeakPolarHBondContact O-CE1 3.3Å; P131-Y235 PolarHBondContact O-OH 2.79Å; P131-Y235 VanDerWaalsContact O-OH 3.12Å; M150-Y235 HydrophobicContact CE-CD2 4.43Å; M150-Y235 HydrophobicContact CE-CE2 4.39Å; M150-Y235 HydrophobicContact SD-CD2 3.77Å; M150-Y235 HydrophobicContact SD-CE2 3.93Å; A229-Y235 HydrophobicContact CB-CD2 4.13Å; A229-Y235 WeakPolarHBondContact O-CB 3.48Å; R230-Y235 HydrophobicContact CB-CD1 4.17Å; R230-Y235 HydrophobicContact CB-CE1 4.13Å; R230-Y235 HydrophobicContact CB-CG 4.45Å; L232-Y235 WeakPolarHBondContact O-CB 3.38Å; L232-Y235 PolarHBondContact O-N 3.04Å; L232-Y235 VanDerWaalsContact O-N 3.08Å; Y235-V237 PolarHBondContact O-N 3Å; Y235-V237 VanDerWaalsContact O-N 3.16Å
236	G	91.2	Very high	92.2	Very high	4 Å²	4	51.8 Å²	51.8	4%	0.041	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	5.6	-176.9	0	0	0	0	0	115.3	F130 M234	F130-G236 VanDerWaalsContact CD2-CA 3.43Å; F130-G236 VanDerWaalsContact CG-CA 3.43Å; M234-G236 PolarHBondContact O-N 3Å
237	V	91.9	Very high	91.7	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	27%	0.266	C	S	.	.			trans	-72.4	135.2	-177.8	170.8	0	0	0	0	110.7	E233 M234 Y235 F239 T253 F262	E233-V237 WeakPolarHBondContact O-CG2 3.43Å; M234-V237 HydrophobicContact CE-CB 4.03Å; M234-V237 HydrophobicContact CE-CG1 3.7Å; M234-V237 WeakPolarHBondContact O-CB 3.37Å; M234-V237 PolarHBondContact O-N 3.11Å; M234-V237 HydrophobicContact SD-CB 4.32Å; M234-V237 HydrophobicContact SD-CG1 4.1Å; Y235-V237 PolarHBondContact O-N 3Å; Y235-V237 VanDerWaalsContact O-N 3.16Å; V237-F239 HydrophobicContact CG1-CD1 3.64Å; V237-F239 HydrophobicContact CG1-CE1 3.39Å; V237-F239 HydrophobicContact CG1-CG 4.45Å; V237-F239 HydrophobicContact CG1-CZ 4.02Å; V237-T253 HydrophobicContact CG1-CG2 4.09Å; V237-T253 HydrophobicContact CG2-CG2 4.49Å; V237-F262 HydrophobicContact CG2-CZ 4.21Å
238	R	91.3	Very high	91.6	Very high	52 Å²	52	55 Å²	55	20%	0.196	27%	0.274	C	S	.	.			trans	-136.8	105.5	176.8	-59.2	-64.6	177.2	-111.9	5	108.5	D153 H240 T253	D153-R238 VanDerWaalsContact CG-NH2 3.35Å; D153-R238 IonicContact OD1-CZ 2.7Å; D153-R238 IonicContact OD1-NH1 3.28Å; D153-R238 IonicContact OD1-NH2 2.77Å; D153-R238 PolarHBondContact OD1-NH2 2.88Å; D153-R238 VanDerWaalsContact OD1-NH2 3.12Å; D153-R238 IonicContact OD2-CZ 3.11Å; D153-R238 IonicContact OD2-NH1 3.83Å; D153-R238 PolarHBondContact OD2-NH1 2.92Å; D153-R238 IonicContact OD2-NH2 3.45Å; D153-R238 PolarHBondContact OD2-NH2 3.4Å; R238-H240 PolarHBondContact O-CD2 3.41Å; R238-T253 PolarHBondContact N-OG1 2.94Å; R238-T253 VanDerWaalsContact N-OG1 3.11Å; R238-T253 WeakPolarHBondContact O-CB 3.23Å; R238-T253 PolarHBondContact O-OG1 2.85Å
239	F	92.6	Very high	91.6	Very high	61 Å²	61	62.7 Å²	62.7	27%	0.268	31%	0.306	S	S	.	.			trans	-75.6	131.3	-174.6	-69.7	-32.2	0	0	0	112.9	M234 V237 N251 F262	M234-F239 HydrophobicContact CE-CE1 4.31Å; M234-F239 HydrophobicContact CE-CE2 3.73Å; M234-F239 HydrophobicContact CE-CZ 3.6Å; M234-F239 HydrophobicContact SD-CE2 4.46Å; M234-F239 HydrophobicContact SD-CZ 3.83Å; V237-F239 HydrophobicContact CG1-CD1 3.64Å; V237-F239 HydrophobicContact CG1-CE1 3.39Å; V237-F239 HydrophobicContact CG1-CG 4.45Å; V237-F239 HydrophobicContact CG1-CZ 4.02Å; F239-N251 HydrophobicContact CB-CB 3.85Å; F239-N251 HydrophobicContact CD1-CB 3.5Å; F239-N251 HydrophobicContact CD2-CB 4.33Å; F239-N251 HydrophobicContact CE1-CB 4.08Å; F239-N251 HydrophobicContact CG-CB 3.65Å; F239-F262 HydrophobicContact CE1-CB 3.8Å; F239-F262 AromaticContact CE1-CD1 3.73Å; F239-F262 HydrophobicContact CE1-CD1 3.73Å; F239-F262 AromaticContact CE1-CD2 3.91Å; F239-F262 HydrophobicContact CE1-CD2 3.91Å; F239-F262 HydrophobicContact CE1-CE1 4.2Å; F239-F262 HydrophobicContact CE1-CE2 4.38Å; F239-F262 AromaticContact CE1-CG 3.56Å; F239-F262 HydrophobicContact CE1-CG 3.56Å; F239-F262 HydrophobicContact CZ-CB 4.27Å; F239-F262 AromaticContact CZ-CD1 3.88Å; F239-F262 HydrophobicContact CZ-CD1 3.88Å; F239-F262 HydrophobicContact CZ-CE1 4.38Å; F239-F262 HydrophobicContact CZ-CG 4.13Å
240	H	93	Very high	91.6	Very high	47 Å²	47	63 Å²	63	22%	0.218	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	106.8	168.3	-63	-85.3	0	0	0	109	R238 L252 M306 F315	R238-H240 PolarHBondContact O-CD2 3.41Å; H240-L252 PolarHBondContact N-O 3.16Å; H240-L252 PolarHBondContact O-N 3.36Å; H240-M306 HydrophobicContact CB-CE 3.68Å; H240-F315 HydrophobicContact CB-CD2 3.82Å; H240-F315 HydrophobicContact CB-CE2 4.23Å; H240-F315 HydrophobicContact CB-CG 4.46Å; H240-F315 AromaticContact CD2-CD2 3.39Å; H240-F315 WeakPolarHBondContact CD2-CD2 3.42Å; H240-F315 AromaticContact CD2-CE2 3.67Å; H240-F315 AromaticContact CG-CD2 3.54Å; H240-F315 AromaticContact NE2-CD2 3.97Å
241	P	93.6	Very high	91.7	Very high	80 Å²	80	59.9 Å²	59.9	52%	0.519	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	136.3	-176.9	-28	36.3	0	0	0	113.7
242	A	95.6	Very high	92	Very high	11 Å²	11	53.8 Å²	53.8	9%	0.091	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	177.3	178	0	0	0	0	0	111.2	I250 L252 M305 M306	A242-I250 CarbonylContact C-O 3.56Å; A242-I250 HydrophobicContact CB-CD1 4.37Å; A242-I250 HydrophobicContact CB-CG1 4.13Å; A242-I250 PolarHBondContact N-O 2.96Å; A242-I250 WeakPolarHBondContact O-CG1 3.19Å; A242-I250 PolarHBondContact O-N 3.25Å; A242-L252 HydrophobicContact CB-CD1 4Å; A242-L252 HydrophobicContact CB-CG 4.02Å; A242-M305 CarbonylContact C-O 3.6Å; A242-M305 VanDerWaalsContact CA-O 3.25Å; A242-M305 WeakPolarHBondContact CA-O 3.14Å; A242-M306 HydrophobicContact CB-CG 4.14Å
243	A	95.3	Very high	92.1	Very high	20 Å²	20	52.4 Å²	52.4	17%	0.165	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	159	160.3	0	0	0	0	0	110.1	T248 F304 M305	A243-T248 WeakPolarHBondContact CA-O 3.31Å; A243-F304 CarbonylContact O-C 3.58Å; A243-F304 VanDerWaalsContact O-CA 3.28Å; A243-F304 WeakPolarHBondContact O-CA 3.45Å; A243-M305 HydrophobicContact CB-CB 4.49Å; A243-M305 PolarHBondContact N-O 3.06Å; A243-M305 PolarHBondContact O-N 2.97Å
244	D	90.8	Very high	92.5	Very high	35 Å²	35	48.2 Å²	48.2	19%	0.187	25%	0.246	C	C	.	.			trans	-80.8	-154	168.7	61.7	19	0	0	0	111.9	E246 G247 T248 I250 F304	D244-E246 WeakPolarHBondContact OD1-CA 3.45Å; D244-E246 PolarHBondContact OD1-N 2.95Å; D244-G247 PolarHBondContact OD1-N 3.34Å; D244-T248 PolarHBondContact N-O 3.46Å; D244-T248 PolarHBondContact OD1-N 3.28Å; D244-T248 PolarHBondContact OD1-OG1 3.16Å; D244-T248 WeakPolarHBondContact OD2-CB 3.41Å; D244-T248 PolarHBondContact OD2-OG1 3.06Å; D244-I250 HydrophobicContact CB-CD1 4.34Å; D244-F304 HydrophobicContact CB-CD1 4.44Å
245	R	84.8	Confident	92.5	Very high	138 Å²	138	48.1 Å²	48.1	52%	0.521	25%	0.248	S	C	.	.	S	Bend	trans	-80	-25.3	175.8	-74.7	-174.6	166.2	154	3.2	113.9	I301 E303	R245-I301 PolarHBondContact NH1-O 3.28Å; R245-I301 PolarHBondContact NH2-O 3.21Å; R245-E303 HydrophobicContact CG-CB 4.41Å
246	E	85.3	Confident	92.5	Very high	177 Å²	177	49.1 Å²	49.1	83%	0.827	25%	0.254	S	S	*	.	S	Bend	trans	-90.9	-17.4	-176.2	-71.3	153.4	-135.9	0	0	111.2	D244	D244-E246 WeakPolarHBondContact OD1-CA 3.45Å; D244-E246 PolarHBondContact OD1-N 2.95Å
247	G	86.8	Confident	92.4	Very high	50 Å²	50	52.4 Å²	52.4	52%	0.515	27%	0.268	S	S	.	.			trans	105.4	2.6	178.9	0	0	0	0	0	113.4	D244 K249	D244-G247 PolarHBondContact OD1-N 3.34Å; G247-K249 PolarHBondContact O-N 3.19Å
248	T	92.1	Very high	92.5	Very high	49 Å²	49	52 Å²	52	30%	0.301	27%	0.266	S	S	.	.			trans	-61.6	126.6	-180	-41.8	0	0	0	0	110.1	A243 D244 I250	A243-T248 WeakPolarHBondContact CA-O 3.31Å; D244-T248 PolarHBondContact N-O 3.46Å; D244-T248 PolarHBondContact OD1-N 3.28Å; D244-T248 PolarHBondContact OD1-OG1 3.16Å; D244-T248 WeakPolarHBondContact OD2-CB 3.41Å; D244-T248 PolarHBondContact OD2-OG1 3.06Å; T248-I250 PolarHBondContact O-N 2.77Å
249	K	94.6	Very high	92.6	Very high	186 Å²	186	49.7 Å²	49.7	81%	0.809	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.1	175.6	-66.3	177.5	-177.3	172.8	0	109.9	G247	G247-K249 PolarHBondContact O-N 3.19Å
250	I	96.2	Very high	92.7	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	163.2	-178.1	54.6	164.2	0	0	0	110.4	A242 D244 T248 L252 V261 F262 I268 F304	A242-I250 CarbonylContact C-O 3.56Å; A242-I250 HydrophobicContact CB-CD1 4.37Å; A242-I250 HydrophobicContact CB-CG1 4.13Å; A242-I250 PolarHBondContact N-O 2.96Å; A242-I250 WeakPolarHBondContact O-CG1 3.19Å; A242-I250 PolarHBondContact O-N 3.25Å; D244-I250 HydrophobicContact CB-CD1 4.34Å; T248-I250 PolarHBondContact O-N 2.77Å; I250-L252 HydrophobicContact CD1-CD2 4.06Å; I250-V261 HydrophobicContact CB-CG1 4.19Å; I250-V261 HydrophobicContact CD1-CG1 3.89Å; I250-V261 HydrophobicContact CG2-CG1 4.32Å; I250-F262 CarbonylContact C-O 3.53Å; I250-F262 VanDerWaalsContact CA-O 3.29Å; I250-F262 WeakPolarHBondContact CA-O 3.37Å; I250-F262 WeakPolarHBondContact CB-O 3.33Å; I250-I268 HydrophobicContact CG2-CD1 4.43Å; I250-F304 HydrophobicContact CD1-CD1 3.48Å; I250-F304 VanDerWaalsContact CD1-CD1 3.48Å; I250-F304 HydrophobicContact CD1-CE1 3.82Å; I250-F304 HydrophobicContact CD1-CG 4.46Å
251	N	95.5	Very high	92.8	Very high	31 Å²	31	45.8 Å²	45.8	17%	0.166	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.6	169.4	-69	-46.5	0	0	0	109.5	F239 F262 G264	F239-N251 HydrophobicContact CB-CB 3.85Å; F239-N251 HydrophobicContact CD1-CB 3.5Å; F239-N251 HydrophobicContact CD2-CB 4.33Å; F239-N251 HydrophobicContact CE1-CB 4.08Å; F239-N251 HydrophobicContact CG-CB 3.65Å; N251-F262 HydrophobicContact CB-CB 4.18Å; N251-F262 PolarHBondContact N-O 2.95Å; N251-F262 PolarHBondContact O-N 2.55Å; N251-G264 PolarHBondContact ND2-O 3.35Å
252	L	96.1	Very high	92.8	Very high	4 Å²	4	42 Å²	42	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.9	169.6	-55.8	178.6	0	0	0	109.4	H240 A242 I250 V261 F286 F304 M306 F315	H240-L252 PolarHBondContact N-O 3.16Å; H240-L252 PolarHBondContact O-N 3.36Å; A242-L252 HydrophobicContact CB-CD1 4Å; A242-L252 HydrophobicContact CB-CG 4.02Å; I250-L252 HydrophobicContact CD1-CD2 4.06Å; L252-V261 HydrophobicContact CD2-CB 4.45Å; L252-V261 HydrophobicContact CD2-CG1 4.26Å; L252-V261 HydrophobicContact CD2-CG2 3.84Å; L252-F286 HydrophobicContact CD1-CD1 4.42Å; L252-F304 HydrophobicContact CD1-CB 4Å; L252-F304 HydrophobicContact CD1-CD2 4.4Å; L252-F304 HydrophobicContact CD1-CG 4.23Å; L252-F304 HydrophobicContact CD2-CD1 4.39Å; L252-F304 HydrophobicContact CD2-CD2 4.44Å; L252-F304 HydrophobicContact CD2-CG 4.29Å; L252-M306 HydrophobicContact CD1-CE 4.48Å; L252-F315 HydrophobicContact CB-CE1 3.94Å; L252-F315 HydrophobicContact CB-CE2 3.88Å; L252-F315 HydrophobicContact CB-CZ 3.45Å; L252-F315 VanDerWaalsContact CB-CZ 3.45Å; L252-F315 HydrophobicContact CD1-CD1 4.24Å; L252-F315 HydrophobicContact CD1-CE1 3.69Å; L252-F315 HydrophobicContact CD1-CZ 4.12Å; L252-F315 HydrophobicContact CG-CE1 4.46Å; L252-F315 HydrophobicContact CG-CZ 4.41Å
253	T	95.2	Very high	92.7	Very high	2 Å²	2	46 Å²	46	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	164.4	171.4	-175.4	0	0	0	0	110.1	V237 R238 L259 Q260 F262	V237-T253 HydrophobicContact CG1-CG2 4.09Å; V237-T253 HydrophobicContact CG2-CG2 4.49Å; R238-T253 PolarHBondContact N-OG1 2.94Å; R238-T253 VanDerWaalsContact N-OG1 3.11Å; R238-T253 WeakPolarHBondContact O-CB 3.23Å; R238-T253 PolarHBondContact O-OG1 2.85Å; T253-L259 WeakPolarHBondContact O-CA 3.4Å; T253-Q260 HydrophobicContact CG2-CB 3.73Å; T253-Q260 PolarHBondContact N-O 3.23Å; T253-Q260 PolarHBondContact O-N 3.4Å; T253-F262 HydrophobicContact CG2-CD2 3.84Å; T253-F262 HydrophobicContact CG2-CE2 3.47Å; T253-F262 VanDerWaalsContact CG2-CE2 3.47Å; T253-F262 HydrophobicContact CG2-CZ 4.48Å
254	V	95.2	Very high	92.3	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.6	-178.2	-164.5	0	0	0	0	109.4	W273 F315 I318 C319 Y322	V254-W273 HydrophobicContact CG1-CH2 3.71Å; V254-W273 HydrophobicContact CG1-CZ2 3.59Å; V254-F315 HydrophobicContact CG2-CD2 4.21Å; V254-F315 HydrophobicContact CG2-CE2 3.45Å; V254-F315 VanDerWaalsContact CG2-CE2 3.45Å; V254-F315 HydrophobicContact CG2-CZ 3.86Å; V254-I318 HydrophobicContact CB-CG2 4.16Å; V254-I318 HydrophobicContact CG2-CG2 3.87Å; V254-C319 VanDerWaalsContact CG2-SG 3.58Å; V254-Y322 HydrophobicContact CB-CD1 4.32Å; V254-Y322 HydrophobicContact CB-CD2 4.4Å; V254-Y322 HydrophobicContact CB-CG 4.24Å; V254-Y322 HydrophobicContact CG1-CD1 3.8Å; V254-Y322 HydrophobicContact CG1-CD2 4.09Å; V254-Y322 HydrophobicContact CG1-CE1 4.46Å; V254-Y322 HydrophobicContact CG1-CG 3.56Å; V254-Y322 VanDerWaalsContact O-CE1 3.31Å; V254-Y322 WeakPolarHBondContact O-CE1 3.42Å
255	A	93.6	Very high	92.1	Very high	14 Å²	14	49.7 Å²	49.7	12%	0.116	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	168.1	-178.2	0	0	0	0	0	111.2	M257 G258 W273	A255-M257 HydrophobicContact CB-CG 4.19Å; A255-M257 PolarHBondContact O-N 3.08Å; A255-G258 PolarHBondContact N-O 3.28Å; A255-G258 PolarHBondContact O-N 3.24Å; A255-G258 VanDerWaalsContact O-N 3.16Å; A255-W273 PolarHBondContact O-NE1 3.08Å
256	H	91.1	Very high	92.2	Very high	51 Å²	51	47.3 Å²	47.3	24%	0.236	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-30.7	176.1	64.1	-93.7	0	0	0	113	W273 F326	H256-W273 PolarHBondContact O-NE1 2.94Å; H256-F326 HydrophobicContact CB-CD1 3.84Å; H256-F326 HydrophobicContact CB-CD2 3.92Å; H256-F326 HydrophobicContact CB-CE1 3.84Å; H256-F326 HydrophobicContact CB-CE2 3.9Å; H256-F326 HydrophobicContact CB-CG 3.88Å; H256-F326 HydrophobicContact CB-CZ 3.86Å
257	M	89.4	Confident	92.5	Very high	72 Å²	72	42.5 Å²	42.5	36%	0.355	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-23	-178.1	58	168.8	65.2	0	0	115.1	A255 T270 N272 W273	A255-M257 HydrophobicContact CB-CG 4.19Å; A255-M257 PolarHBondContact O-N 3.08Å; M257-T270 HydrophobicContact CG-CG2 4.41Å; M257-T270 HydrophobicContact SD-CG2 3.86Å; M257-N272 VanDerWaalsContact O-CA 3.27Å; M257-N272 WeakPolarHBondContact O-CA 3.1Å; M257-N272 PolarHBondContact O-OD1 2.6Å; M257-W273 VanDerWaalsContact O-CD1 3.3Å; M257-W273 PolarHBondContact O-N 3.47Å
258	G	93.5	Very high	92.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.5	-167.3	-172.8	0	0	0	0	0	114.3	A255 F271 W273	A255-G258 PolarHBondContact N-O 3.28Å; A255-G258 PolarHBondContact O-N 3.24Å; A255-G258 VanDerWaalsContact O-N 3.16Å; G258-F271 CarbonylContact C-O 3.58Å; G258-F271 VanDerWaalsContact CA-O 3.24Å; G258-F271 WeakPolarHBondContact CA-O 3.45Å; G258-W273 VanDerWaalsContact N-NE1 3.16Å
259	L	94.8	Very high	92.6	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.2	165.2	-81.8	69	0	0	0	109.3	T253 T270 F271 W273 I276 L279 F286 I288 F315 C319	T253-L259 WeakPolarHBondContact O-CA 3.4Å; L259-T270 CarbonylContact O-C 3.59Å; L259-T270 WeakPolarHBondContact O-CA 3.43Å; L259-F271 HydrophobicContact CB-CB 4.42Å; L259-F271 HydrophobicContact CB-CD2 4.39Å; L259-F271 PolarHBondContact N-O 3.26Å; L259-F271 PolarHBondContact O-N 3.08Å; L259-W273 HydrophobicContact CD1-CE3 4.27Å; L259-W273 HydrophobicContact CD1-CH2 3.36Å; L259-W273 HydrophobicContact CD1-CZ2 4.25Å; L259-W273 HydrophobicContact CD1-CZ3 3.38Å; L259-I276 HydrophobicContact CD1-CD1 4.01Å; L259-L279 HydrophobicContact CD1-CD1 4.16Å; L259-F286 HydrophobicContact CD2-CE1 3.49Å; L259-F286 VanDerWaalsContact CD2-CE1 3.49Å; L259-F286 HydrophobicContact CD2-CZ 3.77Å; L259-I288 HydrophobicContact CD2-CD1 3.81Å; L259-F315 HydrophobicContact CD2-CE1 3.81Å; L259-F315 HydrophobicContact CD2-CZ 3.92Å; L259-F315 HydrophobicContact CG-CZ 4.25Å; L259-C319 HydrophobicContact CD1-CB 4.2Å
260	Q	94.8	Very high	92.5	Very high	19 Å²	19	39.2 Å²	39.2	9%	0.089	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.9	175	-57.3	172.1	-22.7	0	0	109.9	T253 F262 K267 N269 T270	T253-Q260 HydrophobicContact CG2-CB 3.73Å; T253-Q260 PolarHBondContact N-O 3.23Å; T253-Q260 PolarHBondContact O-N 3.4Å; Q260-F262 HydrophobicContact CB-CD2 4.24Å; Q260-F262 HydrophobicContact CB-CE2 3.75Å; Q260-K267 HydrophobicContact CB-CD 4.15Å; Q260-K267 HydrophobicContact CB-CG 4.45Å; Q260-K267 HydrophobicContact CG-CD 4.14Å; Q260-N269 WeakPolarHBondContact CA-O 3.12Å; Q260-T270 HydrophobicContact CG-CG2 4.02Å
261	V	94.6	Very high	92.3	Very high	8 Å²	8	39.8 Å²	39.8	5%	0.048	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131	178.5	-173.3	0	0	0	0	108.8	I250 L252 K267 I268 N269 F271 F304	I250-V261 HydrophobicContact CB-CG1 4.19Å; I250-V261 HydrophobicContact CD1-CG1 3.89Å; I250-V261 HydrophobicContact CG2-CG1 4.32Å; L252-V261 HydrophobicContact CD2-CB 4.45Å; L252-V261 HydrophobicContact CD2-CG1 4.26Å; L252-V261 HydrophobicContact CD2-CG2 3.84Å; V261-K267 CarbonylContact O-C 3.59Å; V261-I268 PolarHBondContact O-N 2.86Å; V261-N269 HydrophobicContact CB-CB 4.26Å; V261-N269 HydrophobicContact CG2-CB 4.42Å; V261-N269 PolarHBondContact N-O 3.39Å; V261-N269 PolarHBondContact O-N 3.28Å; V261-F271 HydrophobicContact CG2-CD2 4.19Å; V261-F271 HydrophobicContact CG2-CE2 3.46Å; V261-F271 VanDerWaalsContact CG2-CE2 3.46Å; V261-F271 HydrophobicContact CG2-CZ 4.18Å; V261-F304 HydrophobicContact CG2-CZ 4.26Å
262	F	94.4	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.3	-178.7	-76.2	-110.2	0	0	0	110.8	E233 M234 V237 F239 I250 N251 T253 Q260 N265 T266 K267	E233-F262 HydrophobicContact CG-CE1 4.04Å; E233-F262 HydrophobicContact CG-CZ 4.25Å; M234-F262 HydrophobicContact SD-CE1 4.32Å; V237-F262 HydrophobicContact CG2-CZ 4.21Å; F239-F262 HydrophobicContact CE1-CB 3.8Å; F239-F262 AromaticContact CE1-CD1 3.73Å; F239-F262 HydrophobicContact CE1-CD1 3.73Å; F239-F262 AromaticContact CE1-CD2 3.91Å; F239-F262 HydrophobicContact CE1-CD2 3.91Å; F239-F262 HydrophobicContact CE1-CE1 4.2Å; F239-F262 HydrophobicContact CE1-CE2 4.38Å; F239-F262 AromaticContact CE1-CG 3.56Å; F239-F262 HydrophobicContact CE1-CG 3.56Å; F239-F262 HydrophobicContact CZ-CB 4.27Å; F239-F262 AromaticContact CZ-CD1 3.88Å; F239-F262 HydrophobicContact CZ-CD1 3.88Å; F239-F262 HydrophobicContact CZ-CE1 4.38Å; F239-F262 HydrophobicContact CZ-CG 4.13Å; I250-F262 CarbonylContact C-O 3.53Å; I250-F262 VanDerWaalsContact CA-O 3.29Å; I250-F262 WeakPolarHBondContact CA-O 3.37Å; I250-F262 WeakPolarHBondContact CB-O 3.33Å; N251-F262 HydrophobicContact CB-CB 4.18Å; N251-F262 PolarHBondContact N-O 2.95Å; N251-F262 PolarHBondContact O-N 2.55Å; T253-F262 HydrophobicContact CG2-CD2 3.84Å; T253-F262 HydrophobicContact CG2-CE2 3.47Å; T253-F262 VanDerWaalsContact CG2-CE2 3.47Å; T253-F262 HydrophobicContact CG2-CZ 4.48Å; Q260-F262 HydrophobicContact CB-CD2 4.24Å; Q260-F262 HydrophobicContact CB-CE2 3.75Å; F262-N265 WeakPolarHBondContact CD1-O 3.41Å; F262-T266 CarbonylContact C-O 3.59Å; F262-T266 VanDerWaalsContact CA-O 3.23Å; F262-T266 WeakPolarHBondContact CA-O 3.49Å; F262-K267 HydrophobicContact CD1-CB 4.03Å; F262-K267 HydrophobicContact CD2-CB 4.4Å; F262-K267 HydrophobicContact CD2-CG 4.24Å; F262-K267 HydrophobicContact CE1-CB 3.72Å; F262-K267 HydrophobicContact CE1-CG 4.38Å; F262-K267 HydrophobicContact CE2-CB 4.09Å; F262-K267 HydrophobicContact CE2-CD 4.07Å; F262-K267 HydrophobicContact CE2-CG 3.85Å; F262-K267 HydrophobicContact CG-CB 4.37Å; F262-K267 HydrophobicContact CZ-CB 3.75Å; F262-K267 HydrophobicContact CZ-CD 4.03Å; F262-K267 HydrophobicContact CZ-CG 3.94Å
263	Q	91.9	Very high	92	Very high	95 Å²	95	41.5 Å²	41.5	44%	0.444	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.9	167.6	170.8	-179	55.1	0	0	107.8	N265 T266 I268	Q263-N265 PolarHBondContact O-N 2.86Å; Q263-T266 PolarHBondContact N-O 3.23Å; Q263-T266 PolarHBondContact O-N 3.38Å; Q263-T266 VanDerWaalsContact O-N 3.11Å; Q263-I268 HydrophobicContact CB-CD1 3.55Å; Q263-I268 HydrophobicContact CB-CG1 4.04Å
264	G	87.9	Confident	91.6	Very high	45 Å²	45	45.1 Å²	45.1	46%	0.464	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-121.3	-156.1	0	0	0	0	0	109.7	N251	N251-G264 PolarHBondContact ND2-O 3.35Å
265	N	86.6	Confident	91.1	Very high	88 Å²	88	49.7 Å²	49.7	47%	0.471	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	0.7	178.4	-57.6	-31.4	0	0	0	113.6	I160 F262 Q263	I160-N265 HydrophobicContact CD1-CB 4.05Å; I160-N265 VanDerWaalsContact CD1-CG 3.46Å; I160-N265 VanDerWaalsContact CD1-ND2 3.27Å; I160-N265 WeakPolarHBondContact CD1-ND2 3.39Å; F262-N265 WeakPolarHBondContact CD1-O 3.41Å; Q263-N265 PolarHBondContact O-N 2.86Å
266	T	86.4	Confident	90.9	Very high	88 Å²	88	49.5 Å²	49.5	54%	0.54	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.1	-178.3	-53.7	0	0	0	0	111	F262 Q263 I268	F262-T266 CarbonylContact C-O 3.59Å; F262-T266 VanDerWaalsContact CA-O 3.23Å; F262-T266 WeakPolarHBondContact CA-O 3.49Å; Q263-T266 PolarHBondContact N-O 3.23Å; Q263-T266 PolarHBondContact O-N 3.38Å; Q263-T266 VanDerWaalsContact O-N 3.11Å; T266-I268 PolarHBondContact O-N 2.96Å
267	K	92.2	Very high	90.6	Very high	75 Å²	75	53.1 Å²	53.1	33%	0.326	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.6	176.7	-167.9	172.5	66	-92.9	0	111	E233 Q260 V261 F262	E233-K267 WeakPolarHBondContact OE1-CB 3.47Å; E233-K267 IonicContact OE1-NZ 2.74Å; E233-K267 PolarHBondContact OE1-NZ 3.21Å; Q260-K267 HydrophobicContact CB-CD 4.15Å; Q260-K267 HydrophobicContact CB-CG 4.45Å; Q260-K267 HydrophobicContact CG-CD 4.14Å; V261-K267 CarbonylContact O-C 3.59Å; F262-K267 HydrophobicContact CD1-CB 4.03Å; F262-K267 HydrophobicContact CD2-CB 4.4Å; F262-K267 HydrophobicContact CD2-CG 4.24Å; F262-K267 HydrophobicContact CE1-CB 3.72Å; F262-K267 HydrophobicContact CE1-CG 4.38Å; F262-K267 HydrophobicContact CE2-CB 4.09Å; F262-K267 HydrophobicContact CE2-CD 4.07Å; F262-K267 HydrophobicContact CE2-CG 3.85Å; F262-K267 HydrophobicContact CG-CB 4.37Å; F262-K267 HydrophobicContact CZ-CB 3.75Å; F262-K267 HydrophobicContact CZ-CD 4.03Å; F262-K267 HydrophobicContact CZ-CG 3.94Å
268	I	90.6	Very high	90.6	Very high	100 Å²	100	54.8 Å²	54.8	51%	0.513	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-48.7	173.8	-53	174.4	0	0	0	110.7	I250 V261 Q263 T266	I250-I268 HydrophobicContact CG2-CD1 4.43Å; V261-I268 PolarHBondContact O-N 2.86Å; Q263-I268 HydrophobicContact CB-CD1 3.55Å; Q263-I268 HydrophobicContact CB-CG1 4.04Å; T266-I268 PolarHBondContact O-N 2.96Å
269	N	90.3	Very high	90.5	Very high	76 Å²	76	55.7 Å²	55.7	41%	0.406	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	160.3	-164.6	-156.6	-20.2	0	0	0	112.2	Q260 V261 F271	Q260-N269 WeakPolarHBondContact CA-O 3.12Å; V261-N269 HydrophobicContact CB-CB 4.26Å; V261-N269 HydrophobicContact CG2-CB 4.42Å; V261-N269 PolarHBondContact N-O 3.39Å; V261-N269 PolarHBondContact O-N 3.28Å; N269-F271 HydrophobicContact CB-CZ 4.49Å
270	T	92.4	Very high	90.3	Very high	41 Å²	41	57.6 Å²	57.6	25%	0.252	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	107.5	176.7	-62.2	0	0	0	0	110.9	M257 L259 Q260 N272	M257-T270 HydrophobicContact CG-CG2 4.41Å; M257-T270 HydrophobicContact SD-CG2 3.86Å; L259-T270 CarbonylContact O-C 3.59Å; L259-T270 WeakPolarHBondContact O-CA 3.43Å; Q260-T270 HydrophobicContact CG-CG2 4.02Å; T270-N272 PolarHBondContact O-N 3.41Å
271	F	92.2	Very high	90.2	Very high	19 Å²	19	59 Å²	59	8%	0.083	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	89.8	172.5	-52.1	-58.8	0	0	0	109.1	G258 L259 V261 N269 I276 I288 L302 F304	G258-F271 CarbonylContact C-O 3.58Å; G258-F271 VanDerWaalsContact CA-O 3.24Å; G258-F271 WeakPolarHBondContact CA-O 3.45Å; L259-F271 HydrophobicContact CB-CB 4.42Å; L259-F271 HydrophobicContact CB-CD2 4.39Å; L259-F271 PolarHBondContact N-O 3.26Å; L259-F271 PolarHBondContact O-N 3.08Å; V261-F271 HydrophobicContact CG2-CD2 4.19Å; V261-F271 HydrophobicContact CG2-CE2 3.46Å; V261-F271 VanDerWaalsContact CG2-CE2 3.46Å; V261-F271 HydrophobicContact CG2-CZ 4.18Å; N269-F271 HydrophobicContact CB-CZ 4.49Å; F271-I276 HydrophobicContact CB-CD1 3.91Å; F271-I276 HydrophobicContact CB-CG1 4.16Å; F271-I276 WeakPolarHBondContact O-CD1 3.46Å; F271-I288 HydrophobicContact CD2-CD1 3.52Å; F271-I288 HydrophobicContact CE2-CD1 3.96Å; F271-I288 HydrophobicContact CG-CD1 4.16Å; F271-L302 HydrophobicContact CD1-CD1 4.02Å; F271-L302 HydrophobicContact CE1-CD1 3.3Å; F271-L302 HydrophobicContact CE2-CD1 4.13Å; F271-L302 HydrophobicContact CZ-CD1 3.37Å; F271-F304 AromaticContact CE2-CE2 3.87Å; F271-F304 HydrophobicContact CE2-CE2 3.87Å; F271-F304 AromaticContact CE2-CZ 3.71Å; F271-F304 HydrophobicContact CE2-CZ 3.71Å; F271-F304 HydrophobicContact CZ-CE2 4.44Å; F271-F304 AromaticContact CZ-CZ 4Å; F271-F304 HydrophobicContact CZ-CZ 4Å
272	N	91.1	Very high	89.9	Confident	61 Å²	61	65.7 Å²	65.7	33%	0.326	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	141.5	177.4	-170.9	-62.9	0	0	0	111.1	M257 T270 S274 K275 I276	M257-N272 VanDerWaalsContact O-CA 3.27Å; M257-N272 WeakPolarHBondContact O-CA 3.1Å; M257-N272 PolarHBondContact O-OD1 2.6Å; T270-N272 PolarHBondContact O-N 3.41Å; N272-S274 PolarHBondContact O-N 3.01Å; N272-S274 PolarHBondContact OD1-N 3.12Å; N272-S274 PolarHBondContact OD1-OG 3.17Å; N272-K275 PolarHBondContact O-N 2.62Å; N272-I276 PolarHBondContact O-N 3.23Å
273	W	93.1	Very high	89.7	Confident	10 Å²	10	75.9 Å²	75.9	4%	0.038	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-31.2	178	-64.9	124.8	0	0	0	114.2	V254 A255 H256 M257 G258 L259 K275 I276 L279 C319 H323 R327	V254-W273 HydrophobicContact CG1-CH2 3.71Å; V254-W273 HydrophobicContact CG1-CZ2 3.59Å; A255-W273 PolarHBondContact O-NE1 3.08Å; H256-W273 PolarHBondContact O-NE1 2.94Å; M257-W273 VanDerWaalsContact O-CD1 3.3Å; M257-W273 PolarHBondContact O-N 3.47Å; G258-W273 VanDerWaalsContact N-NE1 3.16Å; L259-W273 HydrophobicContact CD1-CE3 4.27Å; L259-W273 HydrophobicContact CD1-CH2 3.36Å; L259-W273 HydrophobicContact CD1-CZ2 4.25Å; L259-W273 HydrophobicContact CD1-CZ3 3.38Å; W273-K275 VanDerWaalsContact C-N 3.33Å; W273-K275 PolarHBondContact O-N 2.86Å; W273-I276 HydrophobicContact CE3-CD1 4.11Å; W273-I276 HydrophobicContact CZ3-CD1 4.37Å; W273-L279 HydrophobicContact CZ3-CD1 4.07Å; W273-C319 HydrophobicContact CH2-CB 4.14Å; W273-C319 VanDerWaalsContact CH2-O 3.3Å; W273-C319 WeakPolarHBondContact CH2-O 3.32Å; W273-C319 HydrophobicContact CZ3-CB 4.5Å; W273-H323 HydrophobicContact CD2-CB 4.27Å; W273-H323 HydrophobicContact CE3-CB 4Å; W273-H323 AromaticContact CE3-CD2 3.8Å; W273-H323 HydrophobicContact CH2-CB 4.12Å; W273-H323 HydrophobicContact CZ2-CB 4.39Å; W273-H323 HydrophobicContact CZ3-CB 3.91Å; W273-R327 HydrophobicContact CB-CG 3.97Å; W273-R327 HydrophobicContact CG-CG 3.82Å
274	S	87.3	Confident	89.8	Confident	77 Å²	77	76 Å²	76	54%	0.538	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.4	176.8	63.5	0	0	0	0	114.2	N272	N272-S274 PolarHBondContact O-N 3.01Å; N272-S274 PolarHBondContact OD1-N 3.12Å; N272-S274 PolarHBondContact OD1-OG 3.17Å
275	K	85.8	Confident	90	Very high	102 Å²	102	79.5 Å²	79.5	44%	0.443	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.8	-179.8	-65	-176.3	173.1	-172.1	0	112.8	N272 W273 L290 H291 V294	N272-K275 PolarHBondContact O-N 2.62Å; W273-K275 VanDerWaalsContact C-N 3.33Å; W273-K275 PolarHBondContact O-N 2.86Å; K275-L290 CarbonylContact O-C 3.59Å; K275-L290 VanDerWaalsContact O-CA 3.32Å; K275-L290 WeakPolarHBondContact O-CA 3.27Å; K275-L290 WeakPolarHBondContact O-CD2 3.41Å; K275-H291 PolarHBondContact O-N 3.31Å; K275-V294 HydrophobicContact CB-CG2 4.27Å; K275-V294 HydrophobicContact CD-CG1 4Å; K275-V294 HydrophobicContact CG-CG1 4.45Å; K275-V294 HydrophobicContact CG-CG2 4.14Å
276	I	89.1	Confident	90.5	Very high	9 Å²	9	75.3 Å²	75.3	5%	0.046	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109.1	-175.6	-62.6	172.5	0	0	0	110.1	L259 F271 N272 W273 L279 I288 L290	L259-I276 HydrophobicContact CD1-CD1 4.01Å; F271-I276 HydrophobicContact CB-CD1 3.91Å; F271-I276 HydrophobicContact CB-CG1 4.16Å; F271-I276 WeakPolarHBondContact O-CD1 3.46Å; N272-I276 PolarHBondContact O-N 3.23Å; W273-I276 HydrophobicContact CE3-CD1 4.11Å; W273-I276 HydrophobicContact CZ3-CD1 4.37Å; I276-L279 HydrophobicContact CD1-CD2 4.45Å; I276-L279 HydrophobicContact CG2-CD2 3.62Å; I276-L279 HydrophobicContact CG2-CG 3.77Å; I276-I288 HydrophobicContact CD1-CG2 4.37Å; I276-I288 HydrophobicContact CG1-CG2 3.92Å; I276-I288 HydrophobicContact CG2-CG2 4.07Å; I276-L290 HydrophobicContact CG1-CD2 4.38Å
277	R	84.8	Confident	90.8	Very high	127 Å²	127	72.5 Å²	72.5	48%	0.479	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-40.7	175.9	-174.5	176.1	175.4	179.6	1.8	112.1	K289 L290	R277-K289 HydrophobicContact CB-CG 4.39Å; R277-K289 WeakPolarHBondContact CB-O 3.48Å; R277-K289 PolarHBondContact N-O 2.84Å; R277-L290 VanDerWaalsContact CB-O 3.23Å; R277-L290 WeakPolarHBondContact CB-O 3.39Å
278	K	88.6	Confident	90.9	Very high	107 Å²	107	69 Å²	69	47%	0.465	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	136.3	-178.1	-172.8	170.8	-176.6	169.6	0	112.1	K289	K278-K289 HydrophobicContact CB-CB 4.28Å; K278-K289 PolarHBondContact N-O 2.72Å; K278-K289 VanDerWaalsContact N-O 3.11Å; K278-K289 PolarHBondContact O-N 2.91Å
279	L	92.3	Very high	90.8	Very high	20 Å²	20	67 Å²	67	11%	0.105	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.1	167.2	-64.5	-176.8	0	0	0	110.8	L259 W273 I276 F286 I288 W316 C319	L259-L279 HydrophobicContact CD1-CD1 4.16Å; W273-L279 HydrophobicContact CZ3-CD1 4.07Å; I276-L279 HydrophobicContact CD1-CD2 4.45Å; I276-L279 HydrophobicContact CG2-CD2 3.62Å; I276-L279 HydrophobicContact CG2-CG 3.77Å; L279-F286 HydrophobicContact CB-CZ 4.49Å; L279-F286 HydrophobicContact CD1-CZ 4.23Å; L279-F286 HydrophobicContact CD2-CE1 4.2Å; L279-F286 HydrophobicContact CD2-CZ 3.86Å; L279-F286 HydrophobicContact CG-CZ 4.43Å; L279-I288 HydrophobicContact CD2-CB 4.15Å; L279-I288 HydrophobicContact CD2-CG1 3.81Å; L279-I288 HydrophobicContact CD2-CG2 3.95Å; L279-W316 PolarHBondContact O-NE1 3.2Å; L279-W316 VanDerWaalsContact O-NE1 3.13Å; L279-C319 HydrophobicContact CD1-CB 3.4Å; L279-C319 VanDerWaalsContact CD1-CB 3.4Å
280	S	90.3	Very high	90.6	Very high	42 Å²	42	63.6 Å²	63.6	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	171.5	177.8	59.1	0	0	0	0	111.5	L287	S280-L287 PolarHBondContact N-O 2.97Å; S280-L287 PolarHBondContact O-N 2.84Å
281	F	91.6	Very high	90	Very high	49 Å²	49	64.9 Å²	64.9	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150.9	174.1	69.2	-79.6	0	0	0	111.8	R285 C312 K313 W316	F281-R285 CarbonylContact C-O 3.55Å; F281-R285 WeakPolarHBondContact CA-O 3.42Å; F281-R285 WeakPolarHBondContact CB-O 3.35Å; F281-C312 VanDerWaalsContact CB-SG 3.56Å; F281-K313 HydrophobicContact CD2-CB 4.44Å; F281-K313 HydrophobicContact CE1-CB 4.35Å; F281-K313 HydrophobicContact CE1-CG 4.14Å; F281-K313 HydrophobicContact CE2-CB 3.74Å; F281-K313 HydrophobicContact CE2-CD 4.45Å; F281-K313 HydrophobicContact CE2-CG 4.12Å; F281-K313 HydrophobicContact CZ-CB 3.7Å; F281-K313 HydrophobicContact CZ-CD 3.94Å; F281-K313 HydrophobicContact CZ-CG 3.57Å; F281-W316 HydrophobicContact CD1-CB 3.84Å; F281-W316 AromaticContact CD1-CD2 3.91Å; F281-W316 HydrophobicContact CD1-CD2 3.91Å; F281-W316 HydrophobicContact CD1-CE3 4.42Å; F281-W316 AromaticContact CD1-CG 3.62Å; F281-W316 HydrophobicContact CD1-CG 3.62Å; F281-W316 HydrophobicContact CE1-CB 4.36Å; F281-W316 AromaticContact CE1-CD2 3.86Å; F281-W316 HydrophobicContact CE1-CD2 3.86Å; F281-W316 AromaticContact CE1-CE3 3.93Å; F281-W316 HydrophobicContact CE1-CE3 3.93Å; F281-W316 HydrophobicContact CE1-CG 4.05Å
282	K	88.5	Confident	88.7	Confident	149 Å²	149	67.1 Å²	67.1	65%	0.648	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	114.1	179.9	-173.5	176.7	179.3	-179.2	0	109.8	K284 R285 L287	K282-K284 PolarHBondContact O-N 2.72Å; K282-K284 VanDerWaalsContact O-N 3.17Å; K282-R285 PolarHBondContact N-O 3.02Å; K282-R285 WeakPolarHBondContact O-CB 3.28Å; K282-R285 PolarHBondContact O-N 2.84Å; K282-L287 HydrophobicContact CB-CD1 4.32Å
283	R	90.3	Very high	87.2	Confident	214 Å²	214	71 Å²	71	81%	0.808	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	-116.9	-168.2	-61	177.6	175.3	164.9	-3.5	109.6	R309	R283-R309 WeakPolarHBondContact O-CA 3.47Å; R283-R309 WeakPolarHBondContact O-CB 3.31Å; R283-R309 WeakPolarHBondContact O-CG 3.47Å
284	K	94	Very high	85.4	Confident	98 Å²	98	72.6 Å²	72.6	43%	0.426	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	5.4	177	66.3	165.2	173.8	164.9	0	115	K282 M305 M306	K282-K284 PolarHBondContact O-N 2.72Å; K282-K284 VanDerWaalsContact O-N 3.17Å; K284-M305 HydrophobicContact CD-CG 3.79Å; K284-M305 HydrophobicContact CD-SD 4.03Å; K284-M305 WeakPolarHBondContact CE-SD 3.43Å; K284-M305 HydrophobicContact CG-CG 4.04Å; K284-M305 PolarHBondContact NZ-SD 3.47Å; K284-M306 WeakPolarHBondContact CB-O 3.34Å; K284-M306 WeakPolarHBondContact CD-O 3.35Å; K284-M306 PolarHBondContact O-N 3.21Å
285	R	93.6	Very high	83.4	Confident	118 Å²	118	74.8 Å²	74.8	45%	0.445	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.4	-179.5	-63.7	167.4	168.2	-135.6	0.1	110	F281 K282 E303 F304 C312	F281-R285 CarbonylContact C-O 3.55Å; F281-R285 WeakPolarHBondContact CA-O 3.42Å; F281-R285 WeakPolarHBondContact CB-O 3.35Å; K282-R285 PolarHBondContact N-O 3.02Å; K282-R285 WeakPolarHBondContact O-CB 3.28Å; K282-R285 PolarHBondContact O-N 2.84Å; R285-E303 HydrophobicContact CB-CG 4.04Å; R285-E303 VanDerWaalsContact CD-CD 3.44Å; R285-E303 WeakPolarHBondContact CD-OE1 3.45Å; R285-E303 WeakPolarHBondContact CD-OE2 3.26Å; R285-E303 HydrophobicContact CG-CG 4.2Å; R285-E303 VanDerWaalsContact CG-OE1 3.29Å; R285-E303 WeakPolarHBondContact CG-OE1 3.46Å; R285-E303 IonicContact CZ-OE1 3.15Å; R285-E303 IonicContact CZ-OE2 2.96Å; R285-E303 IonicContact NE-OE1 3.42Å; R285-E303 PolarHBondContact NE-OE1 3.29Å; R285-E303 IonicContact NE-OE2 3.51Å; R285-E303 IonicContact NH1-OE1 2.74Å; R285-E303 PolarHBondContact NH1-OE1 2.92Å; R285-E303 IonicContact NH1-OE2 3.12Å; R285-E303 PolarHBondContact NH1-OE2 3.35Å; R285-E303 IonicContact NH2-OE1 2.86Å; R285-F304 CarbonylContact C-O 3.49Å; R285-F304 WeakPolarHBondContact CA-O 3.39Å; R285-C312 VanDerWaalsContact C-SG 3.58Å
286	F	96.1	Very high	81.7	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.8	167.6	-174.3	-105	0	0	0	109.1	L252 L259 L279 I288 E303 F304 M306 C312 F315 W316	L252-F286 HydrophobicContact CD1-CD1 4.42Å; L259-F286 HydrophobicContact CD2-CE1 3.49Å; L259-F286 VanDerWaalsContact CD2-CE1 3.49Å; L259-F286 HydrophobicContact CD2-CZ 3.77Å; L279-F286 HydrophobicContact CB-CZ 4.49Å; L279-F286 HydrophobicContact CD1-CZ 4.23Å; L279-F286 HydrophobicContact CD2-CE1 4.2Å; L279-F286 HydrophobicContact CD2-CZ 3.86Å; L279-F286 HydrophobicContact CG-CZ 4.43Å; F286-I288 HydrophobicContact CD1-CG1 4.1Å; F286-I288 HydrophobicContact CE1-CD1 4.02Å; F286-I288 HydrophobicContact CE1-CG1 3.6Å; F286-E303 WeakPolarHBondContact O-CA 3.23Å; F286-F304 HydrophobicContact CD1-CD2 4.33Å; F286-F304 PolarHBondContact N-O 3.21Å; F286-F304 PolarHBondContact O-N 3.12Å; F286-M306 HydrophobicContact CB-CG 4.49Å; F286-M306 HydrophobicContact CB-SD 4.27Å; F286-C312 PolarHBondContact N-SG 2.64Å; F286-F315 HydrophobicContact CD1-CD1 4.22Å; F286-F315 HydrophobicContact CD1-CE1 4.01Å; F286-F315 AromaticContact CD2-CD1 3.94Å; F286-F315 HydrophobicContact CD2-CD1 3.94Å; F286-F315 HydrophobicContact CD2-CE1 4.46Å; F286-F315 HydrophobicContact CE1-CD1 4.12Å; F286-F315 AromaticContact CE1-CE1 3.67Å; F286-F315 HydrophobicContact CE1-CE1 3.67Å; F286-F315 AromaticContact CE2-CD1 3.83Å; F286-F315 HydrophobicContact CE2-CD1 3.83Å; F286-F315 HydrophobicContact CE2-CE1 4.15Å; F286-F315 HydrophobicContact CG-CD1 4.13Å; F286-F315 HydrophobicContact CG-CE1 4.39Å; F286-F315 AromaticContact CZ-CD1 3.92Å; F286-F315 HydrophobicContact CZ-CD1 3.92Å; F286-F315 AromaticContact CZ-CE1 3.74Å; F286-F315 HydrophobicContact CZ-CE1 3.74Å; F286-W316 HydrophobicContact CD2-CB 4.25Å; F286-W316 HydrophobicContact CE2-CB 3.86Å; F286-W316 HydrophobicContact CE2-CG 4.41Å
287	L	93.8	Very high	79.4	Confident	29 Å²	29	77.9 Å²	77.9	15%	0.152	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.3	-168.7	-64.2	171.9	0	0	0	110.6	S280 K282 I301 L302 E303	S280-L287 PolarHBondContact N-O 2.97Å; S280-L287 PolarHBondContact O-N 2.84Å; K282-L287 HydrophobicContact CB-CD1 4.32Å; L287-I301 HydrophobicContact CD2-CG2 4.29Å; L287-L302 WeakPolarHBondContact CA-O 3.19Å; L287-E303 HydrophobicContact CD2-CB 3.74Å; L287-E303 HydrophobicContact CD2-CG 3.69Å
288	I	93.1	Very high	77.5	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.3	173.1	-49.6	-175.4	0	0	0	107.6	L259 F271 I276 L279 F286 L290 I301 L302 F304	L259-I288 HydrophobicContact CD2-CD1 3.81Å; F271-I288 HydrophobicContact CD2-CD1 3.52Å; F271-I288 HydrophobicContact CE2-CD1 3.96Å; F271-I288 HydrophobicContact CG-CD1 4.16Å; I276-I288 HydrophobicContact CD1-CG2 4.37Å; I276-I288 HydrophobicContact CG1-CG2 3.92Å; I276-I288 HydrophobicContact CG2-CG2 4.07Å; L279-I288 HydrophobicContact CD2-CB 4.15Å; L279-I288 HydrophobicContact CD2-CG1 3.81Å; L279-I288 HydrophobicContact CD2-CG2 3.95Å; F286-I288 HydrophobicContact CD1-CG1 4.1Å; F286-I288 HydrophobicContact CE1-CD1 4.02Å; F286-I288 HydrophobicContact CE1-CG1 3.6Å; I288-L290 HydrophobicContact CG2-CD2 3.91Å; I288-I301 WeakPolarHBondContact O-CA 3.47Å; I288-L302 HydrophobicContact CB-CB 4.38Å; I288-L302 PolarHBondContact N-O 2.95Å; I288-L302 PolarHBondContact O-N 2.81Å; I288-F304 HydrophobicContact CD1-CD2 4.37Å; I288-F304 HydrophobicContact CD1-CE2 3.84Å; I288-F304 HydrophobicContact CG1-CE2 4.33Å
289	K	89.3	Confident	75.9	Confident	58 Å²	58	80.3 Å²	80.3	25%	0.252	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.7	164.8	179	150.7	-170.5	157.3	0	108.9	R277 K278 D300 I301	R277-K289 HydrophobicContact CB-CG 4.39Å; R277-K289 WeakPolarHBondContact CB-O 3.48Å; R277-K289 PolarHBondContact N-O 2.84Å; K278-K289 HydrophobicContact CB-CB 4.28Å; K278-K289 PolarHBondContact N-O 2.72Å; K278-K289 VanDerWaalsContact N-O 3.11Å; K278-K289 PolarHBondContact O-N 2.91Å; K289-D300 WeakPolarHBondContact CE-OD2 3.2Å; K289-D300 WeakPolarHBondContact CG-O 3.47Å; K289-D300 IonicContact NZ-OD2 2.83Å; K289-D300 PolarHBondContact NZ-OD2 2.92Å; K289-I301 HydrophobicContact CB-CG1 4.12Å; K289-I301 HydrophobicContact CD-CD1 4.31Å; K289-I301 HydrophobicContact CD-CG1 3.98Å; K289-I301 HydrophobicContact CG-CG1 4.13Å
290	L	86.1	Confident	74.8	Confident	6 Å²	6	82.2 Å²	82.2	3%	0.031	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	173.5	177.8	-62.2	178	0	0	0	111	K275 I276 R277 I288 D300 L302	K275-L290 CarbonylContact O-C 3.59Å; K275-L290 VanDerWaalsContact O-CA 3.32Å; K275-L290 WeakPolarHBondContact O-CA 3.27Å; K275-L290 WeakPolarHBondContact O-CD2 3.41Å; I276-L290 HydrophobicContact CG1-CD2 4.38Å; R277-L290 VanDerWaalsContact CB-O 3.23Å; R277-L290 WeakPolarHBondContact CB-O 3.39Å; I288-L290 HydrophobicContact CG2-CD2 3.91Å; L290-D300 PolarHBondContact N-O 3.25Å; L290-D300 VanDerWaalsContact N-O 3.09Å; L290-L302 HydrophobicContact CD1-CD1 4.16Å; L290-L302 HydrophobicContact CD1-CG 4.44Å
291	H	79.7	Confident	74.6	Confident	68 Å²	68	83.6 Å²	83.6	32%	0.315	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-77.5	135.1	164.7	-86.8	-102	0	0	0	110.1	K275 E293 V294	K275-H291 PolarHBondContact O-N 3.31Å; H291-E293 PolarHBondContact O-N 3.1Å; H291-E293 VanDerWaalsContact O-N 3.14Å; H291-V294 HydrophobicContact CB-CG2 4.12Å; H291-V294 WeakPolarHBondContact O-CB 3.41Å; H291-V294 WeakPolarHBondContact O-CG2 3.39Å; H291-V294 PolarHBondContact O-N 2.84Å; H291-V294 VanDerWaalsContact O-N 3.08Å
292	P	64.6	Low	74.5	Confident	66 Å²	66	82.4 Å²	82.4	43%	0.429	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-58.7	-25.6	179.7	-26.5	35.2	0	0	0	114.3	V294 H295	P292-V294 PolarHBondContact O-N 2.93Å; P292-H295 VanDerWaalsContact O-O 3.05Å
293	E	60.5	Low	74.7	Confident	141 Å²	141	77 Å²	77	66%	0.659	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-62.6	-5.6	175	-67.4	158	-101.1	0	0	114.3	H291 S1017	H291-E293 PolarHBondContact O-N 3.1Å; H291-E293 VanDerWaalsContact O-N 3.14Å; E293-S1017 PolarHBondContact OE2-OG 2.79Å; E293-S1017 VanDerWaalsContact OE2-OG 3.07Å
294	V	53.4	Low	74.9	Confident	45 Å²	45	67.6 Å²	67.6	27%	0.273	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-100.7	-26.1	-172.8	-176.1	0	0	0	0	113.5	K275 H291 P292	K275-V294 HydrophobicContact CB-CG2 4.27Å; K275-V294 HydrophobicContact CD-CG1 4Å; K275-V294 HydrophobicContact CG-CG1 4.45Å; K275-V294 HydrophobicContact CG-CG2 4.14Å; H291-V294 HydrophobicContact CB-CG2 4.12Å; H291-V294 WeakPolarHBondContact O-CB 3.41Å; H291-V294 WeakPolarHBondContact O-CG2 3.39Å; H291-V294 PolarHBondContact O-N 2.84Å; H291-V294 VanDerWaalsContact O-N 3.08Å; P292-V294 PolarHBondContact O-N 2.93Å
295	H	46.4	Very low	75	Confident	122 Å²	122	66 Å²	66	57%	0.565	34%	0.341	S	S	*	.	S	Bend	trans	-147.5	156.5	-179.2	-71.7	-60.2	0	0	0	111.8	P292	P292-H295 VanDerWaalsContact O-O 3.05Å
296	G	49.1	Very low	75	Confident	53 Å²	53	60.6 Å²	60.6	55%	0.546	32%	0.321	S	S	.	.			trans	-63.8	175.9	173.7	0	0	0	0	0	114.1	H298	G296-H298 PolarHBondContact O-N 3.09Å
297	P	42.5	Very low	74.7	Confident	124 Å²	124	64.3 Å²	64.3	81%	0.805	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	5.9	-155.5	-27.7	36.6	0	0	0	119.9
298	H	44.5	Very low	74.6	Confident	173 Å²	173	65 Å²	65	80%	0.801	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	-5	-162.2	-60.9	-35	0	0	0	116.9	G296	G296-H298 PolarHBondContact O-N 3.09Å
299	Q	54.2	Low	74.4	Confident	111 Å²	111	71.6 Å²	71.6	52%	0.519	38%	0.384	S	S	.	.			trans	-134.7	56.4	175.1	-67.7	-156.3	13.9	0	0	114.6	I301	Q299-I301 PolarHBondContact O-N 3.17Å
300	D	70.1	Confident	74.3	Confident	60 Å²	60	72.6 Å²	72.6	32%	0.321	39%	0.392	S	S	.	.	S	Bend	trans	-67.4	-20.5	179	-148.3	31.2	0	0	0	113.7	K289 L290	K289-D300 WeakPolarHBondContact CE-OD2 3.2Å; K289-D300 WeakPolarHBondContact CG-O 3.47Å; K289-D300 IonicContact NZ-OD2 2.83Å; K289-D300 PolarHBondContact NZ-OD2 2.92Å; L290-D300 PolarHBondContact N-O 3.25Å; L290-D300 VanDerWaalsContact N-O 3.09Å
301	I	85.6	Confident	74.4	Confident	71 Å²	71	75.8 Å²	75.8	36%	0.364	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.8	-177.7	-58.3	173.3	0	0	0	110.1	R245 L287 I288 K289 Q299	R245-I301 PolarHBondContact NH1-O 3.28Å; R245-I301 PolarHBondContact NH2-O 3.21Å; L287-I301 HydrophobicContact CD2-CG2 4.29Å; I288-I301 WeakPolarHBondContact O-CA 3.47Å; K289-I301 HydrophobicContact CB-CG1 4.12Å; K289-I301 HydrophobicContact CD-CD1 4.31Å; K289-I301 HydrophobicContact CD-CG1 3.98Å; K289-I301 HydrophobicContact CG-CG1 4.13Å; Q299-I301 PolarHBondContact O-N 3.17Å
302	L	89.4	Confident	75	Confident	25 Å²	25	72.5 Å²	72.5	13%	0.131	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.3	169.3	-54.3	177.2	0	0	0	110.3	F271 L287 I288 L290 F304	F271-L302 HydrophobicContact CD1-CD1 4.02Å; F271-L302 HydrophobicContact CE1-CD1 3.3Å; F271-L302 HydrophobicContact CE2-CD1 4.13Å; F271-L302 HydrophobicContact CZ-CD1 3.37Å; L287-L302 WeakPolarHBondContact CA-O 3.19Å; I288-L302 HydrophobicContact CB-CB 4.38Å; I288-L302 PolarHBondContact N-O 2.95Å; I288-L302 PolarHBondContact O-N 2.81Å; L290-L302 HydrophobicContact CD1-CD1 4.16Å; L290-L302 HydrophobicContact CD1-CG 4.44Å; L302-F304 HydrophobicContact CB-CE2 4.19Å
303	E	92.9	Very high	76.3	Confident	35 Å²	35	72.2 Å²	72.2	16%	0.164	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.7	177.4	-177.6	175.2	124.6	0	0	110.9	R245 R285 F286 L287	R245-E303 HydrophobicContact CG-CB 4.41Å; R285-E303 HydrophobicContact CB-CG 4.04Å; R285-E303 VanDerWaalsContact CD-CD 3.44Å; R285-E303 WeakPolarHBondContact CD-OE1 3.45Å; R285-E303 WeakPolarHBondContact CD-OE2 3.26Å; R285-E303 HydrophobicContact CG-CG 4.2Å; R285-E303 VanDerWaalsContact CG-OE1 3.29Å; R285-E303 WeakPolarHBondContact CG-OE1 3.46Å; R285-E303 IonicContact CZ-OE1 3.15Å; R285-E303 IonicContact CZ-OE2 2.96Å; R285-E303 IonicContact NE-OE1 3.42Å; R285-E303 PolarHBondContact NE-OE1 3.29Å; R285-E303 IonicContact NE-OE2 3.51Å; R285-E303 IonicContact NH1-OE1 2.74Å; R285-E303 PolarHBondContact NH1-OE1 2.92Å; R285-E303 IonicContact NH1-OE2 3.12Å; R285-E303 PolarHBondContact NH1-OE2 3.35Å; R285-E303 IonicContact NH2-OE1 2.86Å; F286-E303 WeakPolarHBondContact O-CA 3.23Å; L287-E303 HydrophobicContact CD2-CB 3.74Å; L287-E303 HydrophobicContact CD2-CG 3.69Å
304	F	95.2	Very high	77.6	Confident	16 Å²	16	67.9 Å²	67.9	7%	0.07	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.9	173.5	-58.6	-72.2	0	0	0	110.1	A243 D244 I250 L252 V261 F271 R285 F286 I288 L302	A243-F304 CarbonylContact O-C 3.58Å; A243-F304 VanDerWaalsContact O-CA 3.28Å; A243-F304 WeakPolarHBondContact O-CA 3.45Å; D244-F304 HydrophobicContact CB-CD1 4.44Å; I250-F304 HydrophobicContact CD1-CD1 3.48Å; I250-F304 VanDerWaalsContact CD1-CD1 3.48Å; I250-F304 HydrophobicContact CD1-CE1 3.82Å; I250-F304 HydrophobicContact CD1-CG 4.46Å; L252-F304 HydrophobicContact CD1-CB 4Å; L252-F304 HydrophobicContact CD1-CD2 4.4Å; L252-F304 HydrophobicContact CD1-CG 4.23Å; L252-F304 HydrophobicContact CD2-CD1 4.39Å; L252-F304 HydrophobicContact CD2-CD2 4.44Å; L252-F304 HydrophobicContact CD2-CG 4.29Å; V261-F304 HydrophobicContact CG2-CZ 4.26Å; F271-F304 AromaticContact CE2-CE2 3.87Å; F271-F304 HydrophobicContact CE2-CE2 3.87Å; F271-F304 AromaticContact CE2-CZ 3.71Å; F271-F304 HydrophobicContact CE2-CZ 3.71Å; F271-F304 HydrophobicContact CZ-CE2 4.44Å; F271-F304 AromaticContact CZ-CZ 4Å; F271-F304 HydrophobicContact CZ-CZ 4Å; R285-F304 CarbonylContact C-O 3.49Å; R285-F304 WeakPolarHBondContact CA-O 3.39Å; F286-F304 HydrophobicContact CD1-CD2 4.33Å; F286-F304 PolarHBondContact N-O 3.21Å; F286-F304 PolarHBondContact O-N 3.12Å; I288-F304 HydrophobicContact CD1-CD2 4.37Å; I288-F304 HydrophobicContact CD1-CE2 3.84Å; I288-F304 HydrophobicContact CG1-CE2 4.33Å; L302-F304 HydrophobicContact CB-CE2 4.19Å
305	M	95.4	Very high	79.5	Confident	66 Å²	66	65.8 Å²	65.8	33%	0.325	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.1	-176.4	-164.3	-177	-46.2	0	0	111.2	A242 A243 K284	A242-M305 CarbonylContact C-O 3.6Å; A242-M305 VanDerWaalsContact CA-O 3.25Å; A242-M305 WeakPolarHBondContact CA-O 3.14Å; A243-M305 HydrophobicContact CB-CB 4.49Å; A243-M305 PolarHBondContact N-O 3.06Å; A243-M305 PolarHBondContact O-N 2.97Å; K284-M305 HydrophobicContact CD-CG 3.79Å; K284-M305 HydrophobicContact CD-SD 4.03Å; K284-M305 WeakPolarHBondContact CE-SD 3.43Å; K284-M305 HydrophobicContact CG-CG 4.04Å; K284-M305 PolarHBondContact NZ-SD 3.47Å
306	M	94	Very high	81.8	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.02	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	165.2	179.3	-51.3	-166.9	79	0	0	111	H240 A242 L252 K284 F286 S308 C312 F315	H240-M306 HydrophobicContact CB-CE 3.68Å; A242-M306 HydrophobicContact CB-CG 4.14Å; L252-M306 HydrophobicContact CD1-CE 4.48Å; K284-M306 WeakPolarHBondContact CB-O 3.34Å; K284-M306 WeakPolarHBondContact CD-O 3.35Å; K284-M306 PolarHBondContact O-N 3.21Å; F286-M306 HydrophobicContact CB-CG 4.49Å; F286-M306 HydrophobicContact CB-SD 4.27Å; M306-S308 VanDerWaalsContact C-N 3.34Å; M306-S308 PolarHBondContact O-N 3.09Å; M306-C312 HydrophobicContact CB-CB 4.18Å; M306-C312 HydrophobicContact CG-CB 4.38Å; M306-C312 HydrophobicContact SD-CB 4.14Å; M306-F315 HydrophobicContact CE-CB 3.82Å; M306-F315 HydrophobicContact CE-CD1 4.19Å; M306-F315 HydrophobicContact CE-CD2 4.49Å; M306-F315 HydrophobicContact CE-CG 3.92Å; M306-F315 HydrophobicContact SD-CB 3.86Å; M306-F315 HydrophobicContact SD-CD1 3.97Å; M306-F315 HydrophobicContact SD-CG 4.11Å
307	A	89.8	Confident	83.8	Confident	77 Å²	77	59.5 Å²	59.5	64%	0.636	31%	0.307	S	S	*	.	S	Bend	trans	-66.7	-33.1	-173	0	0	0	0	0	113.4
308	S	90.2	Very high	86.2	Confident	44 Å²	44	54.5 Å²	54.5	31%	0.308	27%	0.273	S	S	.	.			trans	-140.1	162.6	176.3	88.4	0	0	0	0	114	M306 D310 Q311 C312	M306-S308 VanDerWaalsContact C-N 3.34Å; M306-S308 PolarHBondContact O-N 3.09Å; S308-D310 VanDerWaalsContact C-N 3.26Å; S308-D310 PolarHBondContact O-N 3.16Å; S308-D310 PolarHBondContact OG-N 3Å; S308-Q311 PolarHBondContact OG-N 3.06Å; S308-Q311 VanDerWaalsContact OG-N 3.08Å; S308-C312 VanDerWaalsContact O-CB 3.29Å; S308-C312 WeakPolarHBondContact O-CB 3.42Å; S308-C312 PolarHBondContact O-N 3.3Å
309	R	90.4	Very high	88.5	Confident	138 Å²	138	46.3 Å²	46.3	52%	0.521	24%	0.235	S	C	.	.	H	α-helix	trans	-61.3	-33.5	174.7	174.3	-86	-158.7	151.1	9.5	112.4	R283 K313	R283-R309 WeakPolarHBondContact O-CA 3.47Å; R283-R309 WeakPolarHBondContact O-CB 3.31Å; R283-R309 WeakPolarHBondContact O-CG 3.47Å; R309-K313 WeakPolarHBondContact O-CB 3.49Å; R309-K313 PolarHBondContact O-N 3.17Å
310	D	86.7	Confident	90.3	Very high	80 Å²	80	42.6 Å²	42.6	43%	0.428	22%	0.22	S	C	.	.	H	α-helix	trans	-86.2	-32	-176.7	-58.8	-55.2	0	0	0	112.2	S308 C312 K313 N314	S308-D310 VanDerWaalsContact C-N 3.26Å; S308-D310 PolarHBondContact O-N 3.16Å; S308-D310 PolarHBondContact OG-N 3Å; D310-C312 VanDerWaalsContact C-N 3.34Å; D310-K313 PolarHBondContact O-N 2.89Å; D310-N314 WeakPolarHBondContact O-CB 3.17Å; D310-N314 PolarHBondContact O-N 2.94Å
311	Q	88.8	Confident	91.4	Very high	72 Å²	72	40.3 Å²	40.3	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-59.5	-46.6	163.1	-74.7	-177.7	0.6	0	0	110.8	S308 K313 N314 F315	S308-Q311 PolarHBondContact OG-N 3.06Å; S308-Q311 VanDerWaalsContact OG-N 3.08Å; Q311-K313 VanDerWaalsContact C-N 3.33Å; Q311-K313 PolarHBondContact O-N 3.41Å; Q311-N314 PolarHBondContact O-N 3.17Å; Q311-N314 VanDerWaalsContact O-N 3.14Å; Q311-F315 PolarHBondContact O-N 3.28Å
312	C	92.4	Very high	91.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-39.8	177.7	-166.4	0	0	0	0	112.7	F281 R285 F286 M306 S308 D310 W316	F281-C312 VanDerWaalsContact CB-SG 3.56Å; R285-C312 VanDerWaalsContact C-SG 3.58Å; F286-C312 PolarHBondContact N-SG 2.64Å; M306-C312 HydrophobicContact CB-CB 4.18Å; M306-C312 HydrophobicContact CG-CB 4.38Å; M306-C312 HydrophobicContact SD-CB 4.14Å; S308-C312 VanDerWaalsContact O-CB 3.29Å; S308-C312 WeakPolarHBondContact O-CB 3.42Å; S308-C312 PolarHBondContact O-N 3.3Å; D310-C312 VanDerWaalsContact C-N 3.34Å; C312-W316 WeakPolarHBondContact O-CB 3.35Å; C312-W316 PolarHBondContact O-N 2.91Å; C312-W316 VanDerWaalsContact O-N 3.1Å
313	K	90	Very high	91.9	Very high	60 Å²	60	37.6 Å²	37.6	26%	0.261	19%	0.192	S	C	.	.	H	α-helix	trans	-66.2	-40.5	173.2	-177.3	172.3	-178.3	179.1	0	112.1	F281 R309 D310 Q311 W316 K317	F281-K313 HydrophobicContact CD2-CB 4.44Å; F281-K313 HydrophobicContact CE1-CB 4.35Å; F281-K313 HydrophobicContact CE1-CG 4.14Å; F281-K313 HydrophobicContact CE2-CB 3.74Å; F281-K313 HydrophobicContact CE2-CD 4.45Å; F281-K313 HydrophobicContact CE2-CG 4.12Å; F281-K313 HydrophobicContact CZ-CB 3.7Å; F281-K313 HydrophobicContact CZ-CD 3.94Å; F281-K313 HydrophobicContact CZ-CG 3.57Å; R309-K313 WeakPolarHBondContact O-CB 3.49Å; R309-K313 PolarHBondContact O-N 3.17Å; D310-K313 PolarHBondContact O-N 2.89Å; Q311-K313 VanDerWaalsContact C-N 3.33Å; Q311-K313 PolarHBondContact O-N 3.41Å; K313-W316 PolarHBondContact O-N 3.23Å; K313-K317 WeakPolarHBondContact O-CG 3.46Å; K313-K317 PolarHBondContact O-N 2.78Å
314	N	89	Confident	91.8	Very high	50 Å²	50	36.3 Å²	36.3	27%	0.267	19%	0.187	S	C	.	.	H	α-helix	trans	-70.4	-42.8	-179.4	-73.7	-9.1	0	0	0	111.7	D310 Q311 W316 K317 I318	D310-N314 WeakPolarHBondContact O-CB 3.17Å; D310-N314 PolarHBondContact O-N 2.94Å; Q311-N314 PolarHBondContact O-N 3.17Å; Q311-N314 VanDerWaalsContact O-N 3.14Å; N314-W316 VanDerWaalsContact C-N 3.33Å; N314-W316 PolarHBondContact O-N 3.07Å; N314-K317 WeakPolarHBondContact O-CB 3.39Å; N314-K317 PolarHBondContact O-N 3.12Å; N314-K317 VanDerWaalsContact O-N 3.12Å; N314-K317 PolarHBondContact OD1-NZ 3Å; N314-I318 WeakPolarHBondContact O-CG1 3.38Å; N314-I318 PolarHBondContact O-N 3.37Å
315	F	93.1	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-45.3	171.9	-175.7	-111.2	0	0	0	111.5	H240 L252 V254 L259 F286 M306 Q311 K317 I318 C319	H240-F315 HydrophobicContact CB-CD2 3.82Å; H240-F315 HydrophobicContact CB-CE2 4.23Å; H240-F315 HydrophobicContact CB-CG 4.46Å; H240-F315 AromaticContact CD2-CD2 3.39Å; H240-F315 WeakPolarHBondContact CD2-CD2 3.42Å; H240-F315 AromaticContact CD2-CE2 3.67Å; H240-F315 AromaticContact CG-CD2 3.54Å; H240-F315 AromaticContact NE2-CD2 3.97Å; L252-F315 HydrophobicContact CB-CE1 3.94Å; L252-F315 HydrophobicContact CB-CE2 3.88Å; L252-F315 HydrophobicContact CB-CZ 3.45Å; L252-F315 VanDerWaalsContact CB-CZ 3.45Å; L252-F315 HydrophobicContact CD1-CD1 4.24Å; L252-F315 HydrophobicContact CD1-CE1 3.69Å; L252-F315 HydrophobicContact CD1-CZ 4.12Å; L252-F315 HydrophobicContact CG-CE1 4.46Å; L252-F315 HydrophobicContact CG-CZ 4.41Å; V254-F315 HydrophobicContact CG2-CD2 4.21Å; V254-F315 HydrophobicContact CG2-CE2 3.45Å; V254-F315 VanDerWaalsContact CG2-CE2 3.45Å; V254-F315 HydrophobicContact CG2-CZ 3.86Å; L259-F315 HydrophobicContact CD2-CE1 3.81Å; L259-F315 HydrophobicContact CD2-CZ 3.92Å; L259-F315 HydrophobicContact CG-CZ 4.25Å; F286-F315 HydrophobicContact CD1-CD1 4.22Å; F286-F315 HydrophobicContact CD1-CE1 4.01Å; F286-F315 AromaticContact CD2-CD1 3.94Å; F286-F315 HydrophobicContact CD2-CD1 3.94Å; F286-F315 HydrophobicContact CD2-CE1 4.46Å; F286-F315 HydrophobicContact CE1-CD1 4.12Å; F286-F315 AromaticContact CE1-CE1 3.67Å; F286-F315 HydrophobicContact CE1-CE1 3.67Å; F286-F315 AromaticContact CE2-CD1 3.83Å; F286-F315 HydrophobicContact CE2-CD1 3.83Å; F286-F315 HydrophobicContact CE2-CE1 4.15Å; F286-F315 HydrophobicContact CG-CD1 4.13Å; F286-F315 HydrophobicContact CG-CE1 4.39Å; F286-F315 AromaticContact CZ-CD1 3.92Å; F286-F315 HydrophobicContact CZ-CD1 3.92Å; F286-F315 AromaticContact CZ-CE1 3.74Å; F286-F315 HydrophobicContact CZ-CE1 3.74Å; M306-F315 HydrophobicContact CE-CB 3.82Å; M306-F315 HydrophobicContact CE-CD1 4.19Å; M306-F315 HydrophobicContact CE-CD2 4.49Å; M306-F315 HydrophobicContact CE-CG 3.92Å; M306-F315 HydrophobicContact SD-CB 3.86Å; M306-F315 HydrophobicContact SD-CD1 3.97Å; M306-F315 HydrophobicContact SD-CG 4.11Å; Q311-F315 PolarHBondContact O-N 3.28Å; F315-K317 VanDerWaalsContact C-N 3.3Å; F315-K317 PolarHBondContact O-N 3.07Å; F315-I318 PolarHBondContact O-N 3.3Å; F315-I318 VanDerWaalsContact O-N 3.12Å; F315-C319 PolarHBondContact O-N 2.71Å; F315-C319 PolarHBondContact O-SG 3.14Å
316	W	94	Very high	91.5	Very high	30 Å²	30	33.6 Å²	33.6	11%	0.114	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-37.5	173.9	174.9	88.2	0	0	0	113.3	L279 F281 F286 C312 K313 N314 V320 S345 F347	L279-W316 PolarHBondContact O-NE1 3.2Å; L279-W316 VanDerWaalsContact O-NE1 3.13Å; F281-W316 HydrophobicContact CD1-CB 3.84Å; F281-W316 AromaticContact CD1-CD2 3.91Å; F281-W316 HydrophobicContact CD1-CD2 3.91Å; F281-W316 HydrophobicContact CD1-CE3 4.42Å; F281-W316 AromaticContact CD1-CG 3.62Å; F281-W316 HydrophobicContact CD1-CG 3.62Å; F281-W316 HydrophobicContact CE1-CB 4.36Å; F281-W316 AromaticContact CE1-CD2 3.86Å; F281-W316 HydrophobicContact CE1-CD2 3.86Å; F281-W316 AromaticContact CE1-CE3 3.93Å; F281-W316 HydrophobicContact CE1-CE3 3.93Å; F281-W316 HydrophobicContact CE1-CG 4.05Å; F286-W316 HydrophobicContact CD2-CB 4.25Å; F286-W316 HydrophobicContact CE2-CB 3.86Å; F286-W316 HydrophobicContact CE2-CG 4.41Å; C312-W316 WeakPolarHBondContact O-CB 3.35Å; C312-W316 PolarHBondContact O-N 2.91Å; C312-W316 VanDerWaalsContact O-N 3.1Å; K313-W316 PolarHBondContact O-N 3.23Å; N314-W316 VanDerWaalsContact C-N 3.33Å; N314-W316 PolarHBondContact O-N 3.07Å; W316-V320 HydrophobicContact CD2-CG2 4.32Å; W316-V320 HydrophobicContact CH2-CG2 4.22Å; W316-V320 HydrophobicContact CZ2-CG2 3.9Å; W316-V320 WeakPolarHBondContact O-CG2 3.13Å; W316-V320 PolarHBondContact O-N 2.69Å; W316-V320 VanDerWaalsContact O-N 3.1Å; W316-S345 WeakPolarHBondContact CZ3-OG 3.38Å; W316-F347 HydrophobicContact CH2-CB 4.44Å; W316-F347 HydrophobicContact CZ3-CB 4.04Å; W316-F347 HydrophobicContact CZ3-CD1 4.22Å
317	K	91.3	Very high	91.2	Very high	14 Å²	14	39.6 Å²	39.6	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-49.6	172	-67	179.3	-149.7	161.7	0	111.5	E106 K313 N314 F315 C319 V320 E321 F347	E106-K317 IonicContact OE1-NZ 2.76Å; E106-K317 PolarHBondContact OE1-NZ 3.33Å; E106-K317 IonicContact OE2-NZ 3.2Å; E106-K317 PolarHBondContact OE2-NZ 2.84Å; K313-K317 WeakPolarHBondContact O-CG 3.46Å; K313-K317 PolarHBondContact O-N 2.78Å; N314-K317 WeakPolarHBondContact O-CB 3.39Å; N314-K317 PolarHBondContact O-N 3.12Å; N314-K317 VanDerWaalsContact O-N 3.12Å; N314-K317 PolarHBondContact OD1-NZ 3Å; F315-K317 VanDerWaalsContact C-N 3.3Å; F315-K317 PolarHBondContact O-N 3.07Å; K317-C319 PolarHBondContact O-N 2.72Å; K317-V320 CarbonylContact O-C 3.57Å; K317-V320 WeakPolarHBondContact O-CA 3.33Å; K317-V320 WeakPolarHBondContact O-CB 3.36Å; K317-V320 PolarHBondContact O-N 3.06Å; K317-E321 WeakPolarHBondContact O-CG 3.25Å; K317-E321 PolarHBondContact O-N 3.29Å; K317-F347 HydrophobicContact CB-CD1 4.13Å; K317-F347 HydrophobicContact CB-CE1 3.75Å; K317-F347 HydrophobicContact CB-CZ 3.99Å; K317-F347 HydrophobicContact CD-CD1 4.42Å; K317-F347 HydrophobicContact CD-CD2 3.87Å; K317-F347 HydrophobicContact CD-CE1 4.37Å; K317-F347 HydrophobicContact CD-CE2 3.82Å; K317-F347 HydrophobicContact CD-CG 4.18Å; K317-F347 HydrophobicContact CD-CZ 4.08Å; K317-F347 HydrophobicContact CG-CD1 3.78Å; K317-F347 HydrophobicContact CG-CD2 4.13Å; K317-F347 HydrophobicContact CG-CE1 3.87Å; K317-F347 HydrophobicContact CG-CE2 4.21Å; K317-F347 HydrophobicContact CG-CG 3.92Å; K317-F347 HydrophobicContact CG-CZ 4.08Å
318	I	92.6	Very high	90.9	Very high	19 Å²	19	38.4 Å²	38.4	10%	0.097	18%	0.178	C	C	.	.	H	α-helix	trans	-56.4	-41	-179.1	-64.1	165.2	0	0	0	109.9	V254 N314 F315 E321 Y322	V254-I318 HydrophobicContact CB-CG2 4.16Å; V254-I318 HydrophobicContact CG2-CG2 3.87Å; N314-I318 WeakPolarHBondContact O-CG1 3.38Å; N314-I318 PolarHBondContact O-N 3.37Å; F315-I318 PolarHBondContact O-N 3.3Å; F315-I318 VanDerWaalsContact O-N 3.12Å; I318-E321 PolarHBondContact O-N 3.13Å; I318-Y322 HydrophobicContact CG2-CD2 3.8Å; I318-Y322 HydrophobicContact CG2-CE2 3.85Å; I318-Y322 WeakPolarHBondContact O-CB 3.36Å; I318-Y322 WeakPolarHBondContact O-CD2 3.41Å; I318-Y322 PolarHBondContact O-N 2.97Å
319	C	94.3	Very high	90.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-41.4	173	-57.2	0	0	0	0	113.7	V254 L259 W273 L279 F315 K317 H323	V254-C319 VanDerWaalsContact CG2-SG 3.58Å; L259-C319 HydrophobicContact CD1-CB 4.2Å; W273-C319 HydrophobicContact CH2-CB 4.14Å; W273-C319 VanDerWaalsContact CH2-O 3.3Å; W273-C319 WeakPolarHBondContact CH2-O 3.32Å; W273-C319 HydrophobicContact CZ3-CB 4.5Å; L279-C319 HydrophobicContact CD1-CB 3.4Å; L279-C319 VanDerWaalsContact CD1-CB 3.4Å; F315-C319 PolarHBondContact O-N 2.71Å; F315-C319 PolarHBondContact O-SG 3.14Å; K317-C319 PolarHBondContact O-N 2.72Å; C319-H323 VanDerWaalsContact O-CB 3.25Å; C319-H323 WeakPolarHBondContact O-CB 3.31Å; C319-H323 PolarHBondContact O-N 3.48Å
320	V	91.4	Very high	89.2	Confident	33 Å²	33	39.2 Å²	39.2	20%	0.2	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-43.5	174.7	168.5	0	0	0	0	111	W316 K317 S324 F347	W316-V320 HydrophobicContact CD2-CG2 4.32Å; W316-V320 HydrophobicContact CH2-CG2 4.22Å; W316-V320 HydrophobicContact CZ2-CG2 3.9Å; W316-V320 WeakPolarHBondContact O-CG2 3.13Å; W316-V320 PolarHBondContact O-N 2.69Å; W316-V320 VanDerWaalsContact O-N 3.1Å; K317-V320 CarbonylContact O-C 3.57Å; K317-V320 WeakPolarHBondContact O-CA 3.33Å; K317-V320 WeakPolarHBondContact O-CB 3.36Å; K317-V320 PolarHBondContact O-N 3.06Å; V320-S324 WeakPolarHBondContact O-CB 3.48Å; V320-S324 PolarHBondContact O-N 3.48Å; V320-S324 PolarHBondContact O-OG 2.85Å; V320-F347 HydrophobicContact CB-CE1 4.49Å; V320-F347 HydrophobicContact CG1-CD1 4.29Å; V320-F347 HydrophobicContact CG1-CE1 4.25Å
321	E	92.4	Very high	88.1	Confident	13 Å²	13	40.1 Å²	40.1	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-49.1	179.8	-65.5	-172.6	114.4	0	0	112.1	K128 F129 K317 I318 H323 S324 F325 F347 Y349	K128-E321 VanDerWaalsContact CE-OE2 3.27Å; K128-E321 WeakPolarHBondContact CE-OE2 3.3Å; K128-E321 IonicContact NZ-OE1 2.6Å; K128-E321 PolarHBondContact NZ-OE1 2.79Å; K128-E321 IonicContact NZ-OE2 2.72Å; K128-E321 PolarHBondContact NZ-OE2 2.84Å; F129-E321 HydrophobicContact CE1-CB 4.15Å; F129-E321 HydrophobicContact CZ-CB 4.08Å; K317-E321 WeakPolarHBondContact O-CG 3.25Å; K317-E321 PolarHBondContact O-N 3.29Å; I318-E321 PolarHBondContact O-N 3.13Å; E321-H323 PolarHBondContact O-N 2.81Å; E321-S324 PolarHBondContact O-N 2.85Å; E321-F325 WeakPolarHBondContact O-CB 3.42Å; E321-F325 PolarHBondContact O-N 3.05Å; E321-F347 HydrophobicContact CG-CE1 3.8Å; E321-F347 HydrophobicContact CG-CZ 3.72Å; E321-Y349 HydrophobicContact CB-CD2 4.1Å; E321-Y349 HydrophobicContact CG-CD2 4.05Å
322	Y	94	Very high	86.6	Confident	13 Å²	13	38.9 Å²	38.9	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-43.5	176.2	-92.6	-113.8	0	0	0	112.1	K128 F129 V254 I318 F325 F326	K128-Y322 WeakPolarHBondContact O-CE2 3.45Å; K128-Y322 PolarHBondContact O-OH 2.86Å; F129-Y322 HydrophobicContact CD1-CD1 4.31Å; F129-Y322 AromaticContact CD1-CD2 3.61Å; F129-Y322 HydrophobicContact CD1-CD2 3.61Å; F129-Y322 HydrophobicContact CD1-CE1 4.4Å; F129-Y322 AromaticContact CD1-CE2 3.67Å; F129-Y322 HydrophobicContact CD1-CE2 3.67Å; F129-Y322 AromaticContact CD1-CG 3.95Å; F129-Y322 HydrophobicContact CD1-CG 3.95Å; F129-Y322 AromaticContact CE1-CD2 3.56Å; F129-Y322 HydrophobicContact CE1-CD2 3.56Å; F129-Y322 AromaticContact CE1-CE2 3.95Å; F129-Y322 HydrophobicContact CE1-CE2 3.95Å; F129-Y322 HydrophobicContact CE1-CG 4.09Å; V254-Y322 HydrophobicContact CB-CD1 4.32Å; V254-Y322 HydrophobicContact CB-CD2 4.4Å; V254-Y322 HydrophobicContact CB-CG 4.24Å; V254-Y322 HydrophobicContact CG1-CD1 3.8Å; V254-Y322 HydrophobicContact CG1-CD2 4.09Å; V254-Y322 HydrophobicContact CG1-CE1 4.46Å; V254-Y322 HydrophobicContact CG1-CG 3.56Å; V254-Y322 VanDerWaalsContact O-CE1 3.31Å; V254-Y322 WeakPolarHBondContact O-CE1 3.42Å; I318-Y322 HydrophobicContact CG2-CD2 3.8Å; I318-Y322 HydrophobicContact CG2-CE2 3.85Å; I318-Y322 WeakPolarHBondContact O-CB 3.36Å; I318-Y322 WeakPolarHBondContact O-CD2 3.41Å; I318-Y322 PolarHBondContact O-N 2.97Å; Y322-F325 PolarHBondContact O-N 2.89Å; Y322-F326 HydrophobicContact CD1-CD2 4.03Å; Y322-F326 AromaticContact CD1-CE2 3.81Å; Y322-F326 HydrophobicContact CD1-CE2 3.81Å; Y322-F326 HydrophobicContact CE1-CE2 4.13Å; Y322-F326 WeakPolarHBondContact O-CB 3.46Å; Y322-F326 WeakPolarHBondContact O-CD2 3.38Å; Y322-F326 PolarHBondContact O-N 2.85Å
323	H	92.1	Very high	84.5	Confident	26 Å²	26	46.8 Å²	46.8	12%	0.12	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-44.1	174.7	176.1	-73.3	0	0	0	110.9	W273 C319 E321 R327	W273-H323 HydrophobicContact CD2-CB 4.27Å; W273-H323 HydrophobicContact CE3-CB 4Å; W273-H323 AromaticContact CE3-CD2 3.8Å; W273-H323 HydrophobicContact CH2-CB 4.12Å; W273-H323 HydrophobicContact CZ2-CB 4.39Å; W273-H323 HydrophobicContact CZ3-CB 3.91Å; C319-H323 VanDerWaalsContact O-CB 3.25Å; C319-H323 WeakPolarHBondContact O-CB 3.31Å; C319-H323 PolarHBondContact O-N 3.48Å; E321-H323 PolarHBondContact O-N 2.81Å; H323-R327 WeakPolarHBondContact O-CA 3.46Å; H323-R327 WeakPolarHBondContact O-CB 3.42Å; H323-R327 PolarHBondContact O-N 3.22Å
324	S	90.9	Very high	82.5	Confident	7 Å²	7	49.1 Å²	49.1	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-46.5	177.1	-78.7	0	0	0	0	112.5	V320 E321 L328 Y349	V320-S324 WeakPolarHBondContact O-CB 3.48Å; V320-S324 PolarHBondContact O-N 3.48Å; V320-S324 PolarHBondContact O-OG 2.85Å; E321-S324 PolarHBondContact O-N 2.85Å; S324-L328 WeakPolarHBondContact O-CB 3.24Å; S324-L328 PolarHBondContact O-N 3.24Å; S324-Y349 VanDerWaalsContact CB-CB 3.47Å
325	F	93.1	Very high	80.4	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-48.9	-178.5	-175.1	-108.1	0	0	0	112.8	D89 Y90 F129 E321 Y322 Y349 R352 Q354 L357	D89-F325 HydrophobicContact CB-CE2 3.96Å; Y90-F325 AromaticContact CD1-CE1 3.74Å; Y90-F325 HydrophobicContact CD1-CE1 3.74Å; Y90-F325 AromaticContact CD1-CZ 3.62Å; Y90-F325 HydrophobicContact CD1-CZ 3.62Å; Y90-F325 AromaticContact CE1-CE1 3.6Å; Y90-F325 HydrophobicContact CE1-CE1 3.6Å; Y90-F325 AromaticContact CE1-CZ 3.57Å; Y90-F325 HydrophobicContact CE1-CZ 3.57Å; Y90-F325 HydrophobicContact CG-CZ 4.25Å; F129-F325 HydrophobicContact CB-CD1 3.69Å; F129-F325 HydrophobicContact CB-CE1 3.64Å; F129-F325 HydrophobicContact CB-CZ 4.45Å; F129-F325 HydrophobicContact CD1-CB 4.34Å; F129-F325 HydrophobicContact CD1-CD1 4.14Å; F129-F325 HydrophobicContact CD1-CG 4.38Å; F129-F325 HydrophobicContact CD2-CB 4.22Å; F129-F325 AromaticContact CD2-CD1 3.62Å; F129-F325 HydrophobicContact CD2-CD1 3.62Å; F129-F325 AromaticContact CD2-CD2 3.9Å; F129-F325 HydrophobicContact CD2-CD2 3.9Å; F129-F325 AromaticContact CD2-CE1 3.86Å; F129-F325 HydrophobicContact CD2-CE1 3.86Å; F129-F325 HydrophobicContact CD2-CE2 4.13Å; F129-F325 AromaticContact CD2-CG 3.64Å; F129-F325 HydrophobicContact CD2-CG 3.64Å; F129-F325 HydrophobicContact CD2-CZ 4.1Å; F129-F325 HydrophobicContact CE1-CB 4.11Å; F129-F325 HydrophobicContact CE2-CB 3.99Å; F129-F325 HydrophobicContact CE2-CD1 4.25Å; F129-F325 AromaticContact CE2-CD2 3.94Å; F129-F325 HydrophobicContact CE2-CD2 3.94Å; F129-F325 HydrophobicContact CE2-CE2 4.49Å; F129-F325 AromaticContact CE2-CG 3.8Å; F129-F325 HydrophobicContact CE2-CG 3.8Å; F129-F325 HydrophobicContact CG-CB 4.4Å; F129-F325 AromaticContact CG-CD1 3.56Å; F129-F325 HydrophobicContact CG-CD1 3.56Å; F129-F325 AromaticContact CG-CE1 3.92Å; F129-F325 HydrophobicContact CG-CE1 3.92Å; F129-F325 AromaticContact CG-CG 3.96Å; F129-F325 HydrophobicContact CG-CG 3.96Å; F129-F325 HydrophobicContact CZ-CB 3.93Å; F129-F325 HydrophobicContact CZ-CG 4.24Å; E321-F325 WeakPolarHBondContact O-CB 3.42Å; E321-F325 PolarHBondContact O-N 3.05Å; Y322-F325 PolarHBondContact O-N 2.89Å; F325-Y349 WeakPolarHBondContact CD2-OH 3.36Å; F325-R352 WeakPolarHBondContact CD2-O 3.32Å; F325-Q354 HydrophobicContact CD1-CB 4.2Å; F325-Q354 HydrophobicContact CE1-CB 3.85Å; F325-Q354 HydrophobicContact CE1-CG 3.95Å; F325-Q354 HydrophobicContact CE2-CB 4.19Å; F325-Q354 HydrophobicContact CZ-CB 3.86Å; F325-Q354 HydrophobicContact CZ-CG 3.95Å; F325-Q354 WeakPolarHBondContact O-CB 3.44Å; F325-Q354 PolarHBondContact O-N 3.07Å; F325-L357 HydrophobicContact CE2-CD2 4.41Å; F325-L357 HydrophobicContact CZ-CD2 4.3Å
326	F	92.1	Very high	77.8	Confident	25 Å²	25	59.4 Å²	59.4	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-93.1	-13.2	-172.8	-70.6	-69	0	0	0	115.6	F129 F130 H256 Y322	F129-F326 HydrophobicContact CB-CE2 3.84Å; F129-F326 HydrophobicContact CB-CZ 3.82Å; F129-F326 HydrophobicContact CD1-CE2 4.17Å; F129-F326 HydrophobicContact CG-CE2 4.33Å; F130-F326 WeakPolarHBondContact O-CZ 3.39Å; H256-F326 HydrophobicContact CB-CD1 3.84Å; H256-F326 HydrophobicContact CB-CD2 3.92Å; H256-F326 HydrophobicContact CB-CE1 3.84Å; H256-F326 HydrophobicContact CB-CE2 3.9Å; H256-F326 HydrophobicContact CB-CG 3.88Å; H256-F326 HydrophobicContact CB-CZ 3.86Å; Y322-F326 HydrophobicContact CD1-CD2 4.03Å; Y322-F326 AromaticContact CD1-CE2 3.81Å; Y322-F326 HydrophobicContact CD1-CE2 3.81Å; Y322-F326 HydrophobicContact CE1-CE2 4.13Å; Y322-F326 WeakPolarHBondContact O-CB 3.46Å; Y322-F326 WeakPolarHBondContact O-CD2 3.38Å; Y322-F326 PolarHBondContact O-N 2.85Å
327	R	87.2	Confident	75.2	Confident	130 Å²	130	67.6 Å²	67.6	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-127.8	-14.4	-171.5	-55.1	-65.4	-62.6	136.2	1.7	116	W273 H323	W273-R327 HydrophobicContact CB-CG 3.97Å; W273-R327 HydrophobicContact CG-CG 3.82Å; H323-R327 WeakPolarHBondContact O-CA 3.46Å; H323-R327 WeakPolarHBondContact O-CB 3.42Å; H323-R327 PolarHBondContact O-N 3.22Å
328	L	83.3	Confident	72.7	Confident	51 Å²	51	70.6 Å²	70.6	27%	0.267	36%	0.36	S	S	.	.			trans	-91.7	143.9	171.4	-59.3	179	0	0	0	109.9	S324 D330 P332 T353	S324-L328 WeakPolarHBondContact O-CB 3.24Å; S324-L328 PolarHBondContact O-N 3.24Å; L328-D330 WeakPolarHBondContact CB-O 3.48Å; L328-P332 HydrophobicContact CD1-CB 4.31Å; L328-P332 HydrophobicContact CD1-CG 4.19Å; L328-T353 HydrophobicContact CB-CG2 4.19Å; L328-T353 WeakPolarHBondContact O-CB 3.43Å; L328-T353 WeakPolarHBondContact O-CG2 3.11Å
329	F	74.9	Confident	70.4	Confident	123 Å²	123	77 Å²	77	54%	0.539	39%	0.393	S	S	.	.	S	Bend	trans	-71.6	-45.8	170.3	-66.1	-79.5	0	0	0	109.7	T353 K355	F329-T353 PolarHBondContact O-OG1 2.73Å; F329-K355 HydrophobicContact CB-CD 4.41Å; F329-K355 HydrophobicContact CD1-CD 3.74Å
330	D	70.1	Confident	67.8	Low	77 Å²	77	83.4 Å²	83.4	41%	0.412	43%	0.426	S	S	.	.	S	Bend	trans	-127.8	163.1	-175.7	-61.3	-70.8	0	0	0	113	L328 Q356	L328-D330 WeakPolarHBondContact CB-O 3.48Å; D330-Q356 PolarHBondContact OD1-NE2 2.87Å
331	Q	63.4	Low	65.4	Low	98 Å²	98	91.1 Å²	91.1	46%	0.458	46%	0.458	S	S	.	.			trans	-60.6	133.6	177.4	-170.6	-178.5	13.8	0	0	110.8	E333	Q331-E333 PolarHBondContact O-N 3.3Å; Q331-E333 VanDerWaalsContact O-N 3.15Å
332	P	58.1	Low	62.9	Low	46 Å²	46	96.2 Å²	96.2	30%	0.299	49%	0.49	S	S	.	.			trans	-67.9	115.1	-179.1	26.6	-34.1	0	0	0	111.4	L328	L328-P332 HydrophobicContact CD1-CB 4.31Å; L328-P332 HydrophobicContact CD1-CG 4.19Å
333	E	48.5	Very low	60.5	Low	167 Å²	167	108 Å²	108	78%	0.78	53%	0.534	S	S	*	.			trans	-53.4	146.7	-172.4	-72.3	-166.8	161.3	0	0	114.5	Q331 K335	Q331-E333 PolarHBondContact O-N 3.3Å; Q331-E333 VanDerWaalsContact O-N 3.15Å; E333-K335 VanDerWaalsContact C-N 3.35Å; E333-K335 PolarHBondContact O-N 3.34Å
334	P	47.5	Very low	58.7	Low	109 Å²	109	110 Å²	110	71%	0.708	56%	0.562	S	S	*	*			trans	-75.3	83	177.5	32.3	-34.9	0	0	0	111.3	T336	P334-T336 PolarHBondContact O-N 3.46Å
335	K	43.8	Very low	57.5	Low	128 Å²	128	111.7 Å²	111.7	56%	0.557	57%	0.574	S	S	*	*			trans	-43.2	129.3	172.4	-69.3	-151.8	175.1	-149.9	0	110	E3 E333	E3-K335 IonicContact OE1-NZ 3.77Å; E3-K335 PolarHBondContact OE1-NZ 2.97Å; E3-K335 VanDerWaalsContact OE1-NZ 3.08Å; E333-K335 VanDerWaalsContact C-N 3.35Å; E333-K335 PolarHBondContact O-N 3.34Å
336	T	39.7	Very low	56.2	Low	137 Å²	137	117.3 Å²	117.3	84%	0.84	61%	0.613	S	S	*	*			trans	-48.3	143	178.3	39.1	0	0	0	0	111	P334 A338	P334-T336 PolarHBondContact O-N 3.46Å; T336-A338 PolarHBondContact O-N 2.99Å
337	K	39.7	Very low	55.7	Low	202 Å²	202	117.6 Å²	117.6	88%	0.878	61%	0.614	S	S	*	*			trans	-70.3	94.2	-175.2	-69.3	176.6	-176.6	168.4	0	109.9	I339	K337-I339 PolarHBondContact O-N 3.07Å; K337-I339 VanDerWaalsContact O-N 3.09Å
338	A	38.2	Very low	55.2	Low	78 Å²	78	116.9 Å²	116.9	65%	0.645	61%	0.612	S	S	*	*			trans	-55	116.3	164	0	0	0	0	0	108.8	T336	T336-A338 PolarHBondContact O-N 2.99Å
339	I	44.5	Very low	55.2	Low	154 Å²	154	115.1 Å²	115.1	79%	0.79	60%	0.601	S	S	*	*	S	Bend	trans	-70.7	138.7	178.5	-69	169.3	0	0	0	107.9	K337	K337-I339 PolarHBondContact O-N 3.07Å; K337-I339 VanDerWaalsContact O-N 3.09Å
340	L	38.6	Very low	55.4	Low	133 Å²	133	111.3 Å²	111.3	70%	0.696	59%	0.59	S	S	*	*	S	Bend	trans	79.7	119.1	-177.4	-60.1	153.6	0	0	0	117.5	T342	L340-T342 PolarHBondContact O-N 2.79Å
341	F	42	Very low	56	Low	195 Å²	195	108.5 Å²	108.5	86%	0.855	58%	0.579	S	S	*	*			trans	49.3	45.8	151.2	-58.9	-67.9	0	0	0	121.5	R343	F341-R343 PolarHBondContact O-N 2.94Å
342	T	38.9	Very low	57.3	Low	121 Å²	121	106.3 Å²	106.3	74%	0.742	57%	0.567	S	S	*	*			trans	-70.8	94.9	163.1	36.7	0	0	0	0	112.4	L340 G344	L340-T342 PolarHBondContact O-N 2.79Å; T342-G344 PolarHBondContact O-N 2.72Å
343	R	43.9	Very low	58.9	Low	260 Å²	260	104.1 Å²	104.1	98%	0.981	55%	0.552	S	S	*	*			trans	-73.4	64.1	178.6	-167.1	-179.8	-180	173.2	2.2	112.7	F341	F341-R343 PolarHBondContact O-N 2.94Å
344	G	54.8	Low	60.9	Low	67 Å²	67	97.6 Å²	97.6	69%	0.691	52%	0.522	S	S	*	.	S	Bend	trans	-146.6	-177.6	-176.7	0	0	0	0	0	114.5	T342	T342-G344 PolarHBondContact O-N 2.72Å
345	S	64.9	Low	62.8	Low	44 Å²	44	96.3 Å²	96.3	31%	0.308	51%	0.505	S	S	.	.			trans	-94	115.2	172.4	-172.3	0	0	0	0	109.2	W316 F347	W316-S345 WeakPolarHBondContact CZ3-OG 3.38Å; S345-F347 PolarHBondContact O-N 3.03Å
346	S	67.1	Low	64.9	Low	118 Å²	118	92.5 Å²	92.5	83%	0.825	49%	0.489	S	S	*	.			trans	-80.6	7.6	-177.2	54.7	0	0	0	0	115
347	F	79.7	Confident	67.3	Low	32 Å²	32	86 Å²	86	14%	0.14	45%	0.449	C	S	.	.			trans	-64.6	135.6	-179	179.3	-93.8	0	0	0	111.8	W316 K317 V320 E321 S345	W316-F347 HydrophobicContact CH2-CB 4.44Å; W316-F347 HydrophobicContact CZ3-CB 4.04Å; W316-F347 HydrophobicContact CZ3-CD1 4.22Å; K317-F347 HydrophobicContact CB-CD1 4.13Å; K317-F347 HydrophobicContact CB-CE1 3.75Å; K317-F347 HydrophobicContact CB-CZ 3.99Å; K317-F347 HydrophobicContact CD-CD1 4.42Å; K317-F347 HydrophobicContact CD-CD2 3.87Å; K317-F347 HydrophobicContact CD-CE1 4.37Å; K317-F347 HydrophobicContact CD-CE2 3.82Å; K317-F347 HydrophobicContact CD-CG 4.18Å; K317-F347 HydrophobicContact CD-CZ 4.08Å; K317-F347 HydrophobicContact CG-CD1 3.78Å; K317-F347 HydrophobicContact CG-CD2 4.13Å; K317-F347 HydrophobicContact CG-CE1 3.87Å; K317-F347 HydrophobicContact CG-CE2 4.21Å; K317-F347 HydrophobicContact CG-CG 3.92Å; K317-F347 HydrophobicContact CG-CZ 4.08Å; V320-F347 HydrophobicContact CB-CE1 4.49Å; V320-F347 HydrophobicContact CG1-CD1 4.29Å; V320-F347 HydrophobicContact CG1-CE1 4.25Å; E321-F347 HydrophobicContact CG-CE1 3.8Å; E321-F347 HydrophobicContact CG-CZ 3.72Å; S345-F347 PolarHBondContact O-N 3.03Å
348	R	77.5	Confident	69.6	Low	115 Å²	115	78 Å²	78	43%	0.434	42%	0.417	S	S	.	.			trans	-136.9	152.6	174.2	-64.5	179.4	179.7	143.9	-3.1	108.3
349	Y	84.1	Confident	71.8	Confident	13 Å²	13	76.9 Å²	76.9	5%	0.051	40%	0.399	C	S	.	.			trans	-68.8	141.2	169.6	178.9	-112.7	0	0	0	110.5	F129 E321 S324 F325 G351 R352	F129-Y349 HydrophobicContact CE2-CE2 4.1Å; F129-Y349 AromaticContact CZ-CE2 3.91Å; F129-Y349 HydrophobicContact CZ-CE2 3.91Å; E321-Y349 HydrophobicContact CB-CD2 4.1Å; E321-Y349 HydrophobicContact CG-CD2 4.05Å; S324-Y349 VanDerWaalsContact CB-CB 3.47Å; F325-Y349 WeakPolarHBondContact CD2-OH 3.36Å; Y349-G351 VanDerWaalsContact CE1-C 3.42Å; Y349-G351 WeakPolarHBondContact CE1-O 3.44Å; Y349-R352 WeakPolarHBondContact CE1-O 3.39Å; Y349-R352 PolarHBondContact OH-O 3.19Å
350	S	77.6	Confident	73.8	Confident	44 Å²	44	74.2 Å²	74.2	31%	0.308	38%	0.38	S	S	.	.			trans	-124.5	4.9	-170.8	64.6	0	0	0	0	115.2
351	G	84.4	Confident	76	Confident	17 Å²	17	68 Å²	68	18%	0.175	35%	0.347	C	S	.	.	S	Bend	trans	-98.4	-176.7	173.5	0	0	0	0	0	112.8	D89 Y349	D89-G351 WeakPolarHBondContact OD1-CA 3.27Å; Y349-G351 VanDerWaalsContact CE1-C 3.42Å; Y349-G351 WeakPolarHBondContact CE1-O 3.44Å
352	R	89.7	Confident	77.9	Confident	52 Å²	52	67.4 Å²	67.4	20%	0.196	34%	0.339	C	S	.	.			trans	-71.1	147.8	171	-65.7	173.8	-72.2	-169.3	3.6	109.9	I86 S88 D89 F325 Y349 Q356 L357	I86-R352 PolarHBondContact O-NH2 3.4Å; I86-R352 VanDerWaalsContact O-NH2 3.14Å; S88-R352 PolarHBondContact OG-NH2 3.21Å; S88-R352 VanDerWaalsContact OG-NH2 3.17Å; D89-R352 PolarHBondContact OD1-N 3.47Å; D89-R352 IonicContact OD1-NE 2.92Å; D89-R352 IonicContact OD2-CZ 2.76Å; D89-R352 IonicContact OD2-NE 3.49Å; D89-R352 PolarHBondContact OD2-NE 2.97Å; D89-R352 IonicContact OD2-NH2 3.97Å; D89-R352 PolarHBondContact OD2-NH2 3.38Å; F325-R352 WeakPolarHBondContact CD2-O 3.32Å; Y349-R352 WeakPolarHBondContact CE1-O 3.39Å; Y349-R352 PolarHBondContact OH-O 3.19Å; R352-Q356 HydrophobicContact CB-CB 4.1Å; R352-L357 VanDerWaalsContact CZ-CD1 3.42Å; R352-L357 VanDerWaalsContact NH2-CD1 3.27Å
353	T	91.8	Very high	79.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.338	C	S	.	.			trans	-69.9	162.3	166.8	70.9	0	0	0	0	110.1	L328 F329 K355 Q356 L357	L328-T353 HydrophobicContact CB-CG2 4.19Å; L328-T353 WeakPolarHBondContact O-CB 3.43Å; L328-T353 WeakPolarHBondContact O-CG2 3.11Å; F329-T353 PolarHBondContact O-OG1 2.73Å; T353-K355 PolarHBondContact O-N 3.23Å; T353-Q356 PolarHBondContact O-N 3.12Å; T353-Q356 VanDerWaalsContact O-N 3.16Å; T353-Q356 WeakPolarHBondContact OG1-CG 3.48Å; T353-Q356 PolarHBondContact OG1-N 2.79Å; T353-Q356 VanDerWaalsContact OG1-N 3.12Å; T353-L357 WeakPolarHBondContact O-CB 3.39Å; T353-L357 PolarHBondContact O-N 2.59Å
354	Q	90.9	Very high	81.3	Confident	31 Å²	31	59 Å²	59	15%	0.145	31%	0.305	C	S	.	.	H	α-helix	trans	-58.3	-35.2	176.7	-164.1	-168.6	14.3	0	0	111.4	Y90 F325 L357 V358	Y90-Q354 HydrophobicContact CE1-CG 4.38Å; Y90-Q354 PolarHBondContact OH-NE2 3.25Å; F325-Q354 HydrophobicContact CD1-CB 4.2Å; F325-Q354 HydrophobicContact CE1-CB 3.85Å; F325-Q354 HydrophobicContact CE1-CG 3.95Å; F325-Q354 HydrophobicContact CE2-CB 4.19Å; F325-Q354 HydrophobicContact CZ-CB 3.86Å; F325-Q354 HydrophobicContact CZ-CG 3.95Å; F325-Q354 WeakPolarHBondContact O-CB 3.44Å; F325-Q354 PolarHBondContact O-N 3.07Å; Q354-L357 PolarHBondContact O-N 3.14Å; Q354-V358 WeakPolarHBondContact O-CG2 3.49Å; Q354-V358 PolarHBondContact O-N 3.05Å; Q354-V358 VanDerWaalsContact O-N 3.09Å
355	K	87.4	Confident	81.6	Confident	82 Å²	82	56.8 Å²	56.8	36%	0.357	28%	0.281	S	S	.	.	H	α-helix	trans	-63.2	-53.3	174	174.6	179.6	173.4	-67.2	0	111.4	F329 T353 L357 V358 E359	F329-K355 HydrophobicContact CB-CD 4.41Å; F329-K355 HydrophobicContact CD1-CD 3.74Å; T353-K355 PolarHBondContact O-N 3.23Å; K355-L357 PolarHBondContact O-N 3.19Å; K355-V358 PolarHBondContact O-N 3.3Å; K355-E359 WeakPolarHBondContact CE-OE1 3.43Å; K355-E359 WeakPolarHBondContact CG-OE2 3.34Å; K355-E359 IonicContact NZ-OE1 3.64Å; K355-E359 PolarHBondContact NZ-OE1 3.22Å; K355-E359 IonicContact NZ-OE2 3.72Å; K355-E359 PolarHBondContact NZ-OE2 3.3Å; K355-E359 WeakPolarHBondContact O-CG 3.43Å; K355-E359 PolarHBondContact O-N 3.09Å
356	Q	88.1	Confident	80.9	Confident	47 Å²	47	59.6 Å²	59.6	22%	0.22	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-31.6	179.1	-71.2	176.7	-26	0	0	112.1	D330 R352 T353 Y360	D330-Q356 PolarHBondContact OD1-NE2 2.87Å; R352-Q356 HydrophobicContact CB-CB 4.1Å; T353-Q356 PolarHBondContact O-N 3.12Å; T353-Q356 VanDerWaalsContact O-N 3.16Å; T353-Q356 WeakPolarHBondContact OG1-CG 3.48Å; T353-Q356 PolarHBondContact OG1-N 2.79Å; T353-Q356 VanDerWaalsContact OG1-N 3.12Å; Q356-Y360 VanDerWaalsContact O-CB 3.22Å; Q356-Y360 WeakPolarHBondContact O-CB 3.42Å; Q356-Y360 PolarHBondContact O-N 3.07Å
357	L	89.4	Confident	80.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-48.7	174.4	-169.2	66.1	0	0	0	111.9	E87 D89 Y90 F325 R352 T353 Q354 K355 E359 Y360 V361	E87-L357 HydrophobicContact CB-CD2 4.33Å; D89-L357 HydrophobicContact CB-CD1 4.37Å; D89-L357 HydrophobicContact CB-CD2 4.28Å; Y90-L357 HydrophobicContact CD2-CD2 3.66Å; Y90-L357 HydrophobicContact CE2-CD2 3.51Å; Y90-L357 HydrophobicContact CG-CD2 4.44Å; F325-L357 HydrophobicContact CE2-CD2 4.41Å; F325-L357 HydrophobicContact CZ-CD2 4.3Å; R352-L357 VanDerWaalsContact CZ-CD1 3.42Å; R352-L357 VanDerWaalsContact NH2-CD1 3.27Å; T353-L357 WeakPolarHBondContact O-CB 3.39Å; T353-L357 PolarHBondContact O-N 2.59Å; Q354-L357 PolarHBondContact O-N 3.14Å; K355-L357 PolarHBondContact O-N 3.19Å; L357-E359 VanDerWaalsContact C-N 3.31Å; L357-E359 PolarHBondContact O-N 2.98Å; L357-Y360 PolarHBondContact O-N 3.4Å; L357-V361 VanDerWaalsContact O-CG2 3.31Å; L357-V361 WeakPolarHBondContact O-CG2 3.43Å; L357-V361 PolarHBondContact O-N 2.81Å
358	V	87.1	Confident	79.5	Confident	34 Å²	34	66.5 Å²	66.5	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-64.8	-34.9	178.4	169.9	0	0	0	0	111.8	Q354 K355 R362	Q354-V358 WeakPolarHBondContact O-CG2 3.49Å; Q354-V358 PolarHBondContact O-N 3.05Å; Q354-V358 VanDerWaalsContact O-N 3.09Å; K355-V358 PolarHBondContact O-N 3.3Å; V358-R362 WeakPolarHBondContact O-CB 3.2Å; V358-R362 PolarHBondContact O-N 3.36Å; V358-R362 VanDerWaalsContact O-N 3.17Å
359	E	86	Confident	78.5	Confident	56 Å²	56	65.2 Å²	65.2	26%	0.262	32%	0.324	S	S	.	.	H	α-helix	trans	-69.2	-46.7	174.2	-72.1	166.2	165	0	0	111.2	K355 L357 V361 R362 E363	K355-E359 WeakPolarHBondContact CE-OE1 3.43Å; K355-E359 WeakPolarHBondContact CG-OE2 3.34Å; K355-E359 IonicContact NZ-OE1 3.64Å; K355-E359 PolarHBondContact NZ-OE1 3.22Å; K355-E359 IonicContact NZ-OE2 3.72Å; K355-E359 PolarHBondContact NZ-OE2 3.3Å; K355-E359 WeakPolarHBondContact O-CG 3.43Å; K355-E359 PolarHBondContact O-N 3.09Å; L357-E359 VanDerWaalsContact C-N 3.31Å; L357-E359 PolarHBondContact O-N 2.98Å; E359-V361 VanDerWaalsContact C-N 3.35Å; E359-V361 PolarHBondContact O-N 2.98Å; E359-R362 WeakPolarHBondContact O-CB 3Å; E359-R362 PolarHBondContact O-N 2.75Å; E359-R362 VanDerWaalsContact O-N 3.12Å; E359-E363 WeakPolarHBondContact O-CG 3.28Å; E359-E363 PolarHBondContact O-N 2.76Å
360	Y	86.1	Confident	77.3	Confident	98 Å²	98	70.9 Å²	70.9	38%	0.384	36%	0.362	S	S	.	.	H	α-helix	trans	-57.6	-40.9	174.9	176.4	-84.2	0	0	0	113.7	I86 Q356 L357 N364	I86-Y360 HydrophobicContact CG2-CD1 4.41Å; I86-Y360 HydrophobicContact CG2-CE1 4.04Å; Q356-Y360 VanDerWaalsContact O-CB 3.22Å; Q356-Y360 WeakPolarHBondContact O-CB 3.42Å; Q356-Y360 PolarHBondContact O-N 3.07Å; L357-Y360 PolarHBondContact O-N 3.4Å; Y360-N364 WeakPolarHBondContact CD2-ND2 3.46Å; Y360-N364 VanDerWaalsContact CE2-ND2 3.28Å; Y360-N364 WeakPolarHBondContact CE2-ND2 3.47Å; Y360-N364 WeakPolarHBondContact O-CB 3.4Å; Y360-N364 PolarHBondContact O-N 2.65Å; Y360-N364 PolarHBondContact O-ND2 2.96Å; Y360-N364 VanDerWaalsContact O-ND2 3.09Å
361	V	85.2	Confident	77	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.012	36%	0.359	C	S	.	.	H	α-helix	trans	-69.4	-37.1	177.6	177.1	0	0	0	0	111	I86 E87 Q138 E139 L357 E359 G365	I86-V361 HydrophobicContact CG2-CG2 3.94Å; E87-V361 HydrophobicContact CG-CG2 3.71Å; Q138-V361 HydrophobicContact CB-CG1 3.78Å; Q138-V361 HydrophobicContact CG-CG1 4.25Å; E139-V361 HydrophobicContact CG-CG1 4.5Å; L357-V361 VanDerWaalsContact O-CG2 3.31Å; L357-V361 WeakPolarHBondContact O-CG2 3.43Å; L357-V361 PolarHBondContact O-N 2.81Å; E359-V361 VanDerWaalsContact C-N 3.35Å; E359-V361 PolarHBondContact O-N 2.98Å; V361-G365 WeakPolarHBondContact O-CA 3.23Å; V361-G365 PolarHBondContact O-N 3.5Å
362	R	81.7	Confident	76.1	Confident	182 Å²	182	79.5 Å²	79.5	69%	0.687	39%	0.391	S	S	*	.	H	α-helix	trans	-63	-42.7	175.3	-172.3	-174	-59.5	145.1	7.3	111.8	V358 E359	V358-R362 WeakPolarHBondContact O-CB 3.2Å; V358-R362 PolarHBondContact O-N 3.36Å; V358-R362 VanDerWaalsContact O-N 3.17Å; E359-R362 WeakPolarHBondContact O-CB 3Å; E359-R362 PolarHBondContact O-N 2.75Å; E359-R362 VanDerWaalsContact O-N 3.12Å
363	E	79.7	Confident	75.3	Confident	152 Å²	152	78.7 Å²	78.7	71%	0.71	39%	0.388	S	S	*	.	H	α-helix	trans	-71.2	-41.5	180	-70.8	165.3	-165.9	0	0	112.5	E359	E359-E363 WeakPolarHBondContact O-CG 3.28Å; E359-E363 PolarHBondContact O-N 2.76Å
364	N	74.8	Confident	73.7	Confident	54 Å²	54	85.8 Å²	85.8	29%	0.289	42%	0.419	S	S	.	.	H	α-helix	trans	-91.2	-1.1	-176.4	-69.8	-64.1	0	0	0	114.9	Y360 A366 K367	Y360-N364 WeakPolarHBondContact CD2-ND2 3.46Å; Y360-N364 VanDerWaalsContact CE2-ND2 3.28Å; Y360-N364 WeakPolarHBondContact CE2-ND2 3.47Å; Y360-N364 WeakPolarHBondContact O-CB 3.4Å; Y360-N364 PolarHBondContact O-N 2.65Å; Y360-N364 PolarHBondContact O-ND2 2.96Å; Y360-N364 VanDerWaalsContact O-ND2 3.09Å; N364-A366 PolarHBondContact O-N 3.16Å; N364-K367 PolarHBondContact O-N 3Å
365	G	60	Low	72.1	Confident	19 Å²	19	88.4 Å²	88.4	20%	0.196	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-58.6	-12.8	-175.1	0	0	0	0	0	116.1	V361 K367 R368	V361-G365 WeakPolarHBondContact O-CA 3.23Å; V361-G365 PolarHBondContact O-N 3.5Å; G365-K367 VanDerWaalsContact C-N 3.28Å; G365-K367 PolarHBondContact O-N 3.31Å; G365-R368 WeakPolarHBondContact O-CD 3.5Å; G365-R368 WeakPolarHBondContact O-CG 2.94Å
366	A	51.1	Low	70.6	Confident	104 Å²	104	86.3 Å²	86.3	86%	0.86	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-73	-13.1	172	0	0	0	0	0	114.2	N364	N364-A366 PolarHBondContact O-N 3.16Å
367	K	54	Low	69	Low	172 Å²	172	90.7 Å²	90.7	75%	0.748	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-102.6	23.6	-177.7	-64.2	179.2	-179.8	170.3	0	113.7	N364 G365 T369	N364-K367 PolarHBondContact O-N 3Å; G365-K367 VanDerWaalsContact C-N 3.28Å; G365-K367 PolarHBondContact O-N 3.31Å; K367-T369 PolarHBondContact O-N 2.58Å
368	R	62.5	Low	67.2	Low	123 Å²	123	93.5 Å²	93.5	46%	0.464	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-68.8	118.8	-177.2	-78.1	172.1	172.7	150.5	-0.5	112.5	E139 G365	E139-R368 IonicContact OE1-CZ 2.66Å; E139-R368 IonicContact OE1-NE 3.18Å; E139-R368 PolarHBondContact OE1-NE 3.43Å; E139-R368 IonicContact OE1-NH2 3.22Å; E139-R368 PolarHBondContact OE1-NH2 2.95Å; E139-R368 IonicContact OE2-NE 2.67Å; E139-R368 PolarHBondContact OE2-NE 2.71Å; G365-R368 WeakPolarHBondContact O-CD 3.5Å; G365-R368 WeakPolarHBondContact O-CG 2.94Å
369	T	56.7	Low	65	Low	87 Å²	87	103.2 Å²	103.2	53%	0.534	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-87.7	129.4	159.9	45.5	0	0	0	0	109.6	N84 K367 Y371	N84-T369 PolarHBondContact ND2-OG1 3.34Å; K367-T369 PolarHBondContact O-N 2.58Å; T369-Y371 PolarHBondContact O-N 3.11Å
370	P	59.4	Low	62.4	Low	132 Å²	132	108.4 Å²	108.4	86%	0.857	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-57.5	132.1	170.7	-23.2	34	0	0	0	111
371	Y	72.1	Confident	59.7	Low	63 Å²	63	108 Å²	108	25%	0.247	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-84.4	150.8	173.7	85.3	-75.1	0	0	0	110.2	E140 Y141 Y144 T369 R373	E140-Y371 HydrophobicContact CB-CE1 3.89Å; E140-Y371 HydrophobicContact CG-CE1 3.85Å; E140-Y371 WeakPolarHBondContact OE1-CE1 3.49Å; E140-Y371 VanDerWaalsContact OE1-CZ 3.28Å; E140-Y371 PolarHBondContact OE1-OH 2.85Å; Y141-Y371 AromaticContact CD2-CD2 3.43Å; Y141-Y371 HydrophobicContact CD2-CD2 3.43Å; Y141-Y371 VanDerWaalsContact CD2-CD2 3.43Å; Y141-Y371 HydrophobicContact CD2-CE2 4.06Å; Y141-Y371 AromaticContact CD2-CG 3.88Å; Y141-Y371 HydrophobicContact CD2-CG 3.88Å; Y141-Y371 HydrophobicContact CE2-CD2 4.25Å; Y141-Y371 HydrophobicContact CG-CD2 4.13Å; Y141-Y371 HydrophobicContact CG-CG 4.13Å; Y144-Y371 HydrophobicContact CD1-CE2 4.38Å; T369-Y371 PolarHBondContact O-N 3.11Å; Y371-R373 HydrophobicContact CE2-CG 3.83Å; Y371-R373 PolarHBondContact OH-NE 3.09Å; Y371-R373 PolarHBondContact OH-NH2 2.99Å
372	Q	63.7	Low	57	Low	180 Å²	180	112.2 Å²	112.2	84%	0.841	57%	0.57	S	S	*	*			trans	-124.7	132.9	176.2	-168.4	174.4	8.8	0	0	109.6	K374	Q372-K374 PolarHBondContact O-N 3.34Å
373	R	72.8	Confident	54.6	Low	35 Å²	35	114.9 Å²	114.9	13%	0.132	58%	0.58	C	S	.	*			trans	-73	108.5	179.5	-64.8	179.8	-172	-125.5	-11.6	109.6	S176 P218 D222 Y371 N375	S176-R373 PolarHBondContact O-NH1 2.94Å; P218-R373 VanDerWaalsContact CB-CZ 3.41Å; D222-R373 IonicContact OD1-NH1 3.09Å; D222-R373 IonicContact OD2-CZ 3.7Å; D222-R373 IonicContact OD2-NH1 2.64Å; D222-R373 PolarHBondContact OD2-NH1 3Å; D222-R373 IonicContact OD2-NH2 3.69Å; D222-R373 PolarHBondContact OD2-NH2 3.09Å; Y371-R373 HydrophobicContact CE2-CG 3.83Å; Y371-R373 PolarHBondContact OH-NE 3.09Å; Y371-R373 PolarHBondContact OH-NH2 2.99Å; R373-N375 PolarHBondContact O-N 2.98Å
374	K	59.5	Low	52.3	Low	149 Å²	149	111.7 Å²	111.7	65%	0.648	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-28.1	-179.2	-67.6	-179.9	-179.6	174.3	0	113.9	E62 Q372	E62-K374 IonicContact OE1-NZ 2.96Å; E62-K374 PolarHBondContact OE1-NZ 3.45Å; E62-K374 VanDerWaalsContact OE1-NZ 3.09Å; Q372-K374 PolarHBondContact O-N 3.34Å
375	N	57.2	Low	50.2	Low	85 Å²	85	118.5 Å²	118.5	46%	0.455	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.6	-4.7	-167.3	-63.1	-10.1	0	0	0	115.3	R373 K377	R373-N375 PolarHBondContact O-N 2.98Å; N375-K377 PolarHBondContact O-N 3.12Å
376	S	55.7	Low	48.7	Very low	38 Å²	38	123.6 Å²	123.6	27%	0.266	63%	0.63	S	S	.	*			trans	-74.6	130.5	-172.5	-177.3	0	0	0	0	112	E177 V378	E177-S376 WeakPolarHBondContact O-CA 3.41Å; E177-S376 WeakPolarHBondContact O-CB 3.22Å; E177-S376 PolarHBondContact O-OG 3.33Å; S376-V378 VanDerWaalsContact C-N 3.31Å; S376-V378 VanDerWaalsContact OG-CG2 3.3Å; S376-V378 WeakPolarHBondContact OG-CG2 3.41Å; S376-V378 PolarHBondContact OG-N 3.18Å
377	K	53.8	Low	47.8	Very low	139 Å²	139	124.5 Å²	124.5	60%	0.604	63%	0.63	S	S	*	*			trans	-85.6	4.9	177.9	-81.9	-169.7	176.5	-175.4	0	113.7	E177 I178 E188 N375 R379	E177-K377 PolarHBondContact O-N 2.95Å; I178-K377 HydrophobicContact CG2-CB 4.42Å; E188-K377 IonicContact OE1-NZ 3.52Å; E188-K377 PolarHBondContact OE1-NZ 2.96Å; N375-K377 PolarHBondContact O-N 3.12Å; K377-R379 PolarHBondContact O-N 3.44Å
378	V	53.1	Low	46.5	Very low	59 Å²	59	123.7 Å²	123.7	36%	0.358	63%	0.634	S	S	.	*			trans	-51.7	113.5	-175.3	167.8	0	0	0	0	111.1	I178 S376 M380	I178-V378 WeakPolarHBondContact O-CG2 3.45Å; S376-V378 VanDerWaalsContact C-N 3.31Å; S376-V378 VanDerWaalsContact OG-CG2 3.3Å; S376-V378 WeakPolarHBondContact OG-CG2 3.41Å; S376-V378 PolarHBondContact OG-N 3.18Å; V378-M380 PolarHBondContact O-N 3.09Å
379	R	39.6	Very low	44.8	Very low	238 Å²	238	126.1 Å²	126.1	90%	0.898	65%	0.652	S	S	*	*			trans	-64.3	107.6	172.9	-85.8	-178.8	166.6	172.1	-3.3	109	K377 S381	K377-R379 PolarHBondContact O-N 3.44Å; R379-S381 PolarHBondContact O-N 3.27Å
380	M	32.3	Very low	43.4	Very low	165 Å²	165	127.5 Å²	127.5	81%	0.813	66%	0.663	S	S	*	*			trans	-63.8	100.6	170.8	-62.8	-128.7	74.7	0	0	109.5	V378 A382	V378-M380 PolarHBondContact O-N 3.09Å; M380-A382 PolarHBondContact O-N 2.88Å
381	S	29.5	Very low	41.8	Very low	91 Å²	91	130.2 Å²	130.2	64%	0.636	66%	0.661	S	S	*	*			trans	-64.7	122.8	176.7	-173.4	0	0	0	0	109.6	R379 R383	R379-S381 PolarHBondContact O-N 3.27Å; S381-R383 PolarHBondContact O-N 3.46Å
382	A	27.6	Very low	39.7	Very low	89 Å²	89	135 Å²	135	74%	0.736	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	52.8	-167.6	0	0	0	0	0	113.9	M380	M380-A382 PolarHBondContact O-N 2.88Å
383	R	32.4	Very low	37.8	Very low	238 Å²	238	131.2 Å²	131.2	90%	0.898	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	1.7	174.7	-73.4	-170.7	173.8	-176.5	-1.3	114.2	S381	S381-R383 PolarHBondContact O-N 3.46Å
384	S	31.1	Very low	35.6	Very low	85 Å²	85	136.7 Å²	136.7	59%	0.594	71%	0.706	S	S	*	*			trans	-104.8	40.4	-177.7	48.6	0	0	0	0	114.2
385	F	30.4	Very low	33.9	Very low	198 Å²	198	133.8 Å²	133.8	87%	0.868	71%	0.705	S	S	*	*			trans	-102.2	59.1	170.7	-82.2	-71.3	0	0	0	112.3
386	T	27.8	Very low	32.4	Very low	126 Å²	126	138.9 Å²	138.9	77%	0.773	72%	0.723	S	S	*	*	S	Bend	trans	-129.4	119.3	161.5	50.4	0	0	0	0	108.2	D388	T386-D388 PolarHBondContact O-N 3.12Å; T386-D388 VanDerWaalsContact O-N 3.12Å
387	S	33.6	Very low	31.1	Very low	122 Å²	122	142 Å²	142	85%	0.853	75%	0.745	S	S	*	*			trans	-76.9	97.2	-175.8	170	0	0	0	0	111.7
388	D	25.1	Very low	29.7	Very low	155 Å²	155	141.4 Å²	141.4	83%	0.829	75%	0.748	S	S	*	*			trans	-149.4	114.3	146.1	-105.3	-35.6	0	0	0	110.1	T386	T386-D388 PolarHBondContact O-N 3.12Å; T386-D388 VanDerWaalsContact O-N 3.12Å
389	M	28	Very low	28.5	Very low	175 Å²	175	143.3 Å²	143.3	86%	0.862	76%	0.764	S	S	*	*			trans	-101.7	114.7	179.7	-85.3	-73.8	171.7	0	0	110	K391	M389-K391 PolarHBondContact O-N 3.16Å
390	P	26.1	Very low	28.1	Very low	116 Å²	116	138.1 Å²	138.1	75%	0.753	76%	0.762	S	S	*	*			trans	-65.5	121.2	174.1	-14.6	27.9	0	0	0	109.8	Q392	P390-Q392 PolarHBondContact O-N 2.88Å; P390-Q392 VanDerWaalsContact O-N 3.12Å
391	K	27.4	Very low	27.7	Very low	189 Å²	189	142.3 Å²	142.3	82%	0.822	77%	0.768	S	S	*	*			trans	-63.3	114.3	170.6	-68.3	176.1	-179	173	0	108.5	M389 T393	M389-K391 PolarHBondContact O-N 3.16Å; K391-T393 PolarHBondContact O-N 3.23Å
392	Q	27.6	Very low	27.6	Very low	162 Å²	162	142.3 Å²	142.3	76%	0.757	77%	0.774	S	S	*	*			trans	-69.2	79.9	171.7	-77.1	-167.7	0.5	0	0	111	P390	P390-Q392 PolarHBondContact O-N 2.88Å; P390-Q392 VanDerWaalsContact O-N 3.12Å
393	T	23	Very low	27.6	Very low	101 Å²	101	144.1 Å²	144.1	62%	0.62	78%	0.778	S	S	*	*			trans	-105.8	101.1	166.8	-51.6	0	0	0	0	107.1	K391 S395	K391-T393 PolarHBondContact O-N 3.23Å; T393-S395 PolarHBondContact O-N 2.95Å
394	L	26.8	Very low	27.2	Very low	150 Å²	150	139.1 Å²	139.1	79%	0.785	78%	0.778	S	S	*	*			trans	-76.7	64.6	175.9	-72.7	174.1	0	0	0	111.4	F396	L394-F396 HydrophobicContact CB-CE2 4.44Å; L394-F396 HydrophobicContact CD2-CE2 4.2Å
395	S	22.9	Very low	26.9	Very low	89 Å²	89	139.7 Å²	139.7	62%	0.622	78%	0.782	S	S	*	*			trans	-83.1	105.5	166.9	50.4	0	0	0	0	109.7	T393 S397	T393-S395 PolarHBondContact O-N 2.95Å; S395-S397 PolarHBondContact O-N 3.06Å
396	F	26.6	Very low	26.5	Very low	192 Å²	192	138.9 Å²	138.9	84%	0.842	79%	0.786	S	S	*	*			trans	-87.8	97.2	-179.9	-90.7	-87.6	0	0	0	112.5	L394	L394-F396 HydrophobicContact CB-CE2 4.44Å; L394-F396 HydrophobicContact CD2-CE2 4.2Å
397	S	27.8	Very low	26.4	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	78%	0.784	S	S	*	*			trans	177.6	137.7	167.5	51.7	0	0	0	0	108.4	S395	S395-S397 PolarHBondContact O-N 3.06Å
398	D	25.7	Very low	25.9	Very low	125 Å²	125	137.3 Å²	137.3	67%	0.668	78%	0.78	S	S	*	*			cis	-166.2	162.8	-8.5	-162.5	-27.3	0	0	0	108.1
399	S	26.8	Very low	25.8	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	78%	0.78	S	S	*	*			trans	64.1	124.8	156.2	-65.9	0	0	0	0	120.6
400	P	31.2	Very low	25.6	Very low	130 Å²	130	132.4 Å²	132.4	84%	0.844	78%	0.776	S	S	*	*			trans	-83.4	141.6	167.3	33.8	-32.4	0	0	0	112.4
401	R	24.7	Very low	25.5	Very low	252 Å²	252	136.1 Å²	136.1	95%	0.951	78%	0.783	S	S	*	*			trans	-104.2	146.5	160.3	-81.3	-175.3	175	168.8	-0.4	110.1
402	A	27.7	Very low	25.2	Very low	92 Å²	92	132.7 Å²	132.7	76%	0.76	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-74.8	154.6	-176.1	0	0	0	0	0	113.3
403	P	27.4	Very low	25	Very low	127 Å²	127	133.9 Å²	133.9	83%	0.825	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-67.5	150	161.2	-12.4	28.4	0	0	0	111.1
404	C	23.6	Very low	24.8	Very low	132 Å²	132	136.3 Å²	136.3	89%	0.892	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-75.5	149.3	174.9	-68.8	0	0	0	0	112.6
405	S	24.8	Very low	25.2	Very low	98 Å²	98	135.1 Å²	135.1	69%	0.685	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-80.8	144.3	179.9	50.4	0	0	0	0	113.4	S407	S405-S407 PolarHBondContact OG-OG 3.48Å
406	L	22.9	Very low	25.1	Very low	181 Å²	181	134.7 Å²	134.7	95%	0.948	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-80.1	141.2	149.2	-73	163.6	0	0	0	108.1
407	S	24.5	Very low	24.9	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	80%	0.798	S	S	*	*			trans	-144.3	120.6	-175.5	-60.3	0	0	0	0	113	S405	S405-S407 PolarHBondContact OG-OG 3.48Å
408	S	23.5	Very low	24.7	Very low	111 Å²	111	136.6 Å²	136.6	78%	0.776	80%	0.799	S	S	*	*			trans	-160.2	134.2	160	-159	0	0	0	0	105.8
409	T	23.1	Very low	24.6	Very low	134 Å²	134	135.6 Å²	135.6	82%	0.822	80%	0.797	S	S	*	*			cis	-144.2	155.2	-0.8	-22.6	0	0	0	0	107.9
410	A	24.5	Very low	24.4	Very low	93 Å²	93	141.3 Å²	141.3	77%	0.769	80%	0.804	S	S	*	*			trans	-99.7	145.1	173.5	0	0	0	0	0	110.8
411	E	22.3	Very low	24	Very low	194 Å²	194	142.1 Å²	142.1	91%	0.907	80%	0.799	S	S	*	*			trans	-151.8	175.5	153.9	-133.3	168.4	-136.8	0	0	111
412	S	22.2	Very low	24.1	Very low	116 Å²	116	139.3 Å²	139.3	81%	0.811	79%	0.794	S	S	*	*			trans	-110.5	168.2	-134.9	-58.2	0	0	0	0	116.6
413	F	22.4	Very low	24.5	Very low	188 Å²	188	140.2 Å²	140.2	83%	0.825	79%	0.793	S	S	*	*			trans	-81.3	141	178.4	-85.3	-94.6	0	0	0	114.4
414	L	20.3	Very low	24.5	Very low	151 Å²	151	144.9 Å²	144.9	79%	0.791	79%	0.794	S	S	*	*			trans	71.3	163.4	146.8	-67.5	167.4	0	0	0	118.4
415	P	33.4	Very low	24.7	Very low	125 Å²	125	143.8 Å²	143.8	81%	0.812	78%	0.783	S	S	*	*			cis	-127.4	179.5	7.3	41	-24.7	0	0	0	117.6
416	A	21.9	Very low	24.7	Very low	81 Å²	81	146 Å²	146	67%	0.669	78%	0.783	S	S	*	*			trans	-56.5	154.2	-173.4	0	0	0	0	0	119.9
417	H	23	Very low	24.8	Very low	183 Å²	183	145.2 Å²	145.2	85%	0.847	78%	0.778	S	S	*	*				-167.2	115.2	125.7	-111.9	-93.7	0	0	0	108.5
418	M	22.5	Very low	24.7	Very low	153 Å²	153	148.7 Å²	148.7	75%	0.754	78%	0.783	S	S	*	*				67.2	113.9	84.2	-93.5	-67.4	-168.7	0	0	117.4
419	T	23.4	Very low	25.4	Very low	104 Å²	104	148.6 Å²	148.6	64%	0.638	78%	0.78	S	S	*	*			trans	70.6	118.1	148.4	47.3	0	0	0	0	124.2
420	R	23.3	Very low	25.5	Very low	218 Å²	218	150 Å²	150	82%	0.823	78%	0.778	S	S	*	*				91.5	130.6	118.4	-78.9	177.2	-179.2	-174.8	1.4	123
421	I	23.5	Very low	25.5	Very low	147 Å²	147	152.9 Å²	152.9	75%	0.754	78%	0.779	S	S	*	*			trans	93.9	117.9	131.9	-73.8	167.6	0	0	0	120.3
422	F	25.2	Very low	25.6	Very low	193 Å²	193	150.7 Å²	150.7	85%	0.846	77%	0.769	S	S	*	*			trans	-49.9	165.8	160.1	-77.2	-90.3	0	0	0	114.8
423	P	36.8	Very low	26.4	Very low	112 Å²	112	151.2 Å²	151.2	73%	0.727	77%	0.769	S	S	*	*				-147	150.5	100.9	37	-22.1	0	0	0	116.2
424	R	27.6	Very low	26.5	Very low	224 Å²	224	150.6 Å²	150.6	85%	0.845	77%	0.767	S	S	*	*			trans	52.1	149.9	142.5	-73.6	-175.1	157.4	171.9	-7.2	121.2
425	T	26.7	Very low	26.7	Very low	109 Å²	109	149.6 Å²	149.6	67%	0.669	77%	0.772	S	S	*	*			cis	-170.6	-157	-39.7	20.5	0	0	0	0	104.2
426	E	26.6	Very low	26.3	Very low	145 Å²	145	148 Å²	148	68%	0.678	77%	0.77	S	S	*	*			cis	-158.3	143.3	0.8	-142	141.6	-71.7	0	0	106.4
427	L	23.5	Very low	26.5	Very low	164 Å²	164	152.6 Å²	152.6	86%	0.859	78%	0.782	S	S	*	*				-175.7	166.6	93.7	-99.1	163.7	0	0	0	111.7
428	Q	24.1	Very low	26.6	Very low	178 Å²	178	148.8 Å²	148.8	83%	0.832	78%	0.776	S	S	*	*			trans	-86.4	-178.8	-171.8	-71.9	175.9	-22.8	0	0	113.8
429	P	37.8	Very low	27.1	Very low	109 Å²	109	147.6 Å²	147.6	71%	0.708	78%	0.78	S	S	*	*			cis	-131.5	-170.5	6.9	23.8	4	0	0	0	114
430	Q	24.5	Very low	27.1	Very low	164 Å²	164	147.9 Å²	147.9	77%	0.766	79%	0.786	S	S	*	*			cis	-158.1	160.8	-6.5	-124.6	166.4	-43.1	0	0	112.8
431	L	24.3	Very low	28.2	Very low	152 Å²	152	142.6 Å²	142.6	80%	0.796	78%	0.78	S	S	*	*			trans	41.3	135.6	146.7	-75.1	166.4	0	0	0	125.6
432	Q	24	Very low	28.4	Very low	149 Å²	149	140.2 Å²	140.2	70%	0.696	78%	0.782	S	S	*	*			trans	-97.9	-174.9	155.9	-57.6	175.1	-34.4	0	0	110.4
433	P	39.6	Very low	28.5	Very low	127 Å²	127	135.1 Å²	135.1	83%	0.825	78%	0.776	S	S	*	*				-147.5	177.4	86.9	39.1	-21.1	0	0	0	116.6
434	F	23.8	Very low	28.1	Very low	175 Å²	175	137.6 Å²	137.6	77%	0.768	78%	0.778	S	S	*	*			trans	-78.1	160.8	-179.4	-66.4	-111.3	0	0	0	114.2
435	S	24.9	Very low	28.1	Very low	129 Å²	129	134.6 Å²	134.6	90%	0.902	77%	0.773	S	S	*	*				-168.2	159.5	121.3	-82.2	0	0	0	0	111.6
436	A	25.9	Very low	28	Very low	93 Å²	93	137 Å²	137	77%	0.769	78%	0.781	S	S	*	*			trans	-123.1	155.8	178.8	0	0	0	0	0	110.8
437	L	24.9	Very low	28.9	Very low	176 Å²	176	134.9 Å²	134.9	92%	0.921	78%	0.78	S	S	*	*			trans	-174.3	152.1	149.6	-104.6	161	0	0	0	111.6
438	S	25.3	Very low	29.1	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	78%	0.779	S	S	*	*			trans	-86.7	164.2	166.9	-41.8	0	0	0	0	109.8
439	P	33.8	Very low	29.2	Very low	128 Å²	128	132.1 Å²	132.1	83%	0.831	78%	0.775	S	S	*	*				-150.8	-178.2	78.2	40.8	-21.4	0	0	0	116.4
440	S	23.8	Very low	29.5	Very low	110 Å²	110	132.4 Å²	132.4	77%	0.769	78%	0.776	S	S	*	*			trans	-94.3	-170.5	162.9	-137.3	0	0	0	0	109.1
441	P	46.4	Very low	29.6	Very low	107 Å²	107	129.4 Å²	129.4	70%	0.695	78%	0.78	S	S	*	*			cis	-139	-173.4	0.8	42.7	-24.1	0	0	0	116
442	A	26.4	Very low	29.8	Very low	96 Å²	96	125.7 Å²	125.7	79%	0.793	78%	0.778	S	S	*	*			trans	66.1	156.7	147	0	0	0	0	0	119.9
443	A	27.2	Very low	29.9	Very low	87 Å²	87	123.9 Å²	123.9	72%	0.719	79%	0.788	S	S	*	*			cis	-168.4	-176.6	-23.8	0	0	0	0	0	110.1
444	Q	29.3	Very low	29.3	Very low	164 Å²	164	123 Å²	123	77%	0.766	79%	0.792	S	S	*	*			trans	88.8	116.1	161	-57	-175	-8.9	0	0	120.4
445	Q	27.4	Very low	29.5	Very low	160 Å²	160	126 Å²	126	75%	0.748	80%	0.798	S	S	*	*			trans	63.2	117.4	130.9	-62.3	172.4	1.4	0	0	118.9
446	L	25.2	Very low	31	Very low	160 Å²	160	125.3 Å²	125.3	84%	0.838	79%	0.791	S	S	*	*				71	150.8	69.1	-75.8	166.3	0	0	0	113.7
447	P	44.6	Very low	31.7	Very low	101 Å²	101	126.6 Å²	126.6	66%	0.656	79%	0.791	S	S	*	*			cis	-136.9	-162.5	-3.3	25.1	1.9	0	0	0	114.5
448	Q	27.9	Very low	31.8	Very low	178 Å²	178	123.2 Å²	123.2	83%	0.832	78%	0.782	S	S	*	*			trans	91.1	98	153.4	-52.5	-167.8	5.6	0	0	121
449	S	26.2	Very low	33	Very low	106 Å²	106	123.6 Å²	123.6	74%	0.741	78%	0.782	S	S	*	*			trans	-52	167.6	138.2	53.9	0	0	0	0	112.9
450	P	43.4	Very low	32.7	Very low	115 Å²	115	122.8 Å²	122.8	75%	0.747	78%	0.78	S	S	*	*			cis	-159.5	174.7	45.8	45.4	-23.5	0	0	0	121.7
451	A	27.1	Very low	33	Very low	101 Å²	101	124.8 Å²	124.8	84%	0.835	77%	0.774	S	S	*	*			trans	64.1	155.7	140.5	0	0	0	0	0	123.7
452	G	28.3	Very low	32.1	Very low	74 Å²	74	126.3 Å²	126.3	76%	0.763	77%	0.772	S	S	*	*			trans	85.4	102.2	164.7	0	0	0	0	0	115.4
453	A	27	Very low	32.2	Very low	110 Å²	110	128.3 Å²	128.3	91%	0.909	77%	0.77	S	S	*	*			cis	79.1	83.5	28.2	0	0	0	0	0	116.3
454	A	26.9	Very low	32.2	Very low	109 Å²	109	128.2 Å²	128.2	90%	0.901	76%	0.763	S	S	*	*			trans	-165.1	159.9	152.2	0	0	0	0	0	113.3
455	R	28.1	Very low	32.2	Very low	239 Å²	239	127 Å²	127	90%	0.902	76%	0.761	S	S	*	*			trans	-142	169.1	176.6	-131	-169	179.4	-173.2	-0.1	106.1
456	P	55.4	Low	32.3	Very low	114 Å²	114	128.8 Å²	128.8	74%	0.74	77%	0.766	S	S	*	*			cis	-110.4	-138.4	-35.2	39.9	-21.2	0	0	0	108.6
457	P	41.3	Very low	32.3	Very low	120 Å²	120	126 Å²	126	78%	0.779	77%	0.766	S	S	*	*			cis	-137.3	-151.5	35.9	42.1	-19.2	0	0	0	115.5
458	S	26.6	Very low	31.5	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	78%	0.775	S	S	*	*			trans	-136.8	-158.2	-174.8	59.9	0	0	0	0	109.1
459	P	50.8	Low	33	Very low	111 Å²	111	124.9 Å²	124.9	72%	0.721	77%	0.772	S	S	*	*			cis	-141.1	-151.1	-12.2	41.8	-20.3	0	0	0	114.4
460	S	27.7	Very low	34	Very low	112 Å²	112	125.7 Å²	125.7	78%	0.783	77%	0.774	S	S	*	*			trans	90.1	149	164	77	0	0	0	0	117.9
461	K	29.3	Very low	33.2	Very low	152 Å²	152	124.8 Å²	124.8	66%	0.661	77%	0.77	S	S	*	*			cis	-145.4	162.4	24.5	-76.9	174.5	137.3	-74.2	0	114.3
462	E	28	Very low	33.3	Very low	139 Å²	139	127.4 Å²	127.4	65%	0.65	77%	0.765	S	S	*	*			trans	34.8	159.5	144.4	-71.2	118.8	-112.2	0	0	123.5
463	D	28.9	Very low	33.3	Very low	138 Å²	138	132.5 Å²	132.5	74%	0.738	77%	0.767	S	S	*	*			cis	178.4	173.9	-31.9	-120.6	-80	0	0	0	107.9
464	S	27.1	Very low	33.3	Very low	84 Å²	84	131.5 Å²	131.5	59%	0.587	75%	0.753	S	S	*	*			cis	-164.3	174.6	-1	-143.9	0	0	0	0	114.3
465	I	29.1	Very low	33.3	Very low	139 Å²	139	134.7 Å²	134.7	71%	0.713	75%	0.749	S	S	*	*			trans	63.7	109.8	146.3	-70.8	157	0	0	0	124.5
466	K	29.9	Very low	33.3	Very low	197 Å²	197	130.4 Å²	130.4	86%	0.857	74%	0.739	S	S	*	*			trans	41.1	131.6	134	-52.1	176.5	-177.7	175	0	124.8
467	A	24.7	Very low	31.9	Very low	101 Å²	101	131.1 Å²	131.1	84%	0.835	74%	0.737	S	S	*	*				178.9	161.9	113.1	0	0	0	0	0	114.1
468	V	28.1	Very low	31.3	Very low	140 Å²	140	130 Å²	130	85%	0.848	73%	0.732	S	S	*	*			trans	-162.2	156.9	-172.4	158.9	0	0	0	0	107.7
469	P	59.4	Low	31.3	Very low	117 Å²	117	130.8 Å²	130.8	76%	0.76	73%	0.732	S	S	*	*			cis	-118.5	-135.3	8.8	33.8	-8.6	0	0	0	111
470	P	46.6	Very low	30.3	Very low	123 Å²	123	133.3 Å²	133.3	80%	0.799	74%	0.736	S	S	*	*			cis	-134.5	-145	-3.3	44.4	-22	0	0	0	115.9
471	S	26.4	Very low	30.1	Very low	95 Å²	95	134.8 Å²	134.8	66%	0.664	74%	0.735	S	S	*	*			trans	-156	168.4	-164.5	52.4	0	0	0	0	116.3
472	H	30.8	Very low	29.9	Very low	157 Å²	157	134 Å²	134	73%	0.727	74%	0.738	S	S	*	*			trans	117.2	147.1	151.5	-75.6	-84.9	0	0	0	123.3
473	F	27.4	Very low	30.5	Very low	180 Å²	180	132.5 Å²	132.5	79%	0.789	74%	0.74	S	S	*	*			trans	90.7	97.1	145.4	-75.2	-55.3	0	0	0	125.9
474	S	26.9	Very low	30.3	Very low	89 Å²	89	133.9 Å²	133.9	62%	0.622	74%	0.742	S	S	*	*				67.4	134.2	116.3	62.5	0	0	0	0	128.4
475	H	27.4	Very low	30.2	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.815	75%	0.749	S	S	*	*			trans	67.4	159.5	147.2	-72.6	-61.2	0	0	0	120.2
476	Q	27.1	Very low	30	Very low	149 Å²	149	134.8 Å²	134.8	70%	0.696	75%	0.75	S	S	*	*			cis	-160	163.1	11.8	-136.9	172.6	-71.9	0	0	113.8
477	D	26.9	Very low	30.6	Very low	129 Å²	129	130.6 Å²	130.6	69%	0.69	74%	0.743	S	S	*	*			trans	59.6	157.7	148.7	-67.6	-15.4	0	0	0	124.6
478	S	28.3	Very low	30.5	Very low	97 Å²	97	133.4 Å²	133.4	68%	0.678	74%	0.742	S	S	*	*			cis	-174.1	174.1	-20.6	62.4	0	0	0	0	115.4
479	V	26.3	Very low	30.3	Very low	122 Å²	122	132.1 Å²	132.1	74%	0.739	74%	0.735	S	S	*	*			trans	90.5	126.3	149.5	168.5	0	0	0	0	125
480	M	29.5	Very low	28.5	Very low	164 Å²	164	131.3 Å²	131.3	81%	0.808	73%	0.732	S	S	*	*			trans	59.1	157	153.8	-83.7	164.7	154.3	0	0	122.9
481	D	24.1	Very low	27.6	Very low	142 Å²	142	135 Å²	135	76%	0.759	74%	0.736	S	S	*	*			cis	-146.6	-176.8	10.4	-144.9	-21.6	0	0	0	115.1
482	N	24.1	Very low	27.5	Very low	136 Å²	136	134 Å²	134	73%	0.727	74%	0.74	S	S	*	*			trans	-106	-158.8	-177.5	-138.3	-6.6	0	0	0	111.8
483	P	40.6	Very low	27.9	Very low	107 Å²	107	132.1 Å²	132.1	70%	0.695	74%	0.742	S	S	*	*			cis	-139.5	160.2	7.4	44.2	-25	0	0	0	119.8
484	Q	26.4	Very low	27.8	Very low	167 Å²	167	132 Å²	132	78%	0.78	75%	0.748	S	S	*	*			trans	49.7	164.6	139.4	-73.7	-172.1	-26.1	0	0	122.4
485	L	24.2	Very low	27.6	Very low	140 Å²	140	133.2 Å²	133.2	73%	0.733	76%	0.757	S	S	*	*			cis	-155.5	-171.1	16.8	-130.4	150.7	0	0	0	111.8
486	S	25.4	Very low	27.4	Very low	103 Å²	103	132.6 Å²	132.6	72%	0.72	76%	0.759	S	S	*	*			trans	-141.6	-162.6	173.7	-52.1	0	0	0	0	108.6
487	P	42.9	Very low	27.7	Very low	109 Å²	109	131.4 Å²	131.4	71%	0.708	77%	0.767	S	S	*	*			cis	-142	-165.8	-7.3	41.9	-21	0	0	0	115.8
488	L	22.1	Very low	27.9	Very low	159 Å²	159	130.6 Å²	130.6	83%	0.832	77%	0.769	S	S	*	*			trans	69.2	155.8	155	-110.7	64.2	0	0	0	118.2
489	T	22.6	Very low	27.6	Very low	113 Å²	113	130.3 Å²	130.3	69%	0.693	77%	0.767	S	S	*	*			cis	-155.5	148.5	20.5	37.4	0	0	0	0	114.5
490	S	22.9	Very low	27.5	Very low	100 Å²	100	133.3 Å²	133.3	70%	0.699	77%	0.77	S	S	*	*				41.7	148.3	128.2	118.9	0	0	0	0	123.2
491	K	27	Very low	27.2	Very low	202 Å²	202	133.6 Å²	133.6	88%	0.878	77%	0.77	S	S	*	*			cis	-171.7	138	5.8	-124.1	167.4	-172.4	179.2	0	114.6
492	G	23.7	Very low	27.1	Very low	73 Å²	73	134.2 Å²	134.2	75%	0.753	77%	0.77	S	S	*	*			trans	80.4	172.4	138.6	0	0	0	0	0	121.2
493	P	39.9	Very low	27.1	Very low	118 Å²	118	132.3 Å²	132.3	77%	0.766	77%	0.767	S	S	*	*			cis	-134.6	168.2	-1.7	43.8	-28.6	0	0	0	116.9
494	L	25.8	Very low	26.5	Very low	176 Å²	176	133.2 Å²	133.2	92%	0.921	77%	0.771	S	S	*	*			trans	64.4	143.6	169.2	-52.7	178.2	0	0	0	117.2
495	S	23.2	Very low	26.3	Very low	115 Å²	115	133.8 Å²	133.8	80%	0.804	78%	0.778	S	S	*	*			cis	-117.1	172.8	4	62.4	0	0	0	0	112.3
496	L	22.7	Very low	26.3	Very low	164 Å²	164	131.8 Å²	131.8	86%	0.859	78%	0.776	S	S	*	*			trans	-133.4	138.4	-172.8	-89.5	168.5	0	0	0	113.7
497	S	32.3	Very low	26.3	Very low	123 Å²	123	134.9 Å²	134.9	86%	0.86	78%	0.784	S	S	*	*			trans	-92.6	134.1	161	-45.2	0	0	0	0	110.8
498	P	31.2	Very low	25.7	Very low	112 Å²	112	135.2 Å²	135.2	73%	0.727	79%	0.785	S	S	*	*			trans	-145.8	165.3	152.7	33.4	-15.5	0	0	0	114.7
499	S	23.8	Very low	25.7	Very low	91 Å²	91	132.1 Å²	132.1	64%	0.636	78%	0.777	S	S	*	*			cis	-178.7	149.2	-33.2	55.1	0	0	0	0	110.7
500	F	23.5	Very low	25.8	Very low	186 Å²	186	135.6 Å²	135.6	82%	0.816	79%	0.786	S	S	*	*			trans	72	148.7	159.3	-67.4	-67.7	0	0	0	121.7
501	Q	22.8	Very low	26	Very low	170 Å²	170	135.2 Å²	135.2	79%	0.794	79%	0.788	S	S	*	*			trans	64.7	160.8	156.4	-73.8	171.5	7.3	0	0	116.2
502	M	23.1	Very low	26.2	Very low	155 Å²	155	130.9 Å²	130.9	76%	0.764	78%	0.781	S	S	*	*			cis	-150.4	167.4	-3	-128.2	-162.4	-155.1	0	0	107
503	S	24	Very low	26.1	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	78%	0.783	S	S	*	*			cis	-159.3	-179.7	-4	-154.6	0	0	0	0	110
504	T	26.5	Very low	26.6	Very low	126 Å²	126	132.4 Å²	132.4	77%	0.773	78%	0.781	S	S	*	*			trans	-76.3	145.6	162.1	49.9	0	0	0	0	111.9
505	L	23.6	Very low	26.5	Very low	179 Å²	179	131.2 Å²	131.2	94%	0.937	77%	0.774	S	S	*	*			trans	-144.7	140.4	153.5	-106.2	175.5	0	0	0	111.2
506	S	23.9	Very low	26.5	Very low	98 Å²	98	134.3 Å²	134.3	69%	0.685	78%	0.776	S	S	*	*			trans	-140.1	149.5	-176.3	55.4	0	0	0	0	109.7
507	L	24.9	Very low	26.6	Very low	169 Å²	169	131.9 Å²	131.9	89%	0.885	77%	0.772	S	S	*	*			trans	-158.4	171.5	152.8	-121.5	76.1	0	0	0	107.1
508	P	29.6	Very low	27.1	Very low	115 Å²	115	131.2 Å²	131.2	75%	0.747	77%	0.765	S	S	*	*			trans	-110.1	-177.4	-140.2	22.6	3.4	0	0	0	111.4
509	S	23.1	Very low	26.8	Very low	95 Å²	95	134.1 Å²	134.1	66%	0.664	77%	0.773	S	S	*	*			cis	-173.2	168.6	43.7	61.4	0	0	0	0	114.2
510	Q	24.7	Very low	27	Very low	186 Å²	186	137.9 Å²	137.9	87%	0.869	79%	0.785	S	S	*	*			trans	65.3	104.7	159.5	-66.6	178.8	5.6	0	0	120.2
511	A	26.8	Very low	27.1	Very low	91 Å²	91	134.2 Å²	134.2	75%	0.752	78%	0.783	S	S	*	*				-89.2	165	128.3	0	0	0	0	0	107.6
512	P	31.7	Very low	27.2	Very low	111 Å²	111	135.3 Å²	135.3	72%	0.721	79%	0.788	S	S	*	*			cis	-146.5	150.6	33.8	40.4	-19.5	0	0	0	119.8
513	S	22.1	Very low	27.6	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	80%	0.796	S	S	*	*			trans	64.3	-167.9	141.2	-52.2	0	0	0	0	117.1
514	P	49.2	Very low	28	Very low	110 Å²	110	133.9 Å²	133.9	71%	0.714	80%	0.796	S	S	*	*				-128.5	-176.8	-92.7	38.4	-21.2	0	0	0	114.3
515	L	24.1	Very low	28.1	Very low	150 Å²	150	132.7 Å²	132.7	79%	0.785	79%	0.793	S	S	*	*			trans	138.2	158.4	143	-73.4	170.3	0	0	0	114.8
516	Q	23	Very low	28.3	Very low	181 Å²	181	129.9 Å²	129.9	85%	0.846	78%	0.783	S	S	*	*			trans	62.1	101.5	156.4	-73.3	167.1	4.9	0	0	120.2
517	S	24	Very low	28.7	Very low	112 Å²	112	129.9 Å²	129.9	78%	0.783	79%	0.79	S	S	*	*			trans	-93.1	179.6	131.5	66.9	0	0	0	0	109.1
518	P	44.4	Very low	29	Very low	110 Å²	110	131.8 Å²	131.8	71%	0.714	79%	0.785	S	S	*	*			cis	-128.2	165.9	-19.1	39.1	-25.3	0	0	0	113.6
519	I	24.4	Very low	29	Very low	172 Å²	172	131.2 Å²	131.2	88%	0.882	78%	0.775	S	S	*	*			trans	-135.6	147.9	156.3	-65.2	-173.7	0	0	0	109.6
520	L	28.3	Very low	29.4	Very low	170 Å²	170	135.1 Å²	135.1	89%	0.89	78%	0.783	S	S	*	*			trans	-112.3	118.2	-173.2	-80.7	161.1	0	0	0	113
521	S	24.1	Very low	29.9	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	78%	0.776	S	S	*	*			trans	-173	135	159.5	52.7	0	0	0	0	108.1
522	E	26.1	Very low	29.9	Very low	193 Å²	193	134.8 Å²	134.8	90%	0.902	77%	0.766	S	S	*	*			cis	-131.1	174.2	7.5	-66	-175.6	103.4	0	0	112.3
523	V	31.9	Very low	29.9	Very low	155 Å²	155	136.3 Å²	136.3	94%	0.939	76%	0.763	S	S	*	*			trans	-100.4	126.2	171.9	172.8	0	0	0	0	110.2
524	G	32.1	Very low	30.5	Very low	65 Å²	65	138.4 Å²	138.4	67%	0.67	76%	0.761	S	S	*	*			trans	119.4	79.7	157	0	0	0	0	0	117.1
525	S	27.1	Very low	29.7	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	76%	0.758	S	S	*	*			trans	-158.7	-10.6	158.8	-85	0	0	0	0	115.7	A527	S525-A527 VanDerWaalsContact C-N 3.3Å; S525-A527 PolarHBondContact O-N 2.98Å
526	T	28.7	Very low	30.1	Very low	119 Å²	119	139 Å²	139	73%	0.73	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-72	-12.4	-171.9	41.9	0	0	0	0	115.9	R528	T526-R528 PolarHBondContact O-N 3.5Å
527	A	32.6	Very low	30.9	Very low	99 Å²	99	139.9 Å²	139.9	82%	0.818	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-75.4	-1.6	178.9	0	0	0	0	0	115.1	S525	S525-A527 VanDerWaalsContact C-N 3.3Å; S525-A527 PolarHBondContact O-N 2.98Å
528	R	30.6	Very low	31.5	Very low	209 Å²	209	143.5 Å²	143.5	79%	0.789	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-108.2	-16.3	177.6	-77.8	-176.9	170.4	168.7	-2.9	114.7	T526	T526-R528 PolarHBondContact O-N 3.5Å
529	L	29.9	Very low	31.5	Very low	103 Å²	103	146.7 Å²	146.7	54%	0.539	75%	0.753	S	S	.	*	H	α-helix	trans	-82.6	-22.7	-170	-67.9	169.5	0	0	0	113.6	E532 E533	L529-E532 PolarHBondContact O-N 2.91Å; L529-E533 PolarHBondContact O-N 3Å
530	E	32	Very low	32.4	Very low	176 Å²	176	147.7 Å²	147.7	82%	0.822	75%	0.747	S	S	*	*	H	α-helix	trans	-76.6	-27.6	176.5	-64.9	-170.9	160.3	0	0	113.3
531	E	34.5	Very low	33.5	Very low	157 Å²	157	145.8 Å²	145.8	73%	0.734	75%	0.745	S	S	*	*	H	α-helix	trans	-77.1	-26	170.6	-76.8	-165.9	134.6	0	0	112.4
532	E	28	Very low	35.3	Very low	113 Å²	113	143 Å²	143	53%	0.528	72%	0.723	S	S	.	*	H	α-helix	trans	-72.9	-31.2	176	-101.9	-164.3	122	0	0	113.6	L529 G535 R536	L529-E532 PolarHBondContact O-N 2.91Å; E532-G535 PolarHBondContact O-N 2.99Å; E532-R536 PolarHBondContact O-N 2.73Å
533	E	31.2	Very low	38	Very low	143 Å²	143	137.7 Å²	137.7	67%	0.668	70%	0.701	S	S	*	*	H	α-helix	trans	-72.1	-35.2	-176.7	-144.1	-160.6	162.6	0	0	112.8	L529 G535 R536	L529-E533 PolarHBondContact O-N 3Å; E533-G535 PolarHBondContact O-N 3.17Å; E533-R536 PolarHBondContact O-N 3.01Å
534	E	35.3	Very low	40.7	Very low	159 Å²	159	134.6 Å²	134.6	74%	0.743	68%	0.675	S	S	*	*	H	α-helix	trans	-68.5	-23.4	173.8	-166.1	160.1	-135.9	0	0	111.8
535	G	31.3	Very low	43.6	Very low	64 Å²	64	131.6 Å²	131.6	66%	0.66	64%	0.643	S	S	*	*	H	α-helix	trans	-76.9	-17.9	173.9	0	0	0	0	0	115.6	E532 E533	E532-G535 PolarHBondContact O-N 2.99Å; E533-G535 PolarHBondContact O-N 3.17Å
536	R	32.2	Very low	46.7	Very low	208 Å²	208	127.2 Å²	127.2	79%	0.785	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-6.7	-173.9	-94.7	-175	176.9	-178.2	2.5	116.2	E532 E533 K538	E532-R536 PolarHBondContact O-N 2.73Å; E533-R536 PolarHBondContact O-N 3.01Å; R536-K538 PolarHBondContact O-N 2.85Å
537	R	40.9	Very low	49.8	Very low	200 Å²	200	122.8 Å²	122.8	76%	0.755	58%	0.582	S	S	*	*	S	Bend	trans	-89.5	103.2	167.8	-67	-174.9	-172.2	169.1	7.9	109.4	R539	R537-R539 VanDerWaalsContact C-N 3.26Å; R537-R539 PolarHBondContact O-N 3.45Å
538	K	35	Very low	52.8	Low	188 Å²	188	118.1 Å²	118.1	82%	0.817	54%	0.543	S	S	*	.			trans	-58.5	88.4	167.1	-81.4	-173.6	173.4	-178.5	0	110	R536 Y540	R536-K538 PolarHBondContact O-N 2.85Å; K538-Y540 PolarHBondContact O-N 2.66Å; K538-Y540 VanDerWaalsContact O-N 3.07Å
539	R	45.2	Very low	55.9	Low	177 Å²	177	108.1 Å²	108.1	67%	0.668	51%	0.506	S	S	*	.			trans	-66.1	103.9	159.9	-68.6	-171.5	-172	-178.5	6.3	106.7	R537	R537-R539 VanDerWaalsContact C-N 3.26Å; R537-R539 PolarHBondContact O-N 3.45Å
540	Y	43.5	Very low	59	Low	193 Å²	193	105.2 Å²	105.2	76%	0.757	49%	0.489	S	S	*	.			trans	-53	135.9	152.6	-72.1	-97.6	0	0	0	107.1	K538 T542	K538-Y540 PolarHBondContact O-N 2.66Å; K538-Y540 VanDerWaalsContact O-N 3.07Å; Y540-T542 PolarHBondContact O-N 3.42Å
541	P	50.7	Low	62.1	Low	130 Å²	130	97.2 Å²	97.2	84%	0.844	45%	0.452	S	S	*	.			trans	-59.1	105.9	174	-22.9	33.9	0	0	0	108.8	D543	P541-D543 PolarHBondContact O-N 3.19Å
542	T	63.7	Low	65.1	Low	50 Å²	50	89.8 Å²	89.8	31%	0.307	42%	0.417	S	S	.	.			trans	-68.4	130.3	174.8	3.1	0	0	0	0	108.3	Y540 Y546 F547	Y540-T542 PolarHBondContact O-N 3.42Å; T542-Y546 VanDerWaalsContact CB-CD1 3.44Å; T542-Y546 HydrophobicContact CG2-CD1 3.6Å; T542-Y546 HydrophobicContact CG2-CD2 3.86Å; T542-Y546 HydrophobicContact CG2-CE1 4.14Å; T542-Y546 HydrophobicContact CG2-CE2 4.37Å; T542-Y546 HydrophobicContact CG2-CG 3.45Å; T542-Y546 VanDerWaalsContact CG2-CG 3.45Å; T542-F547 WeakPolarHBondContact O-CE2 3.47Å
543	D	81.5	Confident	68.4	Low	82 Å²	82	84.8 Å²	84.8	44%	0.439	39%	0.393	S	S	.	.			trans	-57.3	155.1	-179.2	177.6	45.3	0	0	0	112	P541 A545 Y546 H707	P541-D543 PolarHBondContact O-N 3.19Å; D543-A545 PolarHBondContact O-N 3.15Å; D543-A545 VanDerWaalsContact O-N 3.12Å; D543-A545 WeakPolarHBondContact OD2-CB 3.32Å; D543-A545 PolarHBondContact OD2-N 3.02Å; D543-A545 VanDerWaalsContact OD2-N 3.09Å; D543-Y546 WeakPolarHBondContact O-CB 3.46Å; D543-Y546 PolarHBondContact O-N 2.74Å; D543-H707 IonicContact OD1-CE1 2.99Å; D543-H707 PolarHBondContact OD1-CE1 2.67Å; D543-H707 IonicContact OD1-NE2 3.91Å; D543-H707 PolarHBondContact OD1-NE2 2.91Å; D543-H707 IonicContact OD2-CD2 3.88Å; D543-H707 IonicContact OD2-CE1 3.27Å; D543-H707 IonicContact OD2-NE2 2.66Å; D543-H707 PolarHBondContact OD2-NE2 2.94Å
544	K	89.5	Confident	71.6	Confident	91 Å²	91	78.7 Å²	78.7	40%	0.396	37%	0.366	S	S	.	.	H	α-helix	trans	-52.7	-32	175.2	176.8	168.6	177.1	162	0	112	Y546 F547 I548 Y1028	K544-Y546 VanDerWaalsContact C-N 3.35Å; K544-Y546 PolarHBondContact O-N 2.89Å; K544-F547 PolarHBondContact O-N 2.95Å; K544-I548 HydrophobicContact CG-CD1 4.08Å; K544-I548 VanDerWaalsContact O-CG1 3.31Å; K544-I548 WeakPolarHBondContact O-CG1 3.38Å; K544-I548 PolarHBondContact O-N 3.32Å; K544-Y1028 HydrophobicContact CD-CD2 4.17Å; K544-Y1028 HydrophobicContact CG-CD2 3.84Å; K544-Y1028 HydrophobicContact CG-CE2 4.38Å; K544-Y1028 HydrophobicContact CG-CG 4.32Å
545	A	91.6	Very high	74.6	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-56.5	-41.1	170.9	0	0	0	0	0	113.9	D543 F547 I548 A549 W613 Y708	D543-A545 PolarHBondContact O-N 3.15Å; D543-A545 VanDerWaalsContact O-N 3.12Å; D543-A545 WeakPolarHBondContact OD2-CB 3.32Å; D543-A545 PolarHBondContact OD2-N 3.02Å; D543-A545 VanDerWaalsContact OD2-N 3.09Å; A545-F547 PolarHBondContact O-N 3.24Å; A545-I548 PolarHBondContact O-N 2.87Å; A545-A549 WeakPolarHBondContact O-CB 3.25Å; A545-A549 PolarHBondContact O-N 3.5Å; A545-W613 HydrophobicContact CB-CH2 4.46Å; A545-Y708 HydrophobicContact CB-CE1 3.55Å
546	Y	92.9	Very high	77.8	Confident	9 Å²	9	68.5 Å²	68.5	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-41.3	176.9	157.5	-87.8	0	0	0	111.3	T542 D543 K544 A549 K550 L610 W613 E614	T542-Y546 VanDerWaalsContact CB-CD1 3.44Å; T542-Y546 HydrophobicContact CG2-CD1 3.6Å; T542-Y546 HydrophobicContact CG2-CD2 3.86Å; T542-Y546 HydrophobicContact CG2-CE1 4.14Å; T542-Y546 HydrophobicContact CG2-CE2 4.37Å; T542-Y546 HydrophobicContact CG2-CG 3.45Å; T542-Y546 VanDerWaalsContact CG2-CG 3.45Å; D543-Y546 WeakPolarHBondContact O-CB 3.46Å; D543-Y546 PolarHBondContact O-N 2.74Å; K544-Y546 VanDerWaalsContact C-N 3.35Å; K544-Y546 PolarHBondContact O-N 2.89Å; Y546-A549 PolarHBondContact O-N 3.06Å; Y546-K550 HydrophobicContact CE1-CD 4.03Å; Y546-K550 VanDerWaalsContact O-CB 3.29Å; Y546-K550 WeakPolarHBondContact O-CB 3.44Å; Y546-K550 PolarHBondContact O-N 3.5Å; Y546-K550 PolarHBondContact OH-NZ 2.86Å; Y546-L610 HydrophobicContact CD2-CD1 3.63Å; Y546-L610 HydrophobicContact CE2-CD1 3.55Å; Y546-W613 HydrophobicContact CD2-CB 4.49Å; Y546-W613 HydrophobicContact CD2-CD2 4.11Å; Y546-W613 HydrophobicContact CD2-CG 4Å; Y546-E614 HydrophobicContact CE2-CG 3.74Å; Y546-E614 PolarHBondContact OH-OE1 3.26Å
547	F	94.4	Very high	81	Confident	27 Å²	27	60.6 Å²	60.6	12%	0.118	27%	0.272	C	S	.	.	H	α-helix	trans	-71.1	-31.5	178.4	-68.3	-80	0	0	0	112.4	T542 K544 A545 K550 E551 E1025 S1026 Y1028	T542-F547 WeakPolarHBondContact O-CE2 3.47Å; K544-F547 PolarHBondContact O-N 2.95Å; A545-F547 PolarHBondContact O-N 3.24Å; F547-K550 PolarHBondContact O-N 3.06Å; F547-E551 PolarHBondContact O-N 2.9Å; F547-E1025 WeakPolarHBondContact CE1-OE1 3.34Å; F547-S1026 WeakPolarHBondContact CD1-OG 3.38Å; F547-S1026 VanDerWaalsContact CE1-CB 3.47Å; F547-S1026 VanDerWaalsContact CE1-OG 3.25Å; F547-S1026 WeakPolarHBondContact CE1-OG 3.29Å; F547-S1026 VanDerWaalsContact CZ-CB 3.43Å; F547-Y1028 HydrophobicContact CB-CD1 3.4Å; F547-Y1028 VanDerWaalsContact CB-CD1 3.4Å; F547-Y1028 HydrophobicContact CB-CE1 4.02Å; F547-Y1028 HydrophobicContact CB-CG 4.14Å; F547-Y1028 HydrophobicContact CG-CD1 4.39Å
548	I	95.1	Very high	83.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-45.2	170.4	-60.9	160.8	0	0	0	110.4	K544 A545 K550 E551 I552 I700 R703 L704 H707 Y1028	K544-I548 HydrophobicContact CG-CD1 4.08Å; K544-I548 VanDerWaalsContact O-CG1 3.31Å; K544-I548 WeakPolarHBondContact O-CG1 3.38Å; K544-I548 PolarHBondContact O-N 3.32Å; A545-I548 PolarHBondContact O-N 2.87Å; I548-K550 VanDerWaalsContact C-N 3.27Å; I548-K550 PolarHBondContact O-N 3.46Å; I548-E551 WeakPolarHBondContact O-CB 3.46Å; I548-E551 PolarHBondContact O-N 3.14Å; I548-E551 VanDerWaalsContact O-N 3.11Å; I548-I552 PolarHBondContact O-N 3Å; I548-I700 HydrophobicContact CG2-CG2 3.49Å; I548-I700 VanDerWaalsContact CG2-CG2 3.49Å; I548-R703 HydrophobicContact CD1-CG 4.31Å; I548-L704 HydrophobicContact CB-CD2 3.8Å; I548-L704 HydrophobicContact CB-CG 4.43Å; I548-L704 HydrophobicContact CD1-CD2 4.21Å; I548-L704 HydrophobicContact CG2-CD1 4.4Å; I548-L704 HydrophobicContact CG2-CD2 3.57Å; I548-L704 HydrophobicContact CG2-CG 3.65Å; I548-H707 HydrophobicContact CD1-CB 4.31Å; I548-Y1028 HydrophobicContact CG1-CE1 4.07Å; I548-Y1028 HydrophobicContact CG1-CE2 3.92Å; I548-Y1028 WeakPolarHBondContact CG1-OH 3.19Å
549	A	95.3	Very high	86.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-35.3	174.5	0	0	0	0	0	112.3	A545 Y546 I552 L553 L610 W613 I628	A545-A549 WeakPolarHBondContact O-CB 3.25Å; A545-A549 PolarHBondContact O-N 3.5Å; Y546-A549 PolarHBondContact O-N 3.06Å; A549-I552 WeakPolarHBondContact O-CB 3.15Å; A549-I552 PolarHBondContact O-N 2.99Å; A549-L553 PolarHBondContact O-N 3.37Å; A549-L610 HydrophobicContact CB-CD1 4.41Å; A549-L610 HydrophobicContact CB-CD2 4.28Å; A549-W613 HydrophobicContact CB-CZ3 4.14Å; A549-I628 HydrophobicContact CB-CB 4.06Å; A549-I628 HydrophobicContact CB-CG1 4.02Å; A549-I628 HydrophobicContact CB-CG2 4.09Å
550	K	95.6	Very high	89.3	Confident	41 Å²	41	35.1 Å²	35.1	18%	0.178	17%	0.173	C	C	.	.	H	α-helix	trans	-67.6	-32.4	174	-169.6	172.8	-175.4	175	0	112.6	Y546 F547 I548 I552 L553 T554 L610 E1025	Y546-K550 HydrophobicContact CE1-CD 4.03Å; Y546-K550 VanDerWaalsContact O-CB 3.29Å; Y546-K550 WeakPolarHBondContact O-CB 3.44Å; Y546-K550 PolarHBondContact O-N 3.5Å; Y546-K550 PolarHBondContact OH-NZ 2.86Å; F547-K550 PolarHBondContact O-N 3.06Å; I548-K550 VanDerWaalsContact C-N 3.27Å; I548-K550 PolarHBondContact O-N 3.46Å; K550-I552 VanDerWaalsContact C-N 3.34Å; K550-L553 PolarHBondContact O-N 2.82Å; K550-T554 HydrophobicContact CG-CG2 4.36Å; K550-T554 WeakPolarHBondContact O-CG2 3.41Å; K550-T554 PolarHBondContact O-N 3Å; K550-T554 PolarHBondContact O-OG1 2.88Å; K550-T554 VanDerWaalsContact O-OG1 3.12Å; K550-L610 HydrophobicContact CB-CD1 4.4Å; K550-E1025 VanDerWaalsContact CE-OE1 3.25Å; K550-E1025 WeakPolarHBondContact CE-OE1 3.1Å; K550-E1025 IonicContact NZ-OE1 2.66Å; K550-E1025 PolarHBondContact NZ-OE1 3.35Å; K550-E1025 IonicContact NZ-OE2 3.85Å; K550-E1025 PolarHBondContact NZ-OE2 2.7Å
551	E	96.7	Very high	91.9	Very high	9 Å²	9	28.6 Å²	28.6	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-36.8	172.1	-172	175.6	150.6	0	0	111.9	F547 I548 T554 T555 I700 R703 L948 Y1028 R1032	F547-E551 PolarHBondContact O-N 2.9Å; I548-E551 WeakPolarHBondContact O-CB 3.46Å; I548-E551 PolarHBondContact O-N 3.14Å; I548-E551 VanDerWaalsContact O-N 3.11Å; E551-T554 PolarHBondContact O-OG1 2.82Å; E551-T555 HydrophobicContact CG-CG2 4.42Å; E551-T555 WeakPolarHBondContact O-CB 3.45Å; E551-T555 WeakPolarHBondContact O-CG2 3.37Å; E551-T555 PolarHBondContact O-N 3.44Å; E551-T555 PolarHBondContact O-OG1 3.05Å; E551-I700 HydrophobicContact CG-CD1 4.34Å; E551-R703 IonicContact OE1-CZ 2.72Å; E551-R703 IonicContact OE1-NH1 2.77Å; E551-R703 IonicContact OE1-NH2 2.83Å; E551-R703 PolarHBondContact OE1-NH2 2.94Å; E551-R703 IonicContact OE2-CZ 3.76Å; E551-R703 IonicContact OE2-NH2 3.66Å; E551-R703 PolarHBondContact OE2-NH2 2.94Å; E551-L948 HydrophobicContact CG-CD1 3.6Å; E551-Y1028 PolarHBondContact OE2-OH 3.39Å; E551-R1032 IonicContact OE1-CZ 2.59Å; E551-R1032 IonicContact OE1-NE 2.68Å; E551-R1032 PolarHBondContact OE1-NE 3.29Å; E551-R1032 IonicContact OE1-NH2 3.41Å; E551-R1032 PolarHBondContact OE1-NH2 2.59Å; E551-R1032 WeakPolarHBondContact OE2-CG 3.49Å; E551-R1032 IonicContact OE2-NE 2.84Å; E551-R1032 PolarHBondContact OE2-NE 3.19Å
552	I	97.9	Very high	94.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-53.8	171	-50.7	173.6	0	0	0	109.2	I548 A549 K550 T554 T555 E556 L606 I628 M632 R693 Y697 I700 L704	I548-I552 PolarHBondContact O-N 3Å; A549-I552 WeakPolarHBondContact O-CB 3.15Å; A549-I552 PolarHBondContact O-N 2.99Å; K550-I552 VanDerWaalsContact C-N 3.34Å; I552-T554 PolarHBondContact O-N 3.1Å; I552-T555 PolarHBondContact O-N 3.45Å; I552-T555 PolarHBondContact O-OG1 3.21Å; I552-T555 VanDerWaalsContact O-OG1 3.1Å; I552-E556 VanDerWaalsContact O-CB 3.27Å; I552-E556 WeakPolarHBondContact O-CB 3.35Å; I552-E556 PolarHBondContact O-N 2.88Å; I552-L606 HydrophobicContact CG2-CD1 3.86Å; I552-L606 HydrophobicContact CG2-CD2 4.35Å; I552-I628 HydrophobicContact CD1-CG1 4.48Å; I552-M632 HydrophobicContact CD1-CE 4.27Å; I552-M632 HydrophobicContact CD1-CG 4.38Å; I552-M632 HydrophobicContact CD1-SD 3.77Å; I552-M632 HydrophobicContact CG2-SD 4.21Å; I552-R693 PolarHBondContact O-NH2 2.75Å; I552-R693 VanDerWaalsContact O-NH2 3.16Å; I552-Y697 HydrophobicContact CG2-CE1 4.37Å; I552-I700 HydrophobicContact CD1-CG2 3.89Å; I552-I700 HydrophobicContact CG1-CB 4.35Å; I552-I700 HydrophobicContact CG1-CD1 3.85Å; I552-I700 HydrophobicContact CG1-CG2 3.58Å; I552-L704 HydrophobicContact CD1-CD1 4.28Å
553	L	98	Very high	95.8	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-43	-179.2	174.4	60.1	0	0	0	113	A549 K550 E556 R557 L603 L606 D607 L610	A549-L553 PolarHBondContact O-N 3.37Å; K550-L553 PolarHBondContact O-N 2.82Å; L553-E556 PolarHBondContact O-N 3.36Å; L553-R557 WeakPolarHBondContact O-CG 3.41Å; L553-R557 PolarHBondContact O-N 2.91Å; L553-L603 HydrophobicContact CD1-CD1 3.5Å; L553-L606 HydrophobicContact CD1-CB 3.95Å; L553-D607 HydrophobicContact CD1-CB 4.26Å; L553-L610 HydrophobicContact CD2-CB 3.83Å; L553-L610 HydrophobicContact CD2-CG 3.87Å
554	T	98.1	Very high	96.6	Very high	15 Å²	15	18.1 Å²	18.1	9%	0.092	8%	0.082	C	C	.	.	H	α-helix	trans	-73.9	-35.5	-178.3	55	0	0	0	0	112.8	K550 E551 I552 S949 W966	K550-T554 HydrophobicContact CG-CG2 4.36Å; K550-T554 WeakPolarHBondContact O-CG2 3.41Å; K550-T554 PolarHBondContact O-N 3Å; K550-T554 PolarHBondContact O-OG1 2.88Å; K550-T554 VanDerWaalsContact O-OG1 3.12Å; E551-T554 PolarHBondContact O-OG1 2.82Å; I552-T554 PolarHBondContact O-N 3.1Å; T554-S949 WeakPolarHBondContact CB-O 3.46Å; T554-S949 WeakPolarHBondContact O-CB 3.35Å; T554-S949 PolarHBondContact OG1-O 3.2Å; T554-W966 HydrophobicContact CG2-CH2 3.81Å; T554-W966 HydrophobicContact CG2-CZ3 3.91Å; T554-W966 WeakPolarHBondContact O-CH2 3.22Å; T554-W966 VanDerWaalsContact O-CZ2 3.29Å; T554-W966 WeakPolarHBondContact O-CZ2 3.44Å
555	T	98.4	Very high	97	Very high	9 Å²	9	14 Å²	14	6%	0.055	7%	0.065	C	C	.	.	H	α-helix	trans	-73.2	-29.1	173.1	56.3	0	0	0	0	112.3	E551 I552 T558 Y559 R693 L948	E551-T555 HydrophobicContact CG-CG2 4.42Å; E551-T555 WeakPolarHBondContact O-CB 3.45Å; E551-T555 WeakPolarHBondContact O-CG2 3.37Å; E551-T555 PolarHBondContact O-N 3.44Å; E551-T555 PolarHBondContact O-OG1 3.05Å; I552-T555 PolarHBondContact O-N 3.45Å; I552-T555 PolarHBondContact O-OG1 3.21Å; I552-T555 VanDerWaalsContact O-OG1 3.1Å; T555-T558 PolarHBondContact O-N 3.34Å; T555-Y559 WeakPolarHBondContact O-CB 3.34Å; T555-Y559 PolarHBondContact O-N 2.68Å; T555-R693 VanDerWaalsContact CB-NH1 3.29Å; T555-R693 PolarHBondContact OG1-NH1 3.33Å; T555-R693 PolarHBondContact OG1-NH2 3.09Å; T555-R693 VanDerWaalsContact OG1-NH2 3.16Å; T555-L948 HydrophobicContact CG2-CD1 4.47Å
556	E	98.6	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.9	-39.9	177.4	-168.4	64.9	-173.9	0	0	112.4	I552 L553 T558 Y559 L560 H599 F602 L603 L606 R693 Y697	I552-E556 VanDerWaalsContact O-CB 3.27Å; I552-E556 WeakPolarHBondContact O-CB 3.35Å; I552-E556 PolarHBondContact O-N 2.88Å; L553-E556 PolarHBondContact O-N 3.36Å; E556-T558 VanDerWaalsContact C-N 3.34Å; E556-T558 PolarHBondContact O-N 2.91Å; E556-Y559 PolarHBondContact O-N 3.2Å; E556-L560 PolarHBondContact O-N 3.08Å; E556-H599 IonicContact OE1-CE1 2.72Å; E556-H599 IonicContact OE1-CG 2.59Å; E556-H599 IonicContact OE1-ND1 3.18Å; E556-H599 PolarHBondContact OE1-ND1 3.22Å; E556-F602 HydrophobicContact CG-CD1 4.41Å; E556-L603 HydrophobicContact CB-CD1 4.1Å; E556-L603 HydrophobicContact CG-CB 4.04Å; E556-L603 HydrophobicContact CG-CD1 3.98Å; E556-L606 HydrophobicContact CB-CD1 4.14Å; E556-L606 HydrophobicContact CG-CD1 4.13Å; E556-R693 VanDerWaalsContact CA-NH2 3.35Å; E556-R693 VanDerWaalsContact N-NH2 3.17Å; E556-R693 IonicContact OE2-CZ 3.17Å; E556-R693 IonicContact OE2-NE 2.67Å; E556-R693 PolarHBondContact OE2-NE 2.88Å; E556-R693 IonicContact OE2-NH2 2.79Å; E556-R693 PolarHBondContact OE2-NH2 3.26Å; E556-Y697 PolarHBondContact OE1-OH 3.08Å; E556-Y697 PolarHBondContact OE2-OH 3.15Å
557	R	98.6	Very high	97.5	Very high	42 Å²	42	13.9 Å²	13.9	16%	0.158	7%	0.065	C	C	.	.	H	α-helix	trans	-59.8	-43.5	174.6	-70.5	175.3	179.9	143	-9.2	112.2	L553 K561 L603 D607 W966	L553-R557 WeakPolarHBondContact O-CG 3.41Å; L553-R557 PolarHBondContact O-N 2.91Å; R557-K561 PolarHBondContact O-N 3.02Å; R557-L603 HydrophobicContact CG-CD1 3.74Å; R557-L603 HydrophobicContact CG-CD2 4.09Å; R557-D607 IonicContact CZ-OD1 3Å; R557-D607 IonicContact CZ-OD2 2.93Å; R557-D607 IonicContact NE-OD2 2.86Å; R557-D607 PolarHBondContact NE-OD2 3.08Å; R557-D607 IonicContact NH2-OD1 2.77Å; R557-D607 PolarHBondContact NH2-OD1 3.42Å; R557-D607 IonicContact NH2-OD2 3Å; R557-D607 PolarHBondContact NH2-OD2 2.83Å; R557-W966 HydrophobicContact CB-CZ2 4.39Å
558	T	98.3	Very high	97.7	Very high	13 Å²	13	16.1 Å²	16.1	8%	0.08	8%	0.08	C	C	.	.	H	α-helix	trans	-66.3	-42.9	174.6	-57.4	0	0	0	0	111.3	T555 E556 L560 K561 D562 S949 V968	T555-T558 PolarHBondContact O-N 3.34Å; E556-T558 VanDerWaalsContact C-N 3.34Å; E556-T558 PolarHBondContact O-N 2.91Å; T558-L560 PolarHBondContact O-N 2.76Å; T558-K561 CarbonylContact O-C 3.45Å; T558-K561 WeakPolarHBondContact O-CA 3.14Å; T558-K561 WeakPolarHBondContact O-CB 3.4Å; T558-K561 PolarHBondContact O-N 2.96Å; T558-K561 VanDerWaalsContact O-N 3.12Å; T558-D562 PolarHBondContact O-N 3.23Å; T558-S949 WeakPolarHBondContact CB-OG 3.47Å; T558-S949 WeakPolarHBondContact OG1-CB 3.43Å; T558-S949 PolarHBondContact OG1-OG 3.47Å; T558-V968 HydrophobicContact CG2-CB 4.4Å; T558-V968 HydrophobicContact CG2-CG1 3.69Å; T558-V968 HydrophobicContact CG2-CG2 3.77Å
559	Y	98.6	Very high	97.8	Very high	8 Å²	8	20.6 Å²	20.6	3%	0.031	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-39	179.7	171.5	-108.2	0	0	0	112.6	T555 E556 D562 L563 H599 K689 P690 R693	T555-Y559 WeakPolarHBondContact O-CB 3.34Å; T555-Y559 PolarHBondContact O-N 2.68Å; E556-Y559 PolarHBondContact O-N 3.2Å; Y559-D562 WeakPolarHBondContact O-CB 3.5Å; Y559-D562 PolarHBondContact O-N 3.38Å; Y559-L563 HydrophobicContact CE1-CD1 3.78Å; Y559-L563 HydrophobicContact CE1-CG 4.25Å; Y559-L563 HydrophobicContact CE2-CD1 4.5Å; Y559-L563 HydrophobicContact CE2-CD2 4.15Å; Y559-L563 HydrophobicContact CE2-CG 4.17Å; Y559-L563 WeakPolarHBondContact O-CG 3.26Å; Y559-L563 PolarHBondContact O-N 2.83Å; Y559-H599 AromaticContact CD1-ND1 3.87Å; Y559-H599 HydrophobicContact CE1-CB 4.19Å; Y559-H599 AromaticContact CE1-CD2 3.71Å; Y559-H599 AromaticContact CE1-CE1 3.43Å; Y559-H599 VanDerWaalsContact CE1-CE1 3.43Å; Y559-H599 WeakPolarHBondContact CE1-CE1 3.25Å; Y559-H599 AromaticContact CE1-CG 3.56Å; Y559-H599 AromaticContact CE1-ND1 3.4Å; Y559-H599 WeakPolarHBondContact CE1-ND1 3.48Å; Y559-H599 AromaticContact CE1-NE2 3.65Å; Y559-K689 HydrophobicContact CD2-CB 4.19Å; Y559-K689 HydrophobicContact CE2-CB 3.92Å; Y559-P690 WeakPolarHBondContact OH-CA 3.36Å; Y559-P690 WeakPolarHBondContact OH-CB 3.44Å; Y559-R693 HydrophobicContact CD1-CG 3.85Å; Y559-R693 HydrophobicContact CD2-CB 4.03Å; Y559-R693 HydrophobicContact CD2-CG 4.11Å; Y559-R693 HydrophobicContact CE1-CB 4.36Å; Y559-R693 HydrophobicContact CE1-CG 3.94Å; Y559-R693 HydrophobicContact CE2-CB 3.82Å; Y559-R693 HydrophobicContact CE2-CG 4.18Å; Y559-R693 HydrophobicContact CG-CB 4.39Å; Y559-R693 HydrophobicContact CG-CG 3.94Å
560	L	98.3	Very high	97.9	Very high	9 Å²	9	20.7 Å²	20.7	5%	0.047	10%	0.098	C	C	.	.	H	α-helix	trans	-65.7	-36.8	171.9	-87.7	162	0	0	0	112.7	E556 T558 L563 E564 Y596 H599 R600 L603	E556-L560 PolarHBondContact O-N 3.08Å; T558-L560 PolarHBondContact O-N 2.76Å; L560-L563 HydrophobicContact CD2-CD1 4.39Å; L560-L563 PolarHBondContact O-N 3.14Å; L560-E564 WeakPolarHBondContact O-CG 3.33Å; L560-E564 PolarHBondContact O-N 2.93Å; L560-Y596 HydrophobicContact CD2-CD2 3.66Å; L560-Y596 HydrophobicContact CD2-CE2 3.62Å; L560-H599 HydrophobicContact CD2-CB 3.97Å; L560-H599 HydrophobicContact CG-CB 4.25Å; L560-R600 HydrophobicContact CD2-CB 4.08Å; L560-L603 HydrophobicContact CD1-CB 3.56Å; L560-L603 HydrophobicContact CD1-CD2 3.46Å; L560-L603 VanDerWaalsContact CD1-CD2 3.46Å; L560-L603 HydrophobicContact CD1-CG 4.07Å
561	K	98	Very high	97.9	Very high	57 Å²	57	21.9 Å²	21.9	25%	0.248	10%	0.101	C	C	.	.	H	α-helix	trans	-63.9	-39.7	170.5	-75.7	-58	-172.6	-174.7	0	112.5	R557 T558 L563 E564 V565 Q981 D983	R557-K561 PolarHBondContact O-N 3.02Å; T558-K561 CarbonylContact O-C 3.45Å; T558-K561 WeakPolarHBondContact O-CA 3.14Å; T558-K561 WeakPolarHBondContact O-CB 3.4Å; T558-K561 PolarHBondContact O-N 2.96Å; T558-K561 VanDerWaalsContact O-N 3.12Å; K561-L563 VanDerWaalsContact C-N 3.28Å; K561-L563 PolarHBondContact O-N 2.71Å; K561-E564 VanDerWaalsContact CD-OE2 3.29Å; K561-E564 WeakPolarHBondContact CD-OE2 3.45Å; K561-E564 WeakPolarHBondContact CE-OE2 3.43Å; K561-E564 IonicContact NZ-OE2 2.8Å; K561-E564 PolarHBondContact NZ-OE2 3.43Å; K561-E564 PolarHBondContact O-N 3.46Å; K561-V565 WeakPolarHBondContact O-CG2 3.06Å; K561-V565 PolarHBondContact O-N 2.95Å; K561-Q981 WeakPolarHBondContact CE-O 3.47Å; K561-D983 IonicContact NZ-OD1 3.94Å; K561-D983 PolarHBondContact NZ-OD1 3.1Å
562	D	98.2	Very high	97.9	Very high	4 Å²	4	25 Å²	25	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-35.2	173.4	-72.6	-16.1	0	0	0	112.1	T558 Y559 Y680 F686 K689	T558-D562 PolarHBondContact O-N 3.23Å; Y559-D562 WeakPolarHBondContact O-CB 3.5Å; Y559-D562 PolarHBondContact O-N 3.38Å; D562-Y680 WeakPolarHBondContact OD1-CE1 3.3Å; D562-Y680 PolarHBondContact OD1-OH 3.08Å; D562-F686 HydrophobicContact CB-CD1 3.86Å; D562-F686 HydrophobicContact CB-CE1 4.13Å; D562-F686 WeakPolarHBondContact O-CD1 3.23Å; D562-K689 HydrophobicContact CB-CD 4.49Å; D562-K689 HydrophobicContact CB-CG 4.29Å; D562-K689 WeakPolarHBondContact OD2-CD 3.39Å; D562-K689 VanDerWaalsContact OD2-CE 3.23Å; D562-K689 WeakPolarHBondContact OD2-CE 3.43Å; D562-K689 IonicContact OD2-NZ 3.46Å; D562-K689 PolarHBondContact OD2-NZ 3.12Å
563	L	98.5	Very high	97.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.7	-41.4	172.2	-67.2	-176.4	0	0	0	112.6	Y559 L560 K561 V565 I566 T567 I592 I595 Y596 P690	Y559-L563 HydrophobicContact CE1-CD1 3.78Å; Y559-L563 HydrophobicContact CE1-CG 4.25Å; Y559-L563 HydrophobicContact CE2-CD1 4.5Å; Y559-L563 HydrophobicContact CE2-CD2 4.15Å; Y559-L563 HydrophobicContact CE2-CG 4.17Å; Y559-L563 WeakPolarHBondContact O-CG 3.26Å; Y559-L563 PolarHBondContact O-N 2.83Å; L560-L563 HydrophobicContact CD2-CD1 4.39Å; L560-L563 PolarHBondContact O-N 3.14Å; K561-L563 VanDerWaalsContact C-N 3.28Å; K561-L563 PolarHBondContact O-N 2.71Å; L563-V565 PolarHBondContact O-N 2.85Å; L563-I566 PolarHBondContact O-N 3.49Å; L563-T567 PolarHBondContact O-N 3.14Å; L563-T567 PolarHBondContact O-OG1 2.76Å; L563-I592 HydrophobicContact CD2-CG2 4.24Å; L563-I595 HydrophobicContact CD1-CG2 4.46Å; L563-Y596 HydrophobicContact CB-CD2 3.8Å; L563-Y596 HydrophobicContact CD1-CD2 4.1Å; L563-P690 HydrophobicContact CD2-CG 4.01Å
564	E	98.3	Very high	97.6	Very high	38 Å²	38	25.4 Å²	25.4	18%	0.178	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-31.3	178.4	-75.2	174.3	-169.9	0	0	112.4	L560 K561 I566 V568 W569 Y596	L560-E564 WeakPolarHBondContact O-CG 3.33Å; L560-E564 PolarHBondContact O-N 2.93Å; K561-E564 VanDerWaalsContact CD-OE2 3.29Å; K561-E564 WeakPolarHBondContact CD-OE2 3.45Å; K561-E564 WeakPolarHBondContact CE-OE2 3.43Å; K561-E564 IonicContact NZ-OE2 2.8Å; K561-E564 PolarHBondContact NZ-OE2 3.43Å; K561-E564 PolarHBondContact O-N 3.46Å; E564-I566 PolarHBondContact O-N 3.07Å; E564-V568 HydrophobicContact CB-CG2 4.27Å; E564-V568 HydrophobicContact CG-CG2 4.14Å; E564-V568 WeakPolarHBondContact O-CA 3.39Å; E564-V568 WeakPolarHBondContact O-CB 3.36Å; E564-V568 PolarHBondContact O-N 3.11Å; E564-W569 PolarHBondContact O-N 2.95Å; E564-Y596 HydrophobicContact CG-CE2 3.58Å; E564-Y596 PolarHBondContact OE1-OH 3.23Å
565	V	98.1	Very high	97.5	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.024	15%	0.147	C	C	.	.	I	π-helix	trans	-52.7	-38.4	171.4	-173.8	0	0	0	0	111.3	K561 L563 F570 F673 V678 F686	K561-V565 WeakPolarHBondContact O-CG2 3.06Å; K561-V565 PolarHBondContact O-N 2.95Å; L563-V565 PolarHBondContact O-N 2.85Å; V565-F570 WeakPolarHBondContact O-CB 3.37Å; V565-F570 PolarHBondContact O-N 3.13Å; V565-F673 HydrophobicContact CG1-CE1 3.85Å; V565-F673 HydrophobicContact CG1-CZ 3.95Å; V565-F673 WeakPolarHBondContact O-CZ 3.29Å; V565-V678 HydrophobicContact CG2-CG2 4.05Å; V565-F686 HydrophobicContact CB-CD1 4.2Å; V565-F686 HydrophobicContact CB-CE1 4.17Å; V565-F686 HydrophobicContact CB-CG 4.43Å; V565-F686 HydrophobicContact CB-CZ 4.36Å; V565-F686 HydrophobicContact CG1-CD2 4.14Å; V565-F686 HydrophobicContact CG1-CE1 4.39Å; V565-F686 HydrophobicContact CG1-CE2 3.95Å; V565-F686 HydrophobicContact CG1-CG 4.43Å; V565-F686 HydrophobicContact CG1-CZ 4.09Å; V565-F686 HydrophobicContact CG2-CD1 4.14Å; V565-F686 HydrophobicContact CG2-CE1 3.68Å; V565-F686 HydrophobicContact CG2-CZ 3.94Å
566	I	98	Very high	97.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.177	C	C	.	.	I	π-helix	trans	-86.5	-59.9	176.8	-56.3	179.6	0	0	0	110.8	L563 E564 V568 R571 L588 F589 I592 L683 F686 L687	L563-I566 PolarHBondContact O-N 3.49Å; E564-I566 PolarHBondContact O-N 3.07Å; I566-V568 VanDerWaalsContact C-N 3.32Å; I566-V568 PolarHBondContact O-N 3.04Å; I566-R571 PolarHBondContact O-N 2.74Å; I566-R571 VanDerWaalsContact O-N 3.11Å; I566-L588 HydrophobicContact CG2-CD1 4.3Å; I566-F589 HydrophobicContact CG2-CE1 4.01Å; I566-F589 WeakPolarHBondContact O-CE1 3.43Å; I566-I592 HydrophobicContact CD1-CD1 4.1Å; I566-I592 HydrophobicContact CG2-CD1 3.91Å; I566-L683 HydrophobicContact CG1-CD1 4.48Å; I566-F686 HydrophobicContact CD1-CB 3.73Å; I566-F686 HydrophobicContact CG1-CB 3.98Å; I566-L687 HydrophobicContact CD1-CD2 3.75Å; I566-L687 HydrophobicContact CD1-CG 4.07Å
567	T	97.6	Very high	96.9	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.037	20%	0.195	C	C	.	.	I	π-helix	trans	-70.3	-26.2	-166	60.6	0	0	0	0	113.5	L563 R571 I592 D593 Y596	L563-T567 PolarHBondContact O-N 3.14Å; L563-T567 PolarHBondContact O-OG1 2.76Å; T567-R571 WeakPolarHBondContact O-CB 3.4Å; T567-R571 PolarHBondContact O-NE 2.65Å; T567-R571 PolarHBondContact O-NH2 3.41Å; T567-I592 HydrophobicContact CG2-CB 4.42Å; T567-I592 HydrophobicContact CG2-CG2 3.61Å; T567-D593 WeakPolarHBondContact CG2-OD1 3.39Å; T567-Y596 HydrophobicContact CG2-CG 4.32Å
568	V	96.9	Very high	96.5	Very high	73 Å²	73	44 Å²	44	44%	0.442	22%	0.219	S	C	.	.	I	π-helix	trans	-107.7	-62.7	178.4	-177.9	0	0	0	0	110.4	E564 I566 S572	E564-V568 HydrophobicContact CB-CG2 4.27Å; E564-V568 HydrophobicContact CG-CG2 4.14Å; E564-V568 WeakPolarHBondContact O-CA 3.39Å; E564-V568 WeakPolarHBondContact O-CB 3.36Å; E564-V568 PolarHBondContact O-N 3.11Å; I566-V568 VanDerWaalsContact C-N 3.32Å; I566-V568 PolarHBondContact O-N 3.04Å; V568-S572 WeakPolarHBondContact O-CB 3.38Å; V568-S572 PolarHBondContact O-N 3.09Å
569	W	97.7	Very high	96.2	Very high	94 Å²	94	43.7 Å²	43.7	36%	0.356	22%	0.218	S	C	.	.	I	π-helix	trans	-74.4	-51.1	-166.7	-65.5	93.8	0	0	0	112.7	E564 S572 A573 F673 V678 D983	E564-W569 PolarHBondContact O-N 2.95Å; W569-S572 PolarHBondContact O-N 3.19Å; W569-A573 PolarHBondContact O-N 3.19Å; W569-A573 VanDerWaalsContact O-N 3.14Å; W569-F673 HydrophobicContact CB-CE2 3.91Å; W569-F673 HydrophobicContact CB-CZ 3.85Å; W569-V678 HydrophobicContact CB-CG1 4.21Å; W569-V678 HydrophobicContact CB-CG2 4.4Å; W569-V678 HydrophobicContact CD2-CB 4.44Å; W569-V678 HydrophobicContact CD2-CG1 4.14Å; W569-V678 HydrophobicContact CD2-CG2 4.05Å; W569-V678 HydrophobicContact CE3-CG1 4.23Å; W569-V678 HydrophobicContact CG-CG1 4.14Å; W569-V678 HydrophobicContact CG-CG2 3.8Å; W569-D983 HydrophobicContact CZ2-CB 4.01Å
570	F	97.4	Very high	95.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	22%	0.219	C	C	.	.	I	π-helix	trans	-67.3	-39.3	177.7	-174.1	-121.9	0	0	0	111.7	V565 S572 A573 V574 M580 L588 F673 L683	V565-F570 WeakPolarHBondContact O-CB 3.37Å; V565-F570 PolarHBondContact O-N 3.13Å; F570-S572 VanDerWaalsContact C-N 3.33Å; F570-S572 PolarHBondContact O-N 3.03Å; F570-A573 PolarHBondContact O-N 3.09Å; F570-V574 HydrophobicContact CD1-CG1 4.42Å; F570-V574 HydrophobicContact CD2-CG1 4.07Å; F570-V574 HydrophobicContact CE1-CG1 3.99Å; F570-V574 HydrophobicContact CE2-CG1 3.58Å; F570-V574 HydrophobicContact CG-CG1 4.46Å; F570-V574 HydrophobicContact CZ-CG1 3.54Å; F570-V574 PolarHBondContact O-N 2.87Å; F570-M580 HydrophobicContact CE1-CE 3.88Å; F570-M580 HydrophobicContact CZ-CE 4.04Å; F570-L588 HydrophobicContact CD1-CD2 4.13Å; F570-L588 HydrophobicContact CE1-CD2 3.89Å; F570-F673 HydrophobicContact CB-CD1 4.46Å; F570-F673 HydrophobicContact CB-CE1 3.95Å; F570-F673 HydrophobicContact CB-CE2 4.14Å; F570-F673 HydrophobicContact CB-CZ 3.77Å; F570-F673 HydrophobicContact CD2-CB 4.31Å; F570-F673 AromaticContact CD2-CD1 3.8Å; F570-F673 HydrophobicContact CD2-CD1 3.8Å; F570-F673 HydrophobicContact CD2-CD2 4.14Å; F570-F673 HydrophobicContact CD2-CE1 4.16Å; F570-F673 HydrophobicContact CD2-CE2 4.48Å; F570-F673 AromaticContact CD2-CG 3.79Å; F570-F673 HydrophobicContact CD2-CG 3.79Å; F570-F673 HydrophobicContact CD2-CZ 4.48Å; F570-F673 HydrophobicContact CE2-CG 4.5Å; F570-F673 HydrophobicContact CG-CE1 4.43Å; F570-L683 HydrophobicContact CD1-CD2 4.23Å; F570-L683 HydrophobicContact CD2-CD2 3.67Å; F570-L683 HydrophobicContact CE1-CD2 4.02Å; F570-L683 HydrophobicContact CE2-CD2 3.44Å; F570-L683 VanDerWaalsContact CE2-CD2 3.44Å; F570-L683 HydrophobicContact CG-CD1 4.45Å; F570-L683 HydrophobicContact CG-CD2 4.06Å; F570-L683 HydrophobicContact CZ-CD2 3.63Å
571	R	96.8	Very high	95.8	Very high	66 Å²	66	46.2 Å²	46.2	25%	0.249	24%	0.235	C	C	.	.	H	α-helix	trans	-53.9	-49.3	171.7	-163.7	-162.1	-48	-107	-9.4	111.5	I566 T567 A573 V574 I575 F589 D593	I566-R571 PolarHBondContact O-N 2.74Å; I566-R571 VanDerWaalsContact O-N 3.11Å; T567-R571 WeakPolarHBondContact O-CB 3.4Å; T567-R571 PolarHBondContact O-NE 2.65Å; T567-R571 PolarHBondContact O-NH2 3.41Å; R571-A573 VanDerWaalsContact C-N 3.32Å; R571-A573 PolarHBondContact O-N 3.22Å; R571-V574 PolarHBondContact O-N 2.84Å; R571-I575 HydrophobicContact CG-CD1 3.63Å; R571-I575 HydrophobicContact CG-CG1 4.23Å; R571-I575 WeakPolarHBondContact O-CB 3.28Å; R571-I575 WeakPolarHBondContact O-CG1 3.13Å; R571-I575 PolarHBondContact O-N 3.19Å; R571-F589 HydrophobicContact CB-CD1 4.48Å; R571-F589 HydrophobicContact CB-CE1 3.72Å; R571-F589 HydrophobicContact CB-CE2 4.14Å; R571-F589 HydrophobicContact CB-CZ 3.54Å; R571-F589 HydrophobicContact CG-CD1 4.44Å; R571-F589 HydrophobicContact CG-CD2 4.17Å; R571-F589 HydrophobicContact CG-CE1 4.03Å; R571-F589 HydrophobicContact CG-CE2 3.75Å; R571-F589 HydrophobicContact CG-CZ 3.69Å; R571-D593 IonicContact CZ-OD1 2.72Å; R571-D593 IonicContact CZ-OD2 3.14Å; R571-D593 VanDerWaalsContact CZ-OD2 3.3Å; R571-D593 IonicContact NH1-OD1 2.67Å; R571-D593 IonicContact NH1-OD2 2.77Å; R571-D593 PolarHBondContact NH1-OD2 2.71Å; R571-D593 IonicContact NH2-OD1 3.48Å; R571-D593 PolarHBondContact NH2-OD1 3.07Å; R571-D593 IonicContact NH2-OD2 2.65Å; R571-D593 PolarHBondContact NH2-OD2 3Å
572	S	96.2	Very high	95.6	Very high	75 Å²	75	50.7 Å²	50.7	52%	0.524	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-44.7	178.7	-171.5	0	0	0	0	111.6	V568 W569 F570 K576	V568-S572 WeakPolarHBondContact O-CB 3.38Å; V568-S572 PolarHBondContact O-N 3.09Å; W569-S572 PolarHBondContact O-N 3.19Å; F570-S572 VanDerWaalsContact C-N 3.33Å; F570-S572 PolarHBondContact O-N 3.03Å; S572-K576 WeakPolarHBondContact O-CB 3.34Å; S572-K576 PolarHBondContact O-N 2.87Å
573	A	95.6	Very high	95.4	Very high	15 Å²	15	53.1 Å²	53.1	12%	0.124	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-49.2	177.9	0	0	0	0	0	113.1	W569 F570 R571 E577 V669 F673	W569-A573 PolarHBondContact O-N 3.19Å; W569-A573 VanDerWaalsContact O-N 3.14Å; F570-A573 PolarHBondContact O-N 3.09Å; R571-A573 VanDerWaalsContact C-N 3.32Å; R571-A573 PolarHBondContact O-N 3.22Å; A573-E577 PolarHBondContact O-N 3.32Å; A573-V669 HydrophobicContact CB-CG1 4.24Å; A573-F673 HydrophobicContact CB-CD2 3.96Å
574	V	94.7	Very high	95.3	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-73.3	-30.8	-176.1	-58.1	0	0	0	0	113.5	F570 R571 N578 A579 M580 F589 L666 V669	F570-V574 HydrophobicContact CD1-CG1 4.42Å; F570-V574 HydrophobicContact CD2-CG1 4.07Å; F570-V574 HydrophobicContact CE1-CG1 3.99Å; F570-V574 HydrophobicContact CE2-CG1 3.58Å; F570-V574 HydrophobicContact CG-CG1 4.46Å; F570-V574 HydrophobicContact CZ-CG1 3.54Å; F570-V574 PolarHBondContact O-N 2.87Å; R571-V574 PolarHBondContact O-N 2.84Å; V574-N578 WeakPolarHBondContact O-CA 3.28Å; V574-N578 PolarHBondContact O-N 3.02Å; V574-N578 VanDerWaalsContact O-N 3.16Å; V574-A579 PolarHBondContact O-N 2.66Å; V574-A579 VanDerWaalsContact O-N 3.1Å; V574-M580 HydrophobicContact CB-CB 4.11Å; V574-M580 HydrophobicContact CG1-CE 4.19Å; V574-M580 HydrophobicContact CG2-CB 4.46Å; V574-M580 HydrophobicContact CG2-SD 4.44Å; V574-F589 HydrophobicContact CG2-CE2 4.21Å; V574-F589 HydrophobicContact CG2-CZ 4.4Å; V574-L666 HydrophobicContact CG1-CD1 4.41Å; V574-V669 HydrophobicContact CG1-CG1 4.27Å
575	I	94.2	Very high	95.1	Very high	95 Å²	95	54.7 Å²	54.7	49%	0.487	29%	0.291	S	S	.	.	H	α-helix	trans	-72.6	-50.8	173.6	-68.8	-178.3	0	0	0	110.6	R571 E577 N578 M585	R571-I575 HydrophobicContact CG-CD1 3.63Å; R571-I575 HydrophobicContact CG-CG1 4.23Å; R571-I575 WeakPolarHBondContact O-CB 3.28Å; R571-I575 WeakPolarHBondContact O-CG1 3.13Å; R571-I575 PolarHBondContact O-N 3.19Å; I575-E577 VanDerWaalsContact C-N 3.29Å; I575-E577 PolarHBondContact O-N 3.14Å; I575-N578 PolarHBondContact O-N 2.86Å; I575-M585 HydrophobicContact CD1-SD 4.39Å; I575-M585 HydrophobicContact CG1-SD 3.92Å
576	K	93	Very high	95.1	Very high	157 Å²	157	58.2 Å²	58.2	68%	0.683	31%	0.313	S	S	*	.	H	α-helix	trans	-54.8	-45.7	-178.4	173.6	179.4	172.2	-83.9	0	111.8	S572 N578	S572-K576 WeakPolarHBondContact O-CB 3.34Å; S572-K576 PolarHBondContact O-N 2.87Å; K576-N578 VanDerWaalsContact C-N 3.33Å
577	E	91.1	Very high	95	Very high	80 Å²	80	59.7 Å²	59.7	37%	0.374	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.8	179.5	-61.2	-53.2	139.3	0	0	113	A573 I575 A579 K665 V669	A573-E577 PolarHBondContact O-N 3.32Å; I575-E577 VanDerWaalsContact C-N 3.29Å; I575-E577 PolarHBondContact O-N 3.14Å; E577-A579 HydrophobicContact CB-CB 4.2Å; E577-A579 PolarHBondContact O-N 3.05Å; E577-K665 WeakPolarHBondContact O-CE 3.08Å; E577-K665 PolarHBondContact O-NZ 2.84Å; E577-V669 HydrophobicContact CB-CG2 3.83Å; E577-V669 HydrophobicContact CG-CG2 3.89Å
578	N	91.9	Very high	95	Very high	124 Å²	124	59.5 Å²	59.5	66%	0.663	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	61.3	-169.9	-171.9	7.1	0	0	0	111.5	V574 I575 K576 K665	V574-N578 WeakPolarHBondContact O-CA 3.28Å; V574-N578 PolarHBondContact O-N 3.02Å; V574-N578 VanDerWaalsContact O-N 3.16Å; I575-N578 PolarHBondContact O-N 2.86Å; K576-N578 VanDerWaalsContact C-N 3.33Å; N578-K665 WeakPolarHBondContact O-CE 3.31Å; N578-K665 PolarHBondContact O-NZ 3.24Å
579	A	90.4	Very high	95	Very high	7 Å²	7	56.4 Å²	56.4	6%	0.058	30%	0.3	C	S	.	.			trans	-109.4	-15.6	-168.8	0	0	0	0	0	114.6	V574 E577 K665 L666 V669	V574-A579 PolarHBondContact O-N 2.66Å; V574-A579 VanDerWaalsContact O-N 3.1Å; E577-A579 HydrophobicContact CB-CB 4.2Å; E577-A579 PolarHBondContact O-N 3.05Å; A579-K665 HydrophobicContact CB-CD 4.33Å; A579-K665 HydrophobicContact CB-CG 4.03Å; A579-L666 WeakPolarHBondContact O-CB 3.37Å; A579-V669 HydrophobicContact CB-CB 4.22Å; A579-V669 HydrophobicContact CB-CG2 3.77Å
580	M	94	Very high	95	Very high	11 Å²	11	54.6 Å²	54.6	5%	0.054	30%	0.302	C	S	.	.	S	Bend	trans	-110.6	137.1	-175.3	-177.4	173.3	-78	0	0	111	F570 V574 L584 M585 L588 L656 L666	F570-M580 HydrophobicContact CE1-CE 3.88Å; F570-M580 HydrophobicContact CZ-CE 4.04Å; V574-M580 HydrophobicContact CB-CB 4.11Å; V574-M580 HydrophobicContact CG1-CE 4.19Å; V574-M580 HydrophobicContact CG2-CB 4.46Å; V574-M580 HydrophobicContact CG2-SD 4.44Å; M580-L584 HydrophobicContact CE-CD2 4.25Å; M580-L584 HydrophobicContact CE-CG 4.41Å; M580-L584 HydrophobicContact CG-CB 4.15Å; M580-L584 HydrophobicContact CG-CD2 4.05Å; M580-L584 HydrophobicContact CG-CG 4.05Å; M580-L584 HydrophobicContact SD-CD2 4.34Å; M580-L584 HydrophobicContact SD-CG 4.01Å; M580-M585 HydrophobicContact CG-CB 4.13Å; M580-M585 HydrophobicContact SD-CB 3.96Å; M580-L588 HydrophobicContact CE-CD2 4.1Å; M580-L588 HydrophobicContact SD-CD2 4.19Å; M580-L656 HydrophobicContact CE-CD1 3.65Å; M580-L666 HydrophobicContact CB-CD1 4.22Å; M580-L666 HydrophobicContact CE-CD1 3.95Å
581	P	94.9	Very high	95	Very high	58 Å²	58	54.5 Å²	54.5	38%	0.377	30%	0.301	S	S	.	.			trans	-61.2	140.2	172.9	-22.5	33.6	0	0	0	112.2	G583 L584 M585 I663	P581-G583 VanDerWaalsContact C-N 3.29Å; P581-G583 PolarHBondContact O-N 2.99Å; P581-L584 PolarHBondContact O-N 3Å; P581-M585 PolarHBondContact O-N 3.49Å; P581-I663 HydrophobicContact CG-CD1 3.42Å; P581-I663 VanDerWaalsContact CG-CD1 3.42Å
582	E	93.3	Very high	95	Very high	151 Å²	151	51.4 Å²	51.4	71%	0.706	29%	0.29	S	S	*	.	H	α-helix	trans	-55.6	-39.3	-176	-174.8	173.9	-160.8	0	0	113.5	M585 T586	E582-M585 PolarHBondContact O-N 3.23Å; E582-T586 WeakPolarHBondContact O-CB 3.47Å; E582-T586 PolarHBondContact O-N 2.93Å; E582-T586 PolarHBondContact O-OG1 2.67Å
583	G	95.4	Very high	95.1	Very high	56 Å²	56	50 Å²	50	58%	0.577	28%	0.276	S	S	*	.	H	α-helix	trans	-63.4	-40.1	175.5	0	0	0	0	0	113.6	P581 L587	P581-G583 VanDerWaalsContact C-N 3.29Å; P581-G583 PolarHBondContact O-N 2.99Å; G583-L587 WeakPolarHBondContact O-CB 3.4Å; G583-L587 PolarHBondContact O-N 3.41Å
584	L	95.6	Very high	95.2	Very high	16 Å²	16	51 Å²	51	8%	0.084	28%	0.282	C	S	.	.	H	α-helix	trans	-72.9	-38.9	175.9	176.8	60.7	0	0	0	111.4	M580 P581 T586 L587 L588 E655 L656 A659 L666	M580-L584 HydrophobicContact CE-CD2 4.25Å; M580-L584 HydrophobicContact CE-CG 4.41Å; M580-L584 HydrophobicContact CG-CB 4.15Å; M580-L584 HydrophobicContact CG-CD2 4.05Å; M580-L584 HydrophobicContact CG-CG 4.05Å; M580-L584 HydrophobicContact SD-CD2 4.34Å; M580-L584 HydrophobicContact SD-CG 4.01Å; P581-L584 PolarHBondContact O-N 3Å; L584-T586 VanDerWaalsContact C-N 3.3Å; L584-T586 PolarHBondContact O-N 3.01Å; L584-L587 HydrophobicContact CD1-CD2 4.45Å; L584-L587 PolarHBondContact O-N 3.11Å; L584-L588 VanDerWaalsContact O-CB 3.29Å; L584-L588 WeakPolarHBondContact O-CB 3.45Å; L584-L588 PolarHBondContact O-N 3.04Å; L584-E655 HydrophobicContact CD1-CB 3.99Å; L584-L656 HydrophobicContact CD2-CD1 4.28Å; L584-A659 HydrophobicContact CD2-CB 3.45Å; L584-A659 VanDerWaalsContact CD2-CB 3.45Å; L584-L666 HydrophobicContact CD2-CD2 4.3Å
585	M	95.5	Very high	95.4	Very high	54 Å²	54	51.1 Å²	51.1	27%	0.266	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-43.9	173.8	-173.8	175.6	69.7	0	0	110.8	I575 M580 P581 E582 F589	I575-M585 HydrophobicContact CD1-SD 4.39Å; I575-M585 HydrophobicContact CG1-SD 3.92Å; M580-M585 HydrophobicContact CG-CB 4.13Å; M580-M585 HydrophobicContact SD-CB 3.96Å; P581-M585 PolarHBondContact O-N 3.49Å; E582-M585 PolarHBondContact O-N 3.23Å; M585-F589 HydrophobicContact CG-CD2 3.71Å; M585-F589 HydrophobicContact CG-CE2 3.86Å; M585-F589 WeakPolarHBondContact O-CD2 3.34Å; M585-F589 PolarHBondContact O-N 3.29Å
586	T	96.4	Very high	95.6	Very high	79 Å²	79	48 Å²	48	49%	0.485	26%	0.264	S	S	.	.	H	α-helix	trans	-64.6	-49.3	175.5	-56.1	0	0	0	0	111.4	E582 L584 L588 S590	E582-T586 WeakPolarHBondContact O-CB 3.47Å; E582-T586 PolarHBondContact O-N 2.93Å; E582-T586 PolarHBondContact O-OG1 2.67Å; L584-T586 VanDerWaalsContact C-N 3.3Å; L584-T586 PolarHBondContact O-N 3.01Å; T586-L588 PolarHBondContact O-N 2.65Å; T586-S590 WeakPolarHBondContact O-CB 3.31Å; T586-S590 PolarHBondContact O-N 3.42Å; T586-S590 PolarHBondContact O-OG 3.33Å
587	L	97.3	Very high	95.8	Very high	32 Å²	32	45 Å²	45	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-56.4	-47.3	177.6	175	61.4	0	0	0	112	G583 L584 T591 E651 V652 E655	G583-L587 WeakPolarHBondContact O-CB 3.4Å; G583-L587 PolarHBondContact O-N 3.41Å; L584-L587 HydrophobicContact CD1-CD2 4.45Å; L584-L587 PolarHBondContact O-N 3.11Å; L587-T591 WeakPolarHBondContact O-CB 3.5Å; L587-T591 PolarHBondContact O-OG1 3.44Å; L587-E651 HydrophobicContact CD2-CG 4.04Å; L587-V652 HydrophobicContact CD1-CG2 4.18Å; L587-V652 HydrophobicContact CG-CG2 3.94Å; L587-E655 HydrophobicContact CD2-CB 4.45Å
588	L	97.4	Very high	96.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-58	178.5	174.9	62	0	0	0	112	I566 F570 M580 L584 T586 T591 I592 V652 L687	I566-L588 HydrophobicContact CG2-CD1 4.3Å; F570-L588 HydrophobicContact CD1-CD2 4.13Å; F570-L588 HydrophobicContact CE1-CD2 3.89Å; M580-L588 HydrophobicContact CE-CD2 4.1Å; M580-L588 HydrophobicContact SD-CD2 4.19Å; L584-L588 VanDerWaalsContact O-CB 3.29Å; L584-L588 WeakPolarHBondContact O-CB 3.45Å; L584-L588 PolarHBondContact O-N 3.04Å; T586-L588 PolarHBondContact O-N 2.65Å; L588-T591 PolarHBondContact O-N 2.82Å; L588-I592 HydrophobicContact CD1-CD1 3.62Å; L588-I592 WeakPolarHBondContact O-CG1 3.39Å; L588-I592 PolarHBondContact O-N 2.98Å; L588-V652 HydrophobicContact CB-CG1 4.43Å; L588-V652 HydrophobicContact CD1-CG1 3.51Å; L588-L687 HydrophobicContact CD1-CD2 3.84Å
589	F	97.4	Very high	96.5	Very high	9 Å²	9	36.8 Å²	36.8	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-79.1	-34.9	-169.9	-65.2	-60	0	0	0	113.3	I566 R571 V574 M585 T591 I592 D593	I566-F589 HydrophobicContact CG2-CE1 4.01Å; I566-F589 WeakPolarHBondContact O-CE1 3.43Å; R571-F589 HydrophobicContact CB-CD1 4.48Å; R571-F589 HydrophobicContact CB-CE1 3.72Å; R571-F589 HydrophobicContact CB-CE2 4.14Å; R571-F589 HydrophobicContact CB-CZ 3.54Å; R571-F589 HydrophobicContact CG-CD1 4.44Å; R571-F589 HydrophobicContact CG-CD2 4.17Å; R571-F589 HydrophobicContact CG-CE1 4.03Å; R571-F589 HydrophobicContact CG-CE2 3.75Å; R571-F589 HydrophobicContact CG-CZ 3.69Å; V574-F589 HydrophobicContact CG2-CE2 4.21Å; V574-F589 HydrophobicContact CG2-CZ 4.4Å; M585-F589 HydrophobicContact CG-CD2 3.71Å; M585-F589 HydrophobicContact CG-CE2 3.86Å; M585-F589 WeakPolarHBondContact O-CD2 3.34Å; M585-F589 PolarHBondContact O-N 3.29Å; F589-T591 PolarHBondContact O-N 2.9Å; F589-I592 PolarHBondContact O-N 2.87Å; F589-D593 WeakPolarHBondContact O-CB 3.36Å; F589-D593 PolarHBondContact O-N 2.76Å
590	S	96.6	Very high	96.8	Very high	56 Å²	56	41.4 Å²	41.4	39%	0.392	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-20	173.4	74.2	0	0	0	0	113.8	T586 P594	T586-S590 WeakPolarHBondContact O-CB 3.31Å; T586-S590 PolarHBondContact O-N 3.42Å; T586-S590 PolarHBondContact O-OG 3.33Å; S590-P594 WeakPolarHBondContact O-CD 3.38Å; S590-P594 WeakPolarHBondContact O-CG 3.4Å
591	T	96.9	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-84.1	-38.1	176	-59.1	0	0	0	0	111.7	L587 L588 F589 I595 Y645 K648 V652	L587-T591 WeakPolarHBondContact O-CB 3.5Å; L587-T591 PolarHBondContact O-OG1 3.44Å; L588-T591 PolarHBondContact O-N 2.82Å; F589-T591 PolarHBondContact O-N 2.9Å; T591-I595 WeakPolarHBondContact O-CD1 2.97Å; T591-Y645 VanDerWaalsContact CG2-O 3.24Å; T591-Y645 WeakPolarHBondContact CG2-O 3.28Å; T591-K648 HydrophobicContact CG2-CB 4.09Å; T591-V652 HydrophobicContact CG2-CG2 4.28Å
592	I	97.4	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-98	-31.8	-170.4	-58.4	173.9	0	0	0	112.7	L563 I566 T567 L588 F589 I595 Y596 L687	L563-I592 HydrophobicContact CD2-CG2 4.24Å; I566-I592 HydrophobicContact CD1-CD1 4.1Å; I566-I592 HydrophobicContact CG2-CD1 3.91Å; T567-I592 HydrophobicContact CG2-CB 4.42Å; T567-I592 HydrophobicContact CG2-CG2 3.61Å; L588-I592 HydrophobicContact CD1-CD1 3.62Å; L588-I592 WeakPolarHBondContact O-CG1 3.39Å; L588-I592 PolarHBondContact O-N 2.98Å; F589-I592 PolarHBondContact O-N 2.87Å; I592-I595 WeakPolarHBondContact O-CB 3.49Å; I592-I595 PolarHBondContact O-N 3.38Å; I592-Y596 PolarHBondContact O-N 2.9Å; I592-L687 HydrophobicContact CD1-CD2 3.6Å
593	D	97.8	Very high	97.4	Very high	45 Å²	45	33.7 Å²	33.7	24%	0.241	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-40.8	-177.2	-67	-7.2	0	0	0	113.8	T567 R571 F589 I595 Y596 E597	T567-D593 WeakPolarHBondContact CG2-OD1 3.39Å; R571-D593 IonicContact CZ-OD1 2.72Å; R571-D593 IonicContact CZ-OD2 3.14Å; R571-D593 VanDerWaalsContact CZ-OD2 3.3Å; R571-D593 IonicContact NH1-OD1 2.67Å; R571-D593 IonicContact NH1-OD2 2.77Å; R571-D593 PolarHBondContact NH1-OD2 2.71Å; R571-D593 IonicContact NH2-OD1 3.48Å; R571-D593 PolarHBondContact NH2-OD1 3.07Å; R571-D593 IonicContact NH2-OD2 2.65Å; R571-D593 PolarHBondContact NH2-OD2 3Å; F589-D593 WeakPolarHBondContact O-CB 3.36Å; F589-D593 PolarHBondContact O-N 2.76Å; D593-I595 VanDerWaalsContact C-N 3.32Å; D593-I595 PolarHBondContact O-N 2.85Å; D593-Y596 PolarHBondContact O-N 3.22Å; D593-E597 PolarHBondContact O-N 3.01Å; D593-E597 VanDerWaalsContact O-N 3.08Å
594	P	98.1	Very high	97.5	Very high	38 Å²	38	36.8 Å²	36.8	25%	0.247	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-39.3	174.8	-22.3	34.5	0	0	0	112.4	S590 F598 F642 Y645	S590-P594 WeakPolarHBondContact O-CD 3.38Å; S590-P594 WeakPolarHBondContact O-CG 3.4Å; P594-F598 WeakPolarHBondContact O-CB 3.15Å; P594-F598 PolarHBondContact O-N 3.42Å; P594-F642 HydrophobicContact CB-CD1 4.17Å; P594-F642 HydrophobicContact CB-CE1 3.87Å; P594-F642 WeakPolarHBondContact O-CE1 3.45Å; P594-Y645 HydrophobicContact CB-CD2 4.38Å; P594-Y645 HydrophobicContact CB-CE2 4.02Å; P594-Y645 HydrophobicContact CG-CD1 4.41Å; P594-Y645 HydrophobicContact CG-CE1 3.98Å; P594-Y645 HydrophobicContact CG-CE2 4.27Å
595	I	98.2	Very high	97.6	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-47.1	177.3	-61	171.8	0	0	0	109.4	L563 T591 I592 D593 E597 F598 H599 F642 L646 P690	L563-I595 HydrophobicContact CD1-CG2 4.46Å; T591-I595 WeakPolarHBondContact O-CD1 2.97Å; I592-I595 WeakPolarHBondContact O-CB 3.49Å; I592-I595 PolarHBondContact O-N 3.38Å; D593-I595 VanDerWaalsContact C-N 3.32Å; D593-I595 PolarHBondContact O-N 2.85Å; I595-E597 PolarHBondContact O-N 3Å; I595-F598 PolarHBondContact O-N 3.29Å; I595-H599 PolarHBondContact O-CD2 2.8Å; I595-H599 PolarHBondContact O-N 3.04Å; I595-F642 HydrophobicContact CG1-CD1 4.26Å; I595-L646 HydrophobicContact CD1-CD2 3.69Å; I595-L646 HydrophobicContact CD1-CG 4.21Å; I595-P690 HydrophobicContact CD1-CB 4.44Å; I595-P690 HydrophobicContact CG2-CB 4.4Å
596	Y	98.4	Very high	97.6	Very high	29 Å²	29	36.2 Å²	36.2	11%	0.114	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-48.7	178.2	174	-105.9	0	0	0	112.8	L560 L563 E564 T567 I592 D593 H599 R600	L560-Y596 HydrophobicContact CD2-CD2 3.66Å; L560-Y596 HydrophobicContact CD2-CE2 3.62Å; L563-Y596 HydrophobicContact CB-CD2 3.8Å; L563-Y596 HydrophobicContact CD1-CD2 4.1Å; E564-Y596 HydrophobicContact CG-CE2 3.58Å; E564-Y596 PolarHBondContact OE1-OH 3.23Å; T567-Y596 HydrophobicContact CG2-CG 4.32Å; I592-Y596 PolarHBondContact O-N 2.9Å; D593-Y596 PolarHBondContact O-N 3.22Å; Y596-H599 PolarHBondContact O-N 3.46Å; Y596-R600 WeakPolarHBondContact O-CB 3.42Å; Y596-R600 PolarHBondContact O-N 2.85Å
597	E	97.9	Very high	97.5	Very high	94 Å²	94	35.2 Å²	35.2	44%	0.439	18%	0.179	S	C	.	.	H	α-helix	trans	-69.7	-33.3	180	-73.7	-61.6	157.1	0	0	113.2	D593 I595 R600 G601	D593-E597 PolarHBondContact O-N 3.01Å; D593-E597 VanDerWaalsContact O-N 3.08Å; I595-E597 PolarHBondContact O-N 3Å; E597-R600 VanDerWaalsContact CD-NH1 3.29Å; E597-R600 PolarHBondContact O-N 2.58Å; E597-R600 IonicContact OE1-CZ 3.96Å; E597-R600 IonicContact OE1-NE 3.41Å; E597-R600 IonicContact OE1-NH1 2.84Å; E597-R600 PolarHBondContact OE1-NH1 3.18Å; E597-R600 WeakPolarHBondContact OE2-CD 3.24Å; E597-R600 IonicContact OE2-CZ 2.79Å; E597-R600 IonicContact OE2-NH1 2.66Å; E597-R600 PolarHBondContact OE2-NH1 2.75Å; E597-G601 PolarHBondContact O-N 2.89Å
598	F	98.3	Very high	97.3	Very high	28 Å²	28	40 Å²	40	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-54.1	170.1	169.8	-94.7	0	0	0	111.5	P594 I595 R600 G601 F602 N635 A638 L639 F642	P594-F598 WeakPolarHBondContact O-CB 3.15Å; P594-F598 PolarHBondContact O-N 3.42Å; I595-F598 PolarHBondContact O-N 3.29Å; F598-R600 VanDerWaalsContact C-N 3.3Å; F598-R600 PolarHBondContact O-N 3.19Å; F598-G601 WeakPolarHBondContact O-CA 3.46Å; F598-G601 PolarHBondContact O-N 3.33Å; F598-F602 PolarHBondContact O-N 2.92Å; F598-N635 HydrophobicContact CZ-CB 4.07Å; F598-N635 WeakPolarHBondContact CZ-O 3.45Å; F598-A638 HydrophobicContact CE2-CB 3.96Å; F598-L639 HydrophobicContact CD1-CD1 4.04Å; F598-L639 HydrophobicContact CE1-CB 4.37Å; F598-L639 HydrophobicContact CE1-CD1 3.77Å; F598-L639 HydrophobicContact CE1-CD2 4.31Å; F598-L639 HydrophobicContact CE1-CG 4.39Å; F598-L639 HydrophobicContact CZ-CB 4.19Å; F598-L639 HydrophobicContact CZ-CD1 4.36Å; F598-F642 HydrophobicContact CB-CE1 3.94Å; F598-F642 HydrophobicContact CB-CE2 4.24Å; F598-F642 HydrophobicContact CB-CZ 3.71Å; F598-F642 AromaticContact CD2-CE2 3.78Å; F598-F642 HydrophobicContact CD2-CE2 3.78Å; F598-F642 AromaticContact CD2-CZ 3.99Å; F598-F642 HydrophobicContact CD2-CZ 3.99Å; F598-F642 HydrophobicContact CE2-CE2 4.43Å; F598-F642 HydrophobicContact CG-CE2 4.05Å; F598-F642 HydrophobicContact CG-CZ 4.03Å
599	H	98.5	Very high	97	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-34.1	-179.2	-78.8	-90	0	0	0	112	E556 Y559 L560 I595 Y596 G601 F602 L603 Y697	E556-H599 IonicContact OE1-CE1 2.72Å; E556-H599 IonicContact OE1-CG 2.59Å; E556-H599 IonicContact OE1-ND1 3.18Å; E556-H599 PolarHBondContact OE1-ND1 3.22Å; Y559-H599 AromaticContact CD1-ND1 3.87Å; Y559-H599 HydrophobicContact CE1-CB 4.19Å; Y559-H599 AromaticContact CE1-CD2 3.71Å; Y559-H599 AromaticContact CE1-CE1 3.43Å; Y559-H599 VanDerWaalsContact CE1-CE1 3.43Å; Y559-H599 WeakPolarHBondContact CE1-CE1 3.25Å; Y559-H599 AromaticContact CE1-CG 3.56Å; Y559-H599 AromaticContact CE1-ND1 3.4Å; Y559-H599 WeakPolarHBondContact CE1-ND1 3.48Å; Y559-H599 AromaticContact CE1-NE2 3.65Å; L560-H599 HydrophobicContact CD2-CB 3.97Å; L560-H599 HydrophobicContact CG-CB 4.25Å; I595-H599 PolarHBondContact O-CD2 2.8Å; I595-H599 PolarHBondContact O-N 3.04Å; Y596-H599 PolarHBondContact O-N 3.46Å; H599-G601 PolarHBondContact O-N 3.02Å; H599-F602 PolarHBondContact O-N 3.09Å; H599-L603 WeakPolarHBondContact O-CB 3.14Å; H599-L603 PolarHBondContact O-N 2.85Å; H599-Y697 AromaticContact CE1-CE2 3.93Å; H599-Y697 AromaticContact CE1-CZ 3.92Å; H599-Y697 PolarHBondContact CE1-OH 2.86Å; H599-Y697 PolarHBondContact ND1-OH 3.3Å
600	R	98	Very high	96.8	Very high	104 Å²	104	41.1 Å²	41.1	39%	0.392	20%	0.204	S	C	.	.	H	α-helix	trans	-67.9	-20.1	172.2	-177.6	173.1	174.7	-105.3	7.7	113.2	L560 Y596 E597 F598 K604	L560-R600 HydrophobicContact CD2-CB 4.08Å; Y596-R600 WeakPolarHBondContact O-CB 3.42Å; Y596-R600 PolarHBondContact O-N 2.85Å; E597-R600 VanDerWaalsContact CD-NH1 3.29Å; E597-R600 PolarHBondContact O-N 2.58Å; E597-R600 IonicContact OE1-CZ 3.96Å; E597-R600 IonicContact OE1-NE 3.41Å; E597-R600 IonicContact OE1-NH1 2.84Å; E597-R600 PolarHBondContact OE1-NH1 3.18Å; E597-R600 WeakPolarHBondContact OE2-CD 3.24Å; E597-R600 IonicContact OE2-CZ 2.79Å; E597-R600 IonicContact OE2-NH1 2.66Å; E597-R600 PolarHBondContact OE2-NH1 2.75Å; F598-R600 VanDerWaalsContact C-N 3.3Å; F598-R600 PolarHBondContact O-N 3.19Å; R600-K604 VanDerWaalsContact O-CD 3.31Å; R600-K604 WeakPolarHBondContact O-CD 3.49Å; R600-K604 WeakPolarHBondContact O-CE 3.36Å; R600-K604 PolarHBondContact O-NZ 2.99Å
601	G	98	Very high	96.4	Very high	27 Å²	27	40.5 Å²	40.5	28%	0.278	20%	0.202	S	C	.	.	H	α-helix	trans	-75.3	-58.4	162.7	0	0	0	0	0	111.2	E597 F598 H599 L603 K604 E605	E597-G601 PolarHBondContact O-N 2.89Å; F598-G601 WeakPolarHBondContact O-CA 3.46Å; F598-G601 PolarHBondContact O-N 3.33Å; H599-G601 PolarHBondContact O-N 3.02Å; G601-L603 PolarHBondContact O-N 3.37Å; G601-K604 WeakPolarHBondContact O-CB 3.34Å; G601-K604 PolarHBondContact O-N 3.02Å; G601-E605 PolarHBondContact O-N 3.28Å
602	F	98.4	Very high	96	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-53.5	-43.8	-176.7	177.8	-128.7	0	0	0	113.8	E556 F598 H599 K604 E605 L606 V631 M632 N635 M636 Y697	E556-F602 HydrophobicContact CG-CD1 4.41Å; F598-F602 PolarHBondContact O-N 2.92Å; H599-F602 PolarHBondContact O-N 3.09Å; F602-K604 PolarHBondContact O-N 3.4Å; F602-E605 WeakPolarHBondContact O-CB 3.34Å; F602-E605 PolarHBondContact O-N 3.06Å; F602-L606 HydrophobicContact CD1-CD1 4.13Å; F602-L606 HydrophobicContact CD2-CG 4.27Å; F602-L606 HydrophobicContact CE1-CD1 3.7Å; F602-L606 HydrophobicContact CE1-CG 4.29Å; F602-L606 HydrophobicContact CE2-CD1 4.27Å; F602-L606 HydrophobicContact CE2-CD2 3.87Å; F602-L606 HydrophobicContact CE2-CG 3.96Å; F602-L606 HydrophobicContact CZ-CD1 3.8Å; F602-L606 HydrophobicContact CZ-CD2 3.87Å; F602-L606 HydrophobicContact CZ-CG 3.97Å; F602-L606 PolarHBondContact O-N 3.46Å; F602-V631 HydrophobicContact CE2-CG1 4.15Å; F602-M632 HydrophobicContact CE2-SD 4.28Å; F602-M632 HydrophobicContact CZ-CE 4.35Å; F602-M632 HydrophobicContact CZ-SD 3.73Å; F602-N635 HydrophobicContact CD2-CB 3.55Å; F602-N635 HydrophobicContact CE2-CB 3.65Å; F602-N635 HydrophobicContact CG-CB 4.34Å; F602-M636 HydrophobicContact CZ-CE 4.47Å; F602-Y697 WeakPolarHBondContact CD1-OH 3.32Å; F602-Y697 AromaticContact CE1-CE1 3.92Å; F602-Y697 HydrophobicContact CE1-CE1 3.92Å; F602-Y697 AromaticContact CE1-CZ 3.73Å; F602-Y697 WeakPolarHBondContact CE1-OH 3.48Å
603	L	98.3	Very high	95.5	Very high	31 Å²	31	43.8 Å²	43.8	16%	0.162	22%	0.218	C	C	.	.	H	α-helix	trans	-55.5	-38.2	176.3	175.1	63.6	0	0	0	112.1	L553 E556 R557 L560 H599 G601 E605 L606 D607	L553-L603 HydrophobicContact CD1-CD1 3.5Å; E556-L603 HydrophobicContact CB-CD1 4.1Å; E556-L603 HydrophobicContact CG-CB 4.04Å; E556-L603 HydrophobicContact CG-CD1 3.98Å; R557-L603 HydrophobicContact CG-CD1 3.74Å; R557-L603 HydrophobicContact CG-CD2 4.09Å; L560-L603 HydrophobicContact CD1-CB 3.56Å; L560-L603 HydrophobicContact CD1-CD2 3.46Å; L560-L603 VanDerWaalsContact CD1-CD2 3.46Å; L560-L603 HydrophobicContact CD1-CG 4.07Å; H599-L603 WeakPolarHBondContact O-CB 3.14Å; H599-L603 PolarHBondContact O-N 2.85Å; G601-L603 PolarHBondContact O-N 3.37Å; L603-E605 VanDerWaalsContact C-N 3.33Å; L603-E605 PolarHBondContact O-N 2.88Å; L603-L606 PolarHBondContact O-N 3.5Å; L603-D607 WeakPolarHBondContact O-CB 3.48Å; L603-D607 PolarHBondContact O-N 3.19Å
604	K	97.4	Very high	94.7	Very high	120 Å²	120	45.1 Å²	45.1	52%	0.522	22%	0.223	S	C	.	.	H	α-helix	trans	-67.9	-35.7	179.5	-61.7	164	-174	144.8	0	111.3	R600 G601 F602 Q608	R600-K604 VanDerWaalsContact O-CD 3.31Å; R600-K604 WeakPolarHBondContact O-CD 3.49Å; R600-K604 WeakPolarHBondContact O-CE 3.36Å; R600-K604 PolarHBondContact O-NZ 2.99Å; G601-K604 WeakPolarHBondContact O-CB 3.34Å; G601-K604 PolarHBondContact O-N 3.02Å; F602-K604 PolarHBondContact O-N 3.4Å; K604-Q608 VanDerWaalsContact O-CB 3.24Å; K604-Q608 WeakPolarHBondContact O-CB 3.37Å; K604-Q608 PolarHBondContact O-N 2.92Å
605	E	96.9	Very high	93.3	Very high	59 Å²	59	46 Å²	46	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-68.5	-40.9	175.8	-55.8	-167.6	175.4	0	0	111.2	G601 F602 L603 R609 V631 K634 N635	G601-E605 PolarHBondContact O-N 3.28Å; F602-E605 WeakPolarHBondContact O-CB 3.34Å; F602-E605 PolarHBondContact O-N 3.06Å; L603-E605 VanDerWaalsContact C-N 3.33Å; L603-E605 PolarHBondContact O-N 2.88Å; E605-R609 VanDerWaalsContact O-CB 3.28Å; E605-R609 WeakPolarHBondContact O-CB 3.45Å; E605-R609 PolarHBondContact O-N 2.69Å; E605-V631 HydrophobicContact CB-CG1 3.93Å; E605-K634 IonicContact OE1-NZ 3.48Å; E605-K634 PolarHBondContact OE1-NZ 3.5Å; E605-K634 IonicContact OE2-NZ 3.65Å; E605-K634 PolarHBondContact OE2-NZ 2.86Å; E605-N635 PolarHBondContact OE2-ND2 2.91Å
606	L	96.4	Very high	91.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-48.8	172.1	-64.5	178.7	0	0	0	111.8	I552 L553 E556 F602 L603 Q608 R609 L610 I628 V631	I552-L606 HydrophobicContact CG2-CD1 3.86Å; I552-L606 HydrophobicContact CG2-CD2 4.35Å; L553-L606 HydrophobicContact CD1-CB 3.95Å; E556-L606 HydrophobicContact CB-CD1 4.14Å; E556-L606 HydrophobicContact CG-CD1 4.13Å; F602-L606 HydrophobicContact CD1-CD1 4.13Å; F602-L606 HydrophobicContact CD2-CG 4.27Å; F602-L606 HydrophobicContact CE1-CD1 3.7Å; F602-L606 HydrophobicContact CE1-CG 4.29Å; F602-L606 HydrophobicContact CE2-CD1 4.27Å; F602-L606 HydrophobicContact CE2-CD2 3.87Å; F602-L606 HydrophobicContact CE2-CG 3.96Å; F602-L606 HydrophobicContact CZ-CD1 3.8Å; F602-L606 HydrophobicContact CZ-CD2 3.87Å; F602-L606 HydrophobicContact CZ-CG 3.97Å; F602-L606 PolarHBondContact O-N 3.46Å; L603-L606 PolarHBondContact O-N 3.5Å; L606-Q608 PolarHBondContact O-N 2.82Å; L606-R609 PolarHBondContact O-N 2.91Å; L606-L610 WeakPolarHBondContact O-CD2 3.35Å; L606-L610 PolarHBondContact O-N 2.89Å; L606-I628 HydrophobicContact CD2-CD1 3.91Å; L606-V631 HydrophobicContact CD2-CG1 4.22Å
607	D	94.4	Very high	89.1	Confident	58 Å²	58	56.1 Å²	56.1	31%	0.31	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-43.4	-179.3	-118.4	-46.8	0	0	0	111.4	L553 R557 L603 A611	L553-D607 HydrophobicContact CD1-CB 4.26Å; R557-D607 IonicContact CZ-OD1 3Å; R557-D607 IonicContact CZ-OD2 2.93Å; R557-D607 IonicContact NE-OD2 2.86Å; R557-D607 PolarHBondContact NE-OD2 3.08Å; R557-D607 IonicContact NH2-OD1 2.77Å; R557-D607 PolarHBondContact NH2-OD1 3.42Å; R557-D607 IonicContact NH2-OD2 3Å; R557-D607 PolarHBondContact NH2-OD2 2.83Å; L603-D607 WeakPolarHBondContact O-CB 3.48Å; L603-D607 PolarHBondContact O-N 3.19Å; D607-A611 VanDerWaalsContact O-CB 3.25Å; D607-A611 WeakPolarHBondContact O-CB 3.26Å; D607-A611 PolarHBondContact O-N 3.26Å
608	Q	92.9	Very high	86.6	Confident	132 Å²	132	60.1 Å²	60.1	62%	0.617	31%	0.31	S	S	*	.	H	α-helix	trans	-62	-44.4	174.2	-173.9	178.8	10.4	0	0	111.7	K604 L606 A611 L612	K604-Q608 VanDerWaalsContact O-CB 3.24Å; K604-Q608 WeakPolarHBondContact O-CB 3.37Å; K604-Q608 PolarHBondContact O-N 2.92Å; L606-Q608 PolarHBondContact O-N 2.82Å; Q608-A611 PolarHBondContact O-N 2.75Å; Q608-L612 HydrophobicContact CG-CD1 4.22Å; Q608-L612 VanDerWaalsContact O-CG 3.31Å; Q608-L612 WeakPolarHBondContact O-CG 3.32Å; Q608-L612 PolarHBondContact O-N 2.94Å; Q608-L612 VanDerWaalsContact O-N 3.09Å
609	R	91.8	Very high	83.9	Confident	31 Å²	31	61.9 Å²	61.9	12%	0.117	33%	0.329	C	S	.	.	H	α-helix	trans	-64.1	-47.3	-179.8	180	56.5	67.6	88	-1	112	E605 L606 L612 W613 Y625 R627 I628 D630 V631	E605-R609 VanDerWaalsContact O-CB 3.28Å; E605-R609 WeakPolarHBondContact O-CB 3.45Å; E605-R609 PolarHBondContact O-N 2.69Å; L606-R609 PolarHBondContact O-N 2.91Å; R609-L612 PolarHBondContact O-N 3.26Å; R609-W613 PolarHBondContact O-N 2.94Å; R609-Y625 VanDerWaalsContact CD-O 3.27Å; R609-Y625 WeakPolarHBondContact CD-O 3.45Å; R609-R627 WeakPolarHBondContact CD-O 3.46Å; R609-R627 WeakPolarHBondContact CG-O 3.5Å; R609-R627 PolarHBondContact NH1-O 2.9Å; R609-I628 HydrophobicContact CB-CD1 4.33Å; R609-I628 HydrophobicContact CG-CD1 3.81Å; R609-D630 IonicContact CZ-OD1 3.75Å; R609-D630 IonicContact CZ-OD2 3.92Å; R609-D630 IonicContact NH1-OD1 3.53Å; R609-D630 PolarHBondContact NH1-OD1 3.42Å; R609-D630 IonicContact NH1-OD2 2.74Å; R609-D630 IonicContact NH2-OD1 3.25Å; R609-D630 PolarHBondContact NH2-OD1 2.89Å; R609-D630 IonicContact NH2-OD2 3.05Å; R609-D630 PolarHBondContact NH2-OD2 2.94Å; R609-V631 HydrophobicContact CB-CG2 4.45Å; R609-V631 HydrophobicContact CG-CG2 4.39Å
610	L	91.4	Very high	81.5	Confident	3 Å²	3	71.4 Å²	71.4	2%	0.016	37%	0.374	C	S	.	.	H	α-helix	trans	-68.1	-35.1	180	-86.5	-71.2	0	0	0	111.7	Y546 A549 K550 L553 L606 L612 W613 E614 I628	Y546-L610 HydrophobicContact CD2-CD1 3.63Å; Y546-L610 HydrophobicContact CE2-CD1 3.55Å; A549-L610 HydrophobicContact CB-CD1 4.41Å; A549-L610 HydrophobicContact CB-CD2 4.28Å; K550-L610 HydrophobicContact CB-CD1 4.4Å; L553-L610 HydrophobicContact CD2-CB 3.83Å; L553-L610 HydrophobicContact CD2-CG 3.87Å; L606-L610 WeakPolarHBondContact O-CD2 3.35Å; L606-L610 PolarHBondContact O-N 2.89Å; L610-L612 VanDerWaalsContact C-N 3.34Å; L610-L612 PolarHBondContact O-N 2.97Å; L610-W613 PolarHBondContact O-N 3.33Å; L610-E614 PolarHBondContact O-N 3.24Å; L610-I628 HydrophobicContact CD2-CD1 4.02Å
611	A	89.4	Confident	79.2	Confident	43 Å²	43	70.7 Å²	70.7	36%	0.355	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-35.5	174	0	0	0	0	0	113.2	D607 Q608 G615 R616	D607-A611 VanDerWaalsContact O-CB 3.25Å; D607-A611 WeakPolarHBondContact O-CB 3.26Å; D607-A611 PolarHBondContact O-N 3.26Å; Q608-A611 PolarHBondContact O-N 2.75Å; A611-G615 PolarHBondContact O-N 3.21Å; A611-R616 PolarHBondContact O-N 3.36Å
612	L	87.5	Confident	76.8	Confident	49 Å²	49	79.8 Å²	79.8	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-71.5	-40.1	172.5	-69.7	170	0	0	0	111.9	Q608 R609 L610 E614 G615 Y625	Q608-L612 HydrophobicContact CG-CD1 4.22Å; Q608-L612 VanDerWaalsContact O-CG 3.31Å; Q608-L612 WeakPolarHBondContact O-CG 3.32Å; Q608-L612 PolarHBondContact O-N 2.94Å; Q608-L612 VanDerWaalsContact O-N 3.09Å; R609-L612 PolarHBondContact O-N 3.26Å; L610-L612 VanDerWaalsContact C-N 3.34Å; L610-L612 PolarHBondContact O-N 2.97Å; L612-E614 VanDerWaalsContact C-N 3.33Å; L612-E614 PolarHBondContact O-N 3.15Å; L612-G615 PolarHBondContact O-N 2.95Å; L612-Y625 HydrophobicContact CB-CD1 4.49Å; L612-Y625 HydrophobicContact CB-CD2 4.34Å; L612-Y625 HydrophobicContact CB-CG 3.99Å; L612-Y625 HydrophobicContact CD1-CD1 3.86Å; L612-Y625 HydrophobicContact CD1-CE1 4.06Å; L612-Y625 HydrophobicContact CD1-CG 4.15Å
613	W	87.6	Confident	74.9	Confident	21 Å²	21	81.1 Å²	81.1	8%	0.08	43%	0.427	C	S	.	.	H	α-helix	trans	-60.5	-41.4	175.4	-159	-32.9	0	0	0	111.5	A545 Y546 A549 R609 L610 G615 Q626 R627 I628	A545-W613 HydrophobicContact CB-CH2 4.46Å; Y546-W613 HydrophobicContact CD2-CB 4.49Å; Y546-W613 HydrophobicContact CD2-CD2 4.11Å; Y546-W613 HydrophobicContact CD2-CG 4Å; A549-W613 HydrophobicContact CB-CZ3 4.14Å; R609-W613 PolarHBondContact O-N 2.94Å; L610-W613 PolarHBondContact O-N 3.33Å; W613-G615 PolarHBondContact O-N 3.44Å; W613-Q626 HydrophobicContact CD2-CB 4.36Å; W613-Q626 HydrophobicContact CG-CB 4.47Å; W613-Q626 HydrophobicContact CG-CG 4.3Å; W613-Q626 VanDerWaalsContact CZ2-C 3.48Å; W613-Q626 HydrophobicContact CZ2-CB 4.25Å; W613-R627 VanDerWaalsContact CZ3-C 3.46Å; W613-R627 WeakPolarHBondContact CZ3-O 3.42Å; W613-I628 HydrophobicContact CZ3-CB 4.26Å
614	E	81.1	Confident	73.4	Confident	72 Å²	72	84.7 Å²	84.7	34%	0.336	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-5.5	174.7	-72.7	-168.7	-150.3	0	0	114.6	Y546 L610 L612 R616	Y546-E614 HydrophobicContact CE2-CG 3.74Å; Y546-E614 PolarHBondContact OH-OE1 3.26Å; L610-E614 PolarHBondContact O-N 3.24Å; L612-E614 VanDerWaalsContact C-N 3.33Å; L612-E614 PolarHBondContact O-N 3.15Å; E614-R616 VanDerWaalsContact C-N 3.32Å; E614-R616 HydrophobicContact CB-CG 3.99Å; E614-R616 PolarHBondContact O-N 3.2Å; E614-R616 IonicContact OE1-NH2 3.07Å; E614-R616 IonicContact OE2-CZ 3.37Å; E614-R616 IonicContact OE2-NE 4Å; E614-R616 PolarHBondContact OE2-NE 2.96Å; E614-R616 IonicContact OE2-NH2 3.2Å; E614-R616 PolarHBondContact OE2-NH2 2.93Å
615	G	68.8	Low	72.5	Confident	56 Å²	56	83 Å²	83	58%	0.577	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	27.2	178.5	0	0	0	0	0	114.6	A611 L612 W613 S617	A611-G615 PolarHBondContact O-N 3.21Å; L612-G615 PolarHBondContact O-N 2.95Å; W613-G615 PolarHBondContact O-N 3.44Å; G615-S617 PolarHBondContact O-N 2.95Å
616	R	57.3	Low	72	Confident	186 Å²	186	86.8 Å²	86.8	70%	0.702	45%	0.454	S	S	*	.			trans	-79.2	4.1	-177.9	-61.1	-167.1	-172.3	-167.2	9.9	114.6	A611 E614	A611-R616 PolarHBondContact O-N 3.36Å; E614-R616 VanDerWaalsContact C-N 3.32Å; E614-R616 HydrophobicContact CB-CG 3.99Å; E614-R616 PolarHBondContact O-N 3.2Å; E614-R616 IonicContact OE1-NH2 3.07Å; E614-R616 IonicContact OE2-CZ 3.37Å; E614-R616 IonicContact OE2-NE 4Å; E614-R616 PolarHBondContact OE2-NE 2.96Å; E614-R616 IonicContact OE2-NH2 3.2Å; E614-R616 PolarHBondContact OE2-NH2 2.93Å
617	S	51.3	Low	71.6	Confident	59 Å²	59	88.5 Å²	88.5	41%	0.413	46%	0.461	S	S	.	.	S	Bend	trans	-97.8	134.6	179.9	44	0	0	0	0	111.7	G615 A619	G615-S617 PolarHBondContact O-N 2.95Å; S617-A619 PolarHBondContact O-N 2.88Å
618	N	44.1	Very low	71.7	Confident	179 Å²	179	85.7 Å²	85.7	96%	0.957	45%	0.446	S	S	*	.	S	Bend	trans	-74.5	53.2	-174.4	-69.4	-17.1	0	0	0	114.2
619	A	42.4	Very low	71.8	Confident	64 Å²	64	79.4 Å²	79.4	53%	0.529	42%	0.417	S	S	.	.	S	Bend	trans	-152.5	142.3	-179.5	0	0	0	0	0	114.2	S617 V621	S617-A619 PolarHBondContact O-N 2.88Å; A619-V621 HydrophobicContact CB-CG2 3.75Å; A619-V621 PolarHBondContact O-N 2.96Å
620	H	47.1	Very low	71.9	Confident	204 Å²	204	79.8 Å²	79.8	94%	0.944	42%	0.421	S	S	*	.			trans	-74.4	47.3	172.4	-66.4	-59.9	0	0	0	113	K622	H620-K622 PolarHBondContact O-N 2.69Å
621	V	49.8	Very low	72.2	Confident	90 Å²	90	80.1 Å²	80.1	55%	0.545	42%	0.423	S	S	.	.			trans	-80	105.2	-179.7	-177.4	0	0	0	0	110	A619 G623 Y625	A619-V621 HydrophobicContact CB-CG2 3.75Å; A619-V621 PolarHBondContact O-N 2.96Å; V621-G623 PolarHBondContact O-N 2.92Å; V621-Y625 HydrophobicContact CG1-CE2 3.9Å
622	K	48.8	Very low	72.6	Confident	218 Å²	218	78.1 Å²	78.1	95%	0.948	41%	0.406	S	S	*	.			trans	-70.1	92.6	162.5	-68.7	-178.2	177.8	-179	0	108.9	H620	H620-K622 PolarHBondContact O-N 2.69Å
623	G	58.3	Low	73.1	Confident	29 Å²	29	77.8 Å²	77.8	30%	0.299	41%	0.405	S	S	.	.			trans	-141.9	147.2	175.5	0	0	0	0	0	111.5	V621 Y625	V621-G623 PolarHBondContact O-N 2.92Å; G623-Y625 WeakPolarHBondContact O-CD2 3.42Å; G623-Y625 PolarHBondContact O-N 2.81Å
624	D	66.1	Low	73.5	Confident	106 Å²	106	82.1 Å²	82.1	57%	0.567	42%	0.424	S	S	*	.			trans	-78.8	56	-171.6	-55.4	-57.8	0	0	0	113.1	Q626 R627 R713	D624-Q626 VanDerWaalsContact C-N 3.3Å; D624-Q626 PolarHBondContact O-N 2.84Å; D624-R627 WeakPolarHBondContact O-CD 3.32Å; D624-R713 IonicContact OD1-NH1 3.82Å; D624-R713 IonicContact OD2-CZ 3.61Å; D624-R713 IonicContact OD2-NH1 2.69Å; D624-R713 PolarHBondContact OD2-NH1 2.93Å; D624-R713 IonicContact OD2-NH2 3.69Å
625	Y	78	Confident	74.3	Confident	85 Å²	85	79.1 Å²	79.1	33%	0.333	41%	0.41	S	S	.	.			trans	-82.9	-3.7	-178.3	-53.2	-62.8	0	0	0	113.8	R609 L612 V621 G623 R627	R609-Y625 VanDerWaalsContact CD-O 3.27Å; R609-Y625 WeakPolarHBondContact CD-O 3.45Å; L612-Y625 HydrophobicContact CB-CD1 4.49Å; L612-Y625 HydrophobicContact CB-CD2 4.34Å; L612-Y625 HydrophobicContact CB-CG 3.99Å; L612-Y625 HydrophobicContact CD1-CD1 3.86Å; L612-Y625 HydrophobicContact CD1-CE1 4.06Å; L612-Y625 HydrophobicContact CD1-CG 4.15Å; V621-Y625 HydrophobicContact CG1-CE2 3.9Å; G623-Y625 WeakPolarHBondContact O-CD2 3.42Å; G623-Y625 PolarHBondContact O-N 2.81Å; Y625-R627 PolarHBondContact O-N 3.45Å
626	Q	86.5	Confident	75.7	Confident	137 Å²	137	76.4 Å²	76.4	64%	0.64	38%	0.383	S	S	*	.	S	Bend	trans	-84.1	51.2	179.3	-60.4	-165.7	-21.4	0	0	112.1	W613 D624	W613-Q626 HydrophobicContact CD2-CB 4.36Å; W613-Q626 HydrophobicContact CG-CB 4.47Å; W613-Q626 HydrophobicContact CG-CG 4.3Å; W613-Q626 VanDerWaalsContact CZ2-C 3.48Å; W613-Q626 HydrophobicContact CZ2-CB 4.25Å; D624-Q626 VanDerWaalsContact C-N 3.3Å; D624-Q626 PolarHBondContact O-N 2.84Å
627	R	89.8	Confident	77.5	Confident	36 Å²	36	70 Å²	70	14%	0.136	37%	0.366	C	S	.	.			trans	-157	163.5	-175.1	84.4	-171.9	-164.9	123	0.4	110.8	R609 W613 D624 Y625 D630 D714 D717	R609-R627 WeakPolarHBondContact CD-O 3.46Å; R609-R627 WeakPolarHBondContact CG-O 3.5Å; R609-R627 PolarHBondContact NH1-O 2.9Å; W613-R627 VanDerWaalsContact CZ3-C 3.46Å; W613-R627 WeakPolarHBondContact CZ3-O 3.42Å; D624-R627 WeakPolarHBondContact O-CD 3.32Å; Y625-R627 PolarHBondContact O-N 3.45Å; R627-D630 VanDerWaalsContact CZ-CG 3.41Å; R627-D630 IonicContact CZ-OD1 2.66Å; R627-D630 IonicContact CZ-OD2 2.93Å; R627-D630 VanDerWaalsContact CZ-OD2 3.25Å; R627-D630 IonicContact NE-OD1 3.19Å; R627-D630 IonicContact NE-OD2 2.69Å; R627-D630 PolarHBondContact NE-OD2 2.94Å; R627-D630 IonicContact NH2-OD2 3.76Å; R627-D630 PolarHBondContact NH2-OD2 3.12Å; R627-D714 HydrophobicContact CB-CB 4.16Å; R627-D714 WeakPolarHBondContact CB-OD1 3.36Å; R627-D717 IonicContact CZ-OD2 2.65Å; R627-D717 IonicContact NH1-OD2 2.75Å; R627-D717 PolarHBondContact NH1-OD2 2.84Å; R627-D717 IonicContact NH2-OD2 3.7Å
628	I	94.7	Very high	79.6	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.359	C	S	.	.			trans	-138.4	-19.5	-179.6	-160.4	61.3	0	0	0	114.3	A549 I552 L606 R609 L610 W613 D630 V631 M632 L704 D714	A549-I628 HydrophobicContact CB-CB 4.06Å; A549-I628 HydrophobicContact CB-CG1 4.02Å; A549-I628 HydrophobicContact CB-CG2 4.09Å; I552-I628 HydrophobicContact CD1-CG1 4.48Å; L606-I628 HydrophobicContact CD2-CD1 3.91Å; R609-I628 HydrophobicContact CB-CD1 4.33Å; R609-I628 HydrophobicContact CG-CD1 3.81Å; L610-I628 HydrophobicContact CD2-CD1 4.02Å; W613-I628 HydrophobicContact CZ3-CB 4.26Å; I628-D630 VanDerWaalsContact C-N 3.31Å; I628-D630 PolarHBondContact O-N 3.11Å; I628-V631 HydrophobicContact CD1-CB 4.33Å; I628-V631 PolarHBondContact O-N 3.46Å; I628-V631 VanDerWaalsContact O-N 3.14Å; I628-M632 HydrophobicContact CG1-CG 4.24Å; I628-M632 WeakPolarHBondContact O-CG 3.4Å; I628-M632 PolarHBondContact O-N 2.77Å; I628-L704 HydrophobicContact CG2-CD1 3.73Å; I628-D714 PolarHBondContact N-OD1 3.09Å; I628-D714 PolarHBondContact N-OD2 3.42Å
629	G	95.6	Very high	82	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56.9	-38.9	-175.1	0	0	0	0	0	113.7	V631 M632 L633 D714 C718	G629-V631 PolarHBondContact O-N 3.48Å; G629-M632 PolarHBondContact O-N 2.85Å; G629-L633 VanDerWaalsContact O-CB 3.3Å; G629-L633 WeakPolarHBondContact O-CB 3.49Å; G629-L633 PolarHBondContact O-N 2.93Å; G629-D714 VanDerWaalsContact CA-OD1 3.31Å; G629-D714 WeakPolarHBondContact CA-OD1 3.39Å; G629-D714 PolarHBondContact N-OD1 2.78Å; G629-D714 PolarHBondContact N-OD2 3.04Å; G629-C718 WeakPolarHBondContact CA-SG 3.43Å
630	D	95.1	Very high	84.3	Confident	39 Å²	39	60.4 Å²	60.4	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-37.6	177.4	62.1	-22.7	0	0	0	113.8	R609 R627 I628 K634	R609-D630 IonicContact CZ-OD1 3.75Å; R609-D630 IonicContact CZ-OD2 3.92Å; R609-D630 IonicContact NH1-OD1 3.53Å; R609-D630 PolarHBondContact NH1-OD1 3.42Å; R609-D630 IonicContact NH1-OD2 2.74Å; R609-D630 IonicContact NH2-OD1 3.25Å; R609-D630 PolarHBondContact NH2-OD1 2.89Å; R609-D630 IonicContact NH2-OD2 3.05Å; R609-D630 PolarHBondContact NH2-OD2 2.94Å; R627-D630 VanDerWaalsContact CZ-CG 3.41Å; R627-D630 IonicContact CZ-OD1 2.66Å; R627-D630 IonicContact CZ-OD2 2.93Å; R627-D630 VanDerWaalsContact CZ-OD2 3.25Å; R627-D630 IonicContact NE-OD1 3.19Å; R627-D630 IonicContact NE-OD2 2.69Å; R627-D630 PolarHBondContact NE-OD2 2.94Å; R627-D630 IonicContact NH2-OD2 3.76Å; R627-D630 PolarHBondContact NH2-OD2 3.12Å; I628-D630 VanDerWaalsContact C-N 3.31Å; I628-D630 PolarHBondContact O-N 3.11Å; D630-K634 WeakPolarHBondContact O-CB 3.29Å; D630-K634 PolarHBondContact O-N 3.03Å
631	V	96.9	Very high	86.5	Confident	10 Å²	10	57.8 Å²	57.8	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-68.9	-40.9	173.2	-175.4	0	0	0	0	109.9	F602 E605 L606 R609 I628 G629 N635	F602-V631 HydrophobicContact CE2-CG1 4.15Å; E605-V631 HydrophobicContact CB-CG1 3.93Å; L606-V631 HydrophobicContact CD2-CG1 4.22Å; R609-V631 HydrophobicContact CB-CG2 4.45Å; R609-V631 HydrophobicContact CG-CG2 4.39Å; I628-V631 HydrophobicContact CD1-CB 4.33Å; I628-V631 PolarHBondContact O-N 3.46Å; I628-V631 VanDerWaalsContact O-N 3.14Å; G629-V631 PolarHBondContact O-N 3.48Å; V631-N635 WeakPolarHBondContact O-CB 3.47Å; V631-N635 PolarHBondContact O-N 2.97Å; V631-N635 PolarHBondContact O-ND2 2.94Å
632	M	97.6	Very high	88.7	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-52.2	176.1	-66	-58.4	-62.7	0	0	111.6	I552 F602 I628 G629 K634 N635 M636 Y697 L701 A721	I552-M632 HydrophobicContact CD1-CE 4.27Å; I552-M632 HydrophobicContact CD1-CG 4.38Å; I552-M632 HydrophobicContact CD1-SD 3.77Å; I552-M632 HydrophobicContact CG2-SD 4.21Å; F602-M632 HydrophobicContact CE2-SD 4.28Å; F602-M632 HydrophobicContact CZ-CE 4.35Å; F602-M632 HydrophobicContact CZ-SD 3.73Å; I628-M632 HydrophobicContact CG1-CG 4.24Å; I628-M632 WeakPolarHBondContact O-CG 3.4Å; I628-M632 PolarHBondContact O-N 2.77Å; G629-M632 PolarHBondContact O-N 2.85Å; M632-K634 PolarHBondContact O-N 2.94Å; M632-N635 PolarHBondContact O-N 3.36Å; M632-M636 HydrophobicContact CE-CE 4.17Å; M632-M636 HydrophobicContact CE-SD 4.43Å; M632-M636 WeakPolarHBondContact O-CB 3.37Å; M632-M636 VanDerWaalsContact O-CG 3.28Å; M632-M636 WeakPolarHBondContact O-CG 3.38Å; M632-M636 PolarHBondContact O-N 3.37Å; M632-Y697 HydrophobicContact CE-CD1 4.23Å; M632-L701 HydrophobicContact CB-CD2 3.99Å; M632-L701 HydrophobicContact CE-CD1 3.85Å; M632-L701 HydrophobicContact CE-CD2 4.21Å; M632-L701 HydrophobicContact CE-CG 4.04Å; M632-L701 HydrophobicContact CG-CD2 4.05Å; M632-A721 HydrophobicContact CB-CB 3.98Å
633	L	97.7	Very high	90.8	Very high	42 Å²	42	45.2 Å²	45.2	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-54.7	-177.6	176.8	57.7	0	0	0	111.5	G629 N635 M636 C637 E720 A721 E724	G629-L633 VanDerWaalsContact O-CB 3.3Å; G629-L633 WeakPolarHBondContact O-CB 3.49Å; G629-L633 PolarHBondContact O-N 2.93Å; L633-N635 VanDerWaalsContact C-N 3.26Å; L633-N635 PolarHBondContact O-N 3.47Å; L633-M636 PolarHBondContact O-N 3.06Å; L633-C637 PolarHBondContact O-N 3.06Å; L633-C637 PolarHBondContact O-SG 3.07Å; L633-C637 VanDerWaalsContact O-SG 3.34Å; L633-E720 HydrophobicContact CD1-CB 3.83Å; L633-A721 HydrophobicContact CB-CB 4.04Å; L633-A721 HydrophobicContact CD1-CB 4.44Å; L633-E724 HydrophobicContact CD1-CG 4.38Å
634	K	97.4	Very high	92.4	Very high	113 Å²	113	46.7 Å²	46.7	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-49.8	-48.6	176.3	175.2	-165	160.8	-164.3	0	111.7	E605 D630 M632 A638	E605-K634 IonicContact OE1-NZ 3.48Å; E605-K634 PolarHBondContact OE1-NZ 3.5Å; E605-K634 IonicContact OE2-NZ 3.65Å; E605-K634 PolarHBondContact OE2-NZ 2.86Å; D630-K634 WeakPolarHBondContact O-CB 3.29Å; D630-K634 PolarHBondContact O-N 3.03Å; M632-K634 PolarHBondContact O-N 2.94Å; K634-A638 PolarHBondContact O-N 2.68Å
635	N	97.9	Very high	93.8	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.043	22%	0.223	C	C	.	.	H	α-helix	trans	-79.7	-32.3	-174	-73.9	-83	0	0	0	112.3	F598 F602 E605 V631 M632 L633 A638 L639	F598-N635 HydrophobicContact CZ-CB 4.07Å; F598-N635 WeakPolarHBondContact CZ-O 3.45Å; F602-N635 HydrophobicContact CD2-CB 3.55Å; F602-N635 HydrophobicContact CE2-CB 3.65Å; F602-N635 HydrophobicContact CG-CB 4.34Å; E605-N635 PolarHBondContact OE2-ND2 2.91Å; V631-N635 WeakPolarHBondContact O-CB 3.47Å; V631-N635 PolarHBondContact O-N 2.97Å; V631-N635 PolarHBondContact O-ND2 2.94Å; M632-N635 PolarHBondContact O-N 3.36Å; L633-N635 VanDerWaalsContact C-N 3.26Å; L633-N635 PolarHBondContact O-N 3.47Å; N635-A638 PolarHBondContact O-N 2.59Å; N635-L639 VanDerWaalsContact O-CB 3.26Å; N635-L639 WeakPolarHBondContact O-CB 3.41Å; N635-L639 PolarHBondContact O-N 3.44Å
636	M	96.8	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.9	-37.5	173.7	-65.7	-52.2	93.2	0	0	111.8	F602 M632 L633 L639 Y697 L701 A721 E724 V725	F602-M636 HydrophobicContact CZ-CE 4.47Å; M632-M636 HydrophobicContact CE-CE 4.17Å; M632-M636 HydrophobicContact CE-SD 4.43Å; M632-M636 WeakPolarHBondContact O-CB 3.37Å; M632-M636 VanDerWaalsContact O-CG 3.28Å; M632-M636 WeakPolarHBondContact O-CG 3.38Å; M632-M636 PolarHBondContact O-N 3.37Å; L633-M636 PolarHBondContact O-N 3.06Å; M636-L639 HydrophobicContact CE-CD2 3.97Å; M636-L639 PolarHBondContact O-N 3.25Å; M636-L639 HydrophobicContact SD-CD2 4.27Å; M636-Y697 HydrophobicContact CE-CD2 3.74Å; M636-Y697 HydrophobicContact CE-CE2 3.78Å; M636-Y697 HydrophobicContact CE-CG 4.28Å; M636-Y697 HydrophobicContact SD-CD2 3.71Å; M636-Y697 HydrophobicContact SD-CE2 4.35Å; M636-Y697 HydrophobicContact SD-CG 4.12Å; M636-L701 HydrophobicContact CG-CD1 4.23Å; M636-A721 HydrophobicContact CG-CB 4.36Å; M636-E724 HydrophobicContact CB-CB 4.09Å; M636-V725 HydrophobicContact CG-CB 4.19Å; M636-V725 HydrophobicContact SD-CB 3.82Å; M636-V725 HydrophobicContact SD-CG2 3.86Å
637	C	96	Very high	95	Very high	52 Å²	52	39.3 Å²	39.3	35%	0.351	20%	0.198	S	C	.	.	H	α-helix	trans	-61.2	-48.7	171.6	-69.5	0	0	0	0	111.5	L633 L639 K640 E724	L633-C637 PolarHBondContact O-N 3.06Å; L633-C637 PolarHBondContact O-SG 3.07Å; L633-C637 VanDerWaalsContact O-SG 3.34Å; C637-L639 VanDerWaalsContact C-N 3.26Å; C637-L639 PolarHBondContact O-N 2.84Å; C637-K640 WeakPolarHBondContact O-CB 3.24Å; C637-K640 PolarHBondContact O-N 2.81Å; C637-E724 PolarHBondContact SG-OE2 2.8Å
638	A	95.8	Very high	95.2	Very high	33 Å²	33	41.6 Å²	41.6	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-61.8	-34.1	177.1	0	0	0	0	0	112.5	F598 K634 N635 K640 E641 F642	F598-A638 HydrophobicContact CE2-CB 3.96Å; K634-A638 PolarHBondContact O-N 2.68Å; N635-A638 PolarHBondContact O-N 2.59Å; A638-K640 PolarHBondContact O-N 2.91Å; A638-E641 WeakPolarHBondContact O-CB 3.48Å; A638-E641 PolarHBondContact O-N 2.93Å; A638-F642 WeakPolarHBondContact O-CD2 3.44Å
639	L	94.3	Very high	95.2	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-19.6	-179.7	-166.9	49.7	0	0	0	113.2	F598 N635 M636 C637 E641 F642 L694 Y697	F598-L639 HydrophobicContact CD1-CD1 4.04Å; F598-L639 HydrophobicContact CE1-CB 4.37Å; F598-L639 HydrophobicContact CE1-CD1 3.77Å; F598-L639 HydrophobicContact CE1-CD2 4.31Å; F598-L639 HydrophobicContact CE1-CG 4.39Å; F598-L639 HydrophobicContact CZ-CB 4.19Å; F598-L639 HydrophobicContact CZ-CD1 4.36Å; N635-L639 VanDerWaalsContact O-CB 3.26Å; N635-L639 WeakPolarHBondContact O-CB 3.41Å; N635-L639 PolarHBondContact O-N 3.44Å; M636-L639 HydrophobicContact CE-CD2 3.97Å; M636-L639 PolarHBondContact O-N 3.25Å; M636-L639 HydrophobicContact SD-CD2 4.27Å; C637-L639 VanDerWaalsContact C-N 3.26Å; C637-L639 PolarHBondContact O-N 2.84Å; L639-E641 VanDerWaalsContact C-N 3.27Å; L639-E641 PolarHBondContact O-N 3.19Å; L639-F642 HydrophobicContact CD1-CB 4.21Å; L639-F642 HydrophobicContact CD1-CD2 4.31Å; L639-F642 HydrophobicContact CD1-CG 4.43Å; L639-F642 PolarHBondContact O-N 2.81Å; L639-F642 VanDerWaalsContact O-N 3.17Å; L639-L694 HydrophobicContact CD2-CD2 3.36Å; L639-L694 HydrophobicContact CG-CD2 3.88Å; L639-Y697 HydrophobicContact CD2-CD2 4.27Å; L639-Y697 HydrophobicContact CD2-CE2 3.94Å
640	K	90.6	Very high	95	Very high	63 Å²	63	42.9 Å²	42.9	27%	0.274	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-58.4	-36.1	172.4	-71.9	-175.7	161	179.5	0	112.8	C637 A638 F642 T643 E724 E727 I728	C637-K640 WeakPolarHBondContact O-CB 3.24Å; C637-K640 PolarHBondContact O-N 2.81Å; A638-K640 PolarHBondContact O-N 2.91Å; K640-F642 PolarHBondContact O-N 2.97Å; K640-T643 WeakPolarHBondContact O-CB 3.28Å; K640-T643 PolarHBondContact O-N 2.78Å; K640-T643 PolarHBondContact O-OG1 2.75Å; K640-E724 WeakPolarHBondContact CD-OE2 3.39Å; K640-E724 WeakPolarHBondContact CE-OE2 3.48Å; K640-E724 IonicContact NZ-OE1 2.65Å; K640-E724 PolarHBondContact NZ-OE1 2.91Å; K640-E724 IonicContact NZ-OE2 2.72Å; K640-E724 PolarHBondContact NZ-OE2 3.36Å; K640-E727 VanDerWaalsContact CE-OE2 3.29Å; K640-E727 WeakPolarHBondContact CE-OE2 3.45Å; K640-E727 IonicContact NZ-OE2 2.77Å; K640-E727 PolarHBondContact NZ-OE2 2.83Å; K640-I728 HydrophobicContact CB-CD1 4.42Å; K640-I728 HydrophobicContact CG-CD1 3.69Å; K640-I728 HydrophobicContact CG-CG1 3.87Å
641	E	93.3	Very high	95	Very high	150 Å²	150	45.8 Å²	45.8	70%	0.701	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-61.9	-30.2	179.7	-60.5	-176.4	178.7	0	0	111.9	A638 L639 T643 S644	A638-E641 WeakPolarHBondContact O-CB 3.48Å; A638-E641 PolarHBondContact O-N 2.93Å; L639-E641 VanDerWaalsContact C-N 3.27Å; L639-E641 PolarHBondContact O-N 3.19Å; E641-T643 VanDerWaalsContact C-N 3.32Å; E641-T643 PolarHBondContact O-N 2.81Å; E641-S644 PolarHBondContact O-OG 3.49Å
642	F	94.9	Very high	95	Very high	31 Å²	31	45.3 Å²	45.3	14%	0.136	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-82.9	-5.9	-176.6	-61.7	-98	0	0	0	114	P594 I595 F598 A638 L639 K640 S644 Y645 L646	P594-F642 HydrophobicContact CB-CD1 4.17Å; P594-F642 HydrophobicContact CB-CE1 3.87Å; P594-F642 WeakPolarHBondContact O-CE1 3.45Å; I595-F642 HydrophobicContact CG1-CD1 4.26Å; F598-F642 HydrophobicContact CB-CE1 3.94Å; F598-F642 HydrophobicContact CB-CE2 4.24Å; F598-F642 HydrophobicContact CB-CZ 3.71Å; F598-F642 AromaticContact CD2-CE2 3.78Å; F598-F642 HydrophobicContact CD2-CE2 3.78Å; F598-F642 AromaticContact CD2-CZ 3.99Å; F598-F642 HydrophobicContact CD2-CZ 3.99Å; F598-F642 HydrophobicContact CE2-CE2 4.43Å; F598-F642 HydrophobicContact CG-CE2 4.05Å; F598-F642 HydrophobicContact CG-CZ 4.03Å; A638-F642 WeakPolarHBondContact O-CD2 3.44Å; L639-F642 HydrophobicContact CD1-CB 4.21Å; L639-F642 HydrophobicContact CD1-CD2 4.31Å; L639-F642 HydrophobicContact CD1-CG 4.43Å; L639-F642 PolarHBondContact O-N 2.81Å; L639-F642 VanDerWaalsContact O-N 3.17Å; K640-F642 PolarHBondContact O-N 2.97Å; F642-S644 PolarHBondContact O-N 2.84Å; F642-S644 VanDerWaalsContact O-N 3.12Å; F642-Y645 HydrophobicContact CB-CD2 4.19Å; F642-Y645 AromaticContact CD1-CD2 3.94Å; F642-Y645 HydrophobicContact CD1-CD2 3.94Å; F642-Y645 HydrophobicContact CD1-CE2 4.08Å; F642-Y645 HydrophobicContact CG-CD2 4.44Å; F642-Y645 PolarHBondContact O-N 2.99Å; F642-L646 PolarHBondContact O-N 2.85Å; F642-L646 VanDerWaalsContact O-N 3.16Å
643	T	92.8	Very high	94.8	Very high	13 Å²	13	45.3 Å²	45.3	8%	0.08	23%	0.226	C	C	.	.	H	α-helix	trans	-55.4	-32.8	178.7	-48.6	0	0	0	0	112.3	K640 E641 Y645 L646 Q647 I728 L732	K640-T643 WeakPolarHBondContact O-CB 3.28Å; K640-T643 PolarHBondContact O-N 2.78Å; K640-T643 PolarHBondContact O-OG1 2.75Å; E641-T643 VanDerWaalsContact C-N 3.32Å; E641-T643 PolarHBondContact O-N 2.81Å; T643-Y645 VanDerWaalsContact C-N 3.31Å; T643-Y645 PolarHBondContact O-N 2.8Å; T643-L646 PolarHBondContact O-N 3.42Å; T643-Q647 VanDerWaalsContact O-CG 3.3Å; T643-Q647 WeakPolarHBondContact O-CG 3.48Å; T643-Q647 PolarHBondContact O-N 3.43Å; T643-I728 HydrophobicContact CG2-CG2 4.27Å; T643-L732 HydrophobicContact CG2-CD2 4.26Å; T643-L732 HydrophobicContact CG2-CG 4.46Å
644	S	93.4	Very high	94.6	Very high	60 Å²	60	44.6 Å²	44.6	42%	0.42	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-26.1	176.8	64.2	0	0	0	0	114.4	E641 F642	E641-S644 PolarHBondContact O-OG 3.49Å; F642-S644 PolarHBondContact O-N 2.84Å; F642-S644 VanDerWaalsContact O-N 3.12Å
645	Y	95.8	Very high	94.5	Very high	74 Å²	74	42.3 Å²	42.3	29%	0.29	21%	0.214	S	C	.	.	H	α-helix	trans	-81	-46.4	170	-56.8	-72.5	0	0	0	110.2	T591 P594 F642 T643 Q647 K648	T591-Y645 VanDerWaalsContact CG2-O 3.24Å; T591-Y645 WeakPolarHBondContact CG2-O 3.28Å; P594-Y645 HydrophobicContact CB-CD2 4.38Å; P594-Y645 HydrophobicContact CB-CE2 4.02Å; P594-Y645 HydrophobicContact CG-CD1 4.41Å; P594-Y645 HydrophobicContact CG-CE1 3.98Å; P594-Y645 HydrophobicContact CG-CE2 4.27Å; F642-Y645 HydrophobicContact CB-CD2 4.19Å; F642-Y645 AromaticContact CD1-CD2 3.94Å; F642-Y645 HydrophobicContact CD1-CD2 3.94Å; F642-Y645 HydrophobicContact CD1-CE2 4.08Å; F642-Y645 HydrophobicContact CG-CD2 4.44Å; F642-Y645 PolarHBondContact O-N 2.99Å; T643-Y645 VanDerWaalsContact C-N 3.31Å; T643-Y645 PolarHBondContact O-N 2.8Å; Y645-Q647 PolarHBondContact O-N 2.68Å; Y645-K648 WeakPolarHBondContact O-CB 3.5Å; Y645-K648 PolarHBondContact O-N 2.98Å
646	L	94.1	Very high	94.3	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-35.6	-179	-66.6	171.2	0	0	0	112.9	I595 F642 T643 K648 H649 P690 I691 L694 L732	I595-L646 HydrophobicContact CD1-CD2 3.69Å; I595-L646 HydrophobicContact CD1-CG 4.21Å; F642-L646 PolarHBondContact O-N 2.85Å; F642-L646 VanDerWaalsContact O-N 3.16Å; T643-L646 PolarHBondContact O-N 3.42Å; L646-K648 PolarHBondContact O-N 2.98Å; L646-H649 WeakPolarHBondContact O-CB 3.45Å; L646-H649 PolarHBondContact O-N 2.82Å; L646-P690 HydrophobicContact CD2-CB 3.52Å; L646-I691 HydrophobicContact CB-CG1 4.44Å; L646-I691 HydrophobicContact CD2-CG1 4.08Å; L646-L694 HydrophobicContact CD1-CD1 3.69Å; L646-L732 HydrophobicContact CB-CD1 3.81Å; L646-L732 HydrophobicContact CB-CD2 4.38Å; L646-L732 HydrophobicContact CD1-CD1 3.77Å; L646-L732 HydrophobicContact CG-CD1 4.41Å
647	Q	93.9	Very high	94.1	Very high	94 Å²	94	42.4 Å²	42.4	44%	0.439	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.8	173.9	-74	169.3	-4.3	0	0	113.7	T643 Y645 H649 L732	T643-Q647 VanDerWaalsContact O-CG 3.3Å; T643-Q647 WeakPolarHBondContact O-CG 3.48Å; T643-Q647 PolarHBondContact O-N 3.43Å; Y645-Q647 PolarHBondContact O-N 2.68Å; Q647-H649 VanDerWaalsContact C-N 3.35Å; Q647-L732 HydrophobicContact CG-CD2 3.77Å
648	K	95.3	Very high	93.9	Very high	84 Å²	84	44 Å²	44	37%	0.365	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8	179.1	-60.6	177.3	-175.1	177.8	0	114	T591 Y645 L646 D650 E651 V652	T591-K648 HydrophobicContact CG2-CB 4.09Å; Y645-K648 WeakPolarHBondContact O-CB 3.5Å; Y645-K648 PolarHBondContact O-N 2.98Å; L646-K648 PolarHBondContact O-N 2.98Å; K648-D650 PolarHBondContact O-N 3.49Å; K648-D650 VanDerWaalsContact O-N 3.12Å; K648-E651 WeakPolarHBondContact O-CB 3.32Å; K648-E651 PolarHBondContact O-N 2.96Å; K648-V652 WeakPolarHBondContact O-CG2 3.17Å; K648-V652 PolarHBondContact O-N 3.05Å
649	H	94.6	Very high	93.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-29.1	-179.4	-85.3	-113.9	0	0	0	113.2	L646 Q647 L653 L687 I691 L739	L646-H649 WeakPolarHBondContact O-CB 3.45Å; L646-H649 PolarHBondContact O-N 2.82Å; Q647-H649 VanDerWaalsContact C-N 3.35Å; H649-L653 VanDerWaalsContact O-CB 3.29Å; H649-L653 WeakPolarHBondContact O-CB 3.29Å; H649-L653 PolarHBondContact O-N 2.99Å; H649-L687 PolarHBondContact ND1-O 2.87Å; H649-I691 HydrophobicContact CB-CD1 4.18Å; H649-L739 HydrophobicContact CB-CD1 4.11Å
650	D	91.7	Very high	93.7	Very high	27 Å²	27	43.5 Å²	43.5	14%	0.144	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-41.9	173.4	-179.1	70	0	0	0	113.4	K648 T654 R738 L739	K648-D650 PolarHBondContact O-N 3.49Å; K648-D650 VanDerWaalsContact O-N 3.12Å; D650-T654 WeakPolarHBondContact O-CB 3.49Å; D650-T654 PolarHBondContact O-N 3Å; D650-T654 PolarHBondContact O-OG1 3.17Å; D650-R738 IonicContact OD1-CZ 2.6Å; D650-R738 VanDerWaalsContact OD1-CZ 3.28Å; D650-R738 IonicContact OD1-NH1 3.41Å; D650-R738 PolarHBondContact OD1-NH1 2.9Å; D650-R738 IonicContact OD1-NH2 2.72Å; D650-R738 PolarHBondContact OD1-NH2 3.09Å; D650-R738 IonicContact OD2-CZ 2.84Å; D650-R738 IonicContact OD2-NH1 3.28Å; D650-R738 PolarHBondContact OD2-NH1 3.42Å; D650-R738 IonicContact OD2-NH2 2.79Å; D650-R738 PolarHBondContact OD2-NH2 2.84Å; D650-L739 HydrophobicContact CB-CD2 4.15Å; D650-L739 HydrophobicContact CB-CG 4.39Å
651	E	94.8	Very high	93.7	Very high	100 Å²	100	45.8 Å²	45.8	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-64.1	-47.2	173.8	-166.4	-171.6	171.8	0	0	110.2	L587 K648 L653 T654 E655	L587-E651 HydrophobicContact CD2-CG 4.04Å; K648-E651 WeakPolarHBondContact O-CB 3.32Å; K648-E651 PolarHBondContact O-N 2.96Å; E651-L653 PolarHBondContact O-N 3.41Å; E651-T654 PolarHBondContact O-N 2.87Å; E651-E655 WeakPolarHBondContact O-CB 3.5Å; E651-E655 PolarHBondContact O-N 2.83Å
652	V	96.4	Very high	93.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.4	-53.3	176.2	172.4	0	0	0	0	111.4	L587 L588 T591 K648 L656 L687	L587-V652 HydrophobicContact CD1-CG2 4.18Å; L587-V652 HydrophobicContact CG-CG2 3.94Å; L588-V652 HydrophobicContact CB-CG1 4.43Å; L588-V652 HydrophobicContact CD1-CG1 3.51Å; T591-V652 HydrophobicContact CG2-CG2 4.28Å; K648-V652 WeakPolarHBondContact O-CG2 3.17Å; K648-V652 PolarHBondContact O-N 3.05Å; V652-L656 WeakPolarHBondContact O-CB 3.44Å; V652-L656 PolarHBondContact O-N 2.63Å; V652-L687 HydrophobicContact CG1-CD2 3.97Å
653	L	94.4	Very high	93.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-39.3	-178	-177.8	62.2	0	0	0	111.7	H649 E651 E657 N684 L687 L739 F742	H649-L653 VanDerWaalsContact O-CB 3.29Å; H649-L653 WeakPolarHBondContact O-CB 3.29Å; H649-L653 PolarHBondContact O-N 2.99Å; E651-L653 PolarHBondContact O-N 3.41Å; L653-E657 WeakPolarHBondContact O-CB 3.18Å; L653-E657 PolarHBondContact O-N 3.28Å; L653-E657 VanDerWaalsContact O-N 3.12Å; L653-N684 HydrophobicContact CD1-CB 3.75Å; L653-N684 VanDerWaalsContact CD1-CG 3.41Å; L653-L687 HydrophobicContact CB-CD1 4.49Å; L653-L687 HydrophobicContact CD1-CD1 3.73Å; L653-L739 HydrophobicContact CB-CD2 4.15Å; L653-L739 HydrophobicContact CD2-CD2 3.58Å; L653-L739 HydrophobicContact CG-CD2 4.49Å; L653-F742 HydrophobicContact CD2-CD1 3.78Å; L653-F742 HydrophobicContact CD2-CE1 4.43Å; L653-F742 HydrophobicContact CG-CD1 3.9Å; L653-F742 HydrophobicContact CG-CE1 4.04Å
654	T	92.5	Very high	93.8	Very high	27 Å²	27	56 Å²	56	17%	0.166	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-46.8	179.4	-65.6	0	0	0	0	112	D650 E651 E657 K658	D650-T654 WeakPolarHBondContact O-CB 3.49Å; D650-T654 PolarHBondContact O-N 3Å; D650-T654 PolarHBondContact O-OG1 3.17Å; E651-T654 PolarHBondContact O-N 2.87Å; T654-E657 PolarHBondContact O-N 3.19Å; T654-K658 HydrophobicContact CG2-CD 3.95Å; T654-K658 VanDerWaalsContact CG2-CE 3.49Å; T654-K658 VanDerWaalsContact CG2-NZ 3.35Å; T654-K658 WeakPolarHBondContact O-CB 3.44Å; T654-K658 WeakPolarHBondContact O-CD 3.28Å; T654-K658 VanDerWaalsContact O-CG 3.28Å; T654-K658 WeakPolarHBondContact O-CG 3.46Å; T654-K658 PolarHBondContact O-N 3.34Å
655	E	95	Very high	93.8	Very high	65 Å²	65	58.3 Å²	58.3	30%	0.304	26%	0.261	S	S	.	.	H	α-helix	trans	-73.5	-31	178.8	-68.2	-52.4	136.6	0	0	112.6	L584 L587 E651 K658 A659	L584-E655 HydrophobicContact CD1-CB 3.99Å; L587-E655 HydrophobicContact CD2-CB 4.45Å; E651-E655 WeakPolarHBondContact O-CB 3.5Å; E651-E655 PolarHBondContact O-N 2.83Å; E655-K658 VanDerWaalsContact CD-CD 3.48Å; E655-K658 PolarHBondContact O-N 2.88Å; E655-K658 WeakPolarHBondContact OE1-CD 3.08Å; E655-K658 WeakPolarHBondContact OE1-CE 3.34Å; E655-K658 IonicContact OE1-NZ 2.65Å; E655-K658 PolarHBondContact OE1-NZ 2.95Å; E655-K658 WeakPolarHBondContact OE2-CD 3.33Å; E655-A659 WeakPolarHBondContact O-CB 3.47Å; E655-A659 PolarHBondContact O-N 3Å
656	L	94.8	Very high	93.8	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-44	171.2	-177.1	61.9	0	0	0	111.8	M580 L584 V652 A659 S660 Y670 L687	M580-L656 HydrophobicContact CE-CD1 3.65Å; L584-L656 HydrophobicContact CD2-CD1 4.28Å; V652-L656 WeakPolarHBondContact O-CB 3.44Å; V652-L656 PolarHBondContact O-N 2.63Å; L656-A659 PolarHBondContact O-N 2.97Å; L656-S660 WeakPolarHBondContact O-CB 3.37Å; L656-S660 PolarHBondContact O-N 2.83Å; L656-Y670 HydrophobicContact CD2-CE2 4.19Å; L656-Y670 HydrophobicContact CG-CE2 4.35Å; L656-L687 HydrophobicContact CD2-CD1 3.79Å
657	E	91.9	Very high	93.7	Very high	7 Å²	7	57.7 Å²	57.7	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-70.2	-36.8	177.1	-179.1	69	178.4	0	0	112.7	L653 T654 S660 K661 F742 T746	L653-E657 WeakPolarHBondContact O-CB 3.18Å; L653-E657 PolarHBondContact O-N 3.28Å; L653-E657 VanDerWaalsContact O-N 3.12Å; T654-E657 PolarHBondContact O-N 3.19Å; E657-S660 PolarHBondContact O-OG 2.89Å; E657-K661 WeakPolarHBondContact O-CG 3.33Å; E657-K661 PolarHBondContact O-N 2.86Å; E657-K661 WeakPolarHBondContact OE1-CE 3.15Å; E657-K661 IonicContact OE1-NZ 3.13Å; E657-K661 PolarHBondContact OE1-NZ 3.29Å; E657-F742 HydrophobicContact CB-CE1 4.2Å; E657-F742 HydrophobicContact CB-CZ 4.24Å; E657-F742 HydrophobicContact CG-CE1 4.37Å; E657-F742 HydrophobicContact CG-CZ 4.12Å; E657-T746 HydrophobicContact CG-CG2 3.69Å; E657-T746 WeakPolarHBondContact OE1-CG2 3.45Å
658	K	92.2	Very high	93.7	Very high	85 Å²	85	56.4 Å²	56.4	37%	0.37	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-42.3	171.6	-74.6	162	173.7	169.5	0	111.4	T654 E655 R662	T654-K658 HydrophobicContact CG2-CD 3.95Å; T654-K658 VanDerWaalsContact CG2-CE 3.49Å; T654-K658 VanDerWaalsContact CG2-NZ 3.35Å; T654-K658 WeakPolarHBondContact O-CB 3.44Å; T654-K658 WeakPolarHBondContact O-CD 3.28Å; T654-K658 VanDerWaalsContact O-CG 3.28Å; T654-K658 WeakPolarHBondContact O-CG 3.46Å; T654-K658 PolarHBondContact O-N 3.34Å; E655-K658 VanDerWaalsContact CD-CD 3.48Å; E655-K658 PolarHBondContact O-N 2.88Å; E655-K658 WeakPolarHBondContact OE1-CD 3.08Å; E655-K658 WeakPolarHBondContact OE1-CE 3.34Å; E655-K658 IonicContact OE1-NZ 2.65Å; E655-K658 PolarHBondContact OE1-NZ 2.95Å; E655-K658 WeakPolarHBondContact OE2-CD 3.33Å; K658-R662 WeakPolarHBondContact O-CB 3.06Å; K658-R662 WeakPolarHBondContact O-CD 3.43Å; K658-R662 VanDerWaalsContact O-CG 3.24Å; K658-R662 WeakPolarHBondContact O-CG 3.36Å; K658-R662 PolarHBondContact O-N 3.19Å
659	A	94.5	Very high	93.7	Very high	13 Å²	13	53 Å²	53	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-71.3	-39.6	-179.4	0	0	0	0	0	112.1	L584 E655 L656 K661 R662 I663 L666	L584-A659 HydrophobicContact CD2-CB 3.45Å; L584-A659 VanDerWaalsContact CD2-CB 3.45Å; E655-A659 WeakPolarHBondContact O-CB 3.47Å; E655-A659 PolarHBondContact O-N 3Å; L656-A659 PolarHBondContact O-N 2.97Å; A659-K661 VanDerWaalsContact C-N 3.34Å; A659-K661 PolarHBondContact O-N 2.99Å; A659-R662 PolarHBondContact O-N 2.84Å; A659-I663 HydrophobicContact CB-CD1 4.35Å; A659-I663 WeakPolarHBondContact O-CB 3.39Å; A659-I663 WeakPolarHBondContact O-CG1 3.45Å; A659-I663 PolarHBondContact O-N 3.19Å; A659-L666 HydrophobicContact CB-CD2 3.75Å
660	S	91.8	Very high	93.7	Very high	12 Å²	12	53.2 Å²	53.2	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-43.8	176.7	73.9	0	0	0	0	111.3	L656 E657 R662 E667	L656-S660 WeakPolarHBondContact O-CB 3.37Å; L656-S660 PolarHBondContact O-N 2.83Å; E657-S660 PolarHBondContact O-OG 2.89Å; S660-R662 PolarHBondContact O-N 3.39Å; S660-E667 WeakPolarHBondContact O-CB 3.29Å
661	K	89.7	Confident	93.7	Very high	111 Å²	111	56.7 Å²	56.7	48%	0.483	26%	0.26	S	S	.	.	H	α-helix	trans	-67.1	-29.9	176.2	-72.5	171.3	-179.5	157.1	0	114.1	E657 A659	E657-K661 WeakPolarHBondContact O-CG 3.33Å; E657-K661 PolarHBondContact O-N 2.86Å; E657-K661 WeakPolarHBondContact OE1-CE 3.15Å; E657-K661 IonicContact OE1-NZ 3.13Å; E657-K661 PolarHBondContact OE1-NZ 3.29Å; A659-K661 VanDerWaalsContact C-N 3.34Å; A659-K661 PolarHBondContact O-N 2.99Å
662	R	93.3	Very high	93.6	Very high	192 Å²	192	56.7 Å²	56.7	73%	0.725	26%	0.26	S	S	*	.	H	α-helix	trans	-87.8	-34.4	-179.1	-72.6	170.4	176.1	173.1	-2.3	113.2	K658 A659 S660	K658-R662 WeakPolarHBondContact O-CB 3.06Å; K658-R662 WeakPolarHBondContact O-CD 3.43Å; K658-R662 VanDerWaalsContact O-CG 3.24Å; K658-R662 WeakPolarHBondContact O-CG 3.36Å; K658-R662 PolarHBondContact O-N 3.19Å; A659-R662 PolarHBondContact O-N 2.84Å; S660-R662 PolarHBondContact O-N 3.39Å
663	I	95.3	Very high	93.5	Very high	55 Å²	55	56.7 Å²	56.7	28%	0.282	26%	0.26	S	S	.	.			trans	-113.9	92.6	-168.3	-52.6	175.3	0	0	0	109	P581 A659 K665 L666 E667	P581-I663 HydrophobicContact CG-CD1 3.42Å; P581-I663 VanDerWaalsContact CG-CD1 3.42Å; A659-I663 HydrophobicContact CB-CD1 4.35Å; A659-I663 WeakPolarHBondContact O-CB 3.39Å; A659-I663 WeakPolarHBondContact O-CG1 3.45Å; A659-I663 PolarHBondContact O-N 3.19Å; I663-K665 HydrophobicContact CG2-CB 4.33Å; I663-K665 PolarHBondContact O-N 3.18Å; I663-L666 HydrophobicContact CB-CB 3.99Å; I663-L666 HydrophobicContact CG2-CB 3.99Å; I663-L666 WeakPolarHBondContact O-CA 3.08Å; I663-L666 WeakPolarHBondContact O-CB 3.33Å; I663-L666 PolarHBondContact O-N 3.45Å; I663-E667 PolarHBondContact O-N 2.85Å
664	K	94.5	Very high	93.5	Very high	163 Å²	163	57.5 Å²	57.5	71%	0.709	26%	0.264	S	S	*	.	H	α-helix	trans	-51.8	-30	-179.3	-65.1	-176.4	177.9	-179.3	0	114.5	E667 T668	K664-E667 WeakPolarHBondContact O-CB 3.49Å; K664-T668 WeakPolarHBondContact O-CB 3.31Å; K664-T668 PolarHBondContact O-N 3.39Å; K664-T668 PolarHBondContact O-OG1 2.84Å
665	K	94.3	Very high	93.4	Very high	108 Å²	108	59.4 Å²	59.4	47%	0.47	27%	0.273	S	S	.	.	H	α-helix	trans	-67.5	-44.9	174.8	-168.1	-179.3	179.1	-169.3	0	111.8	E577 N578 A579 I663 T668 V669	E577-K665 WeakPolarHBondContact O-CE 3.08Å; E577-K665 PolarHBondContact O-NZ 2.84Å; N578-K665 WeakPolarHBondContact O-CE 3.31Å; N578-K665 PolarHBondContact O-NZ 3.24Å; A579-K665 HydrophobicContact CB-CD 4.33Å; A579-K665 HydrophobicContact CB-CG 4.03Å; I663-K665 HydrophobicContact CG2-CB 4.33Å; I663-K665 PolarHBondContact O-N 3.18Å; K665-T668 PolarHBondContact O-N 3.12Å; K665-V669 WeakPolarHBondContact O-CG2 3.5Å; K665-V669 PolarHBondContact O-N 2.68Å; K665-V669 VanDerWaalsContact O-N 3.07Å
666	L	94.6	Very high	93.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-41	172.7	-174.6	57.5	0	0	0	111	V574 A579 M580 L584 A659 I663 T668 V669 Y670	V574-L666 HydrophobicContact CG1-CD1 4.41Å; A579-L666 WeakPolarHBondContact O-CB 3.37Å; M580-L666 HydrophobicContact CB-CD1 4.22Å; M580-L666 HydrophobicContact CE-CD1 3.95Å; L584-L666 HydrophobicContact CD2-CD2 4.3Å; A659-L666 HydrophobicContact CB-CD2 3.75Å; I663-L666 HydrophobicContact CB-CB 3.99Å; I663-L666 HydrophobicContact CG2-CB 3.99Å; I663-L666 WeakPolarHBondContact O-CA 3.08Å; I663-L666 WeakPolarHBondContact O-CB 3.33Å; I663-L666 PolarHBondContact O-N 3.45Å; L666-T668 VanDerWaalsContact C-N 3.28Å; L666-T668 PolarHBondContact O-N 3.2Å; L666-V669 PolarHBondContact O-N 2.98Å; L666-Y670 WeakPolarHBondContact O-CB 3.43Å; L666-Y670 PolarHBondContact O-N 2.95Å
667	E	93.3	Very high	93.1	Very high	64 Å²	64	67.2 Å²	67.2	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-55.2	-43.2	174.5	-157.6	-160.3	158.4	0	0	112.1	S660 I663 K664 K671	S660-E667 WeakPolarHBondContact O-CB 3.29Å; I663-E667 PolarHBondContact O-N 2.85Å; K664-E667 WeakPolarHBondContact O-CB 3.49Å; E667-K671 HydrophobicContact CG-CD 4.41Å; E667-K671 WeakPolarHBondContact O-CB 3.45Å; E667-K671 WeakPolarHBondContact O-CD 3.45Å; E667-K671 VanDerWaalsContact O-CG 3.25Å; E667-K671 WeakPolarHBondContact O-CG 3.46Å; E667-K671 PolarHBondContact O-N 3.3Å; E667-K671 WeakPolarHBondContact OE1-CE 3.48Å; E667-K671 IonicContact OE1-NZ 2.77Å; E667-K671 PolarHBondContact OE1-NZ 3.18Å
668	T	93.9	Very high	93.2	Very high	68 Å²	68	67.3 Å²	67.3	42%	0.417	31%	0.307	S	S	.	.	H	α-helix	trans	-67.3	-53.1	178.1	-56.4	0	0	0	0	110.8	K664 K665 L666 Y670 K671 E672	K664-T668 WeakPolarHBondContact O-CB 3.31Å; K664-T668 PolarHBondContact O-N 3.39Å; K664-T668 PolarHBondContact O-OG1 2.84Å; K665-T668 PolarHBondContact O-N 3.12Å; L666-T668 VanDerWaalsContact C-N 3.28Å; L666-T668 PolarHBondContact O-N 3.2Å; T668-Y670 VanDerWaalsContact C-N 3.31Å; T668-Y670 PolarHBondContact O-N 2.78Å; T668-K671 PolarHBondContact O-N 2.8Å; T668-K671 VanDerWaalsContact O-N 3.14Å; T668-E672 HydrophobicContact CG2-CG 4.44Å; T668-E672 WeakPolarHBondContact O-CG 3.5Å; T668-E672 PolarHBondContact O-N 3.39Å
669	V	95.1	Very high	93.3	Very high	11 Å²	11	63.6 Å²	63.6	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-39.5	179.6	173.6	0	0	0	0	111.8	A573 V574 E577 A579 K665 L666 E672 F673	A573-V669 HydrophobicContact CB-CG1 4.24Å; V574-V669 HydrophobicContact CG1-CG1 4.27Å; E577-V669 HydrophobicContact CB-CG2 3.83Å; E577-V669 HydrophobicContact CG-CG2 3.89Å; A579-V669 HydrophobicContact CB-CB 4.22Å; A579-V669 HydrophobicContact CB-CG2 3.77Å; K665-V669 WeakPolarHBondContact O-CG2 3.5Å; K665-V669 PolarHBondContact O-N 2.68Å; K665-V669 VanDerWaalsContact O-N 3.07Å; L666-V669 PolarHBondContact O-N 2.98Å; V669-E672 PolarHBondContact O-N 3.38Å; V669-F673 VanDerWaalsContact O-CB 3.26Å; V669-F673 WeakPolarHBondContact O-CB 3.45Å; V669-F673 PolarHBondContact O-N 2.97Å
670	Y	93.5	Very high	93.3	Very high	7 Å²	7	64.5 Å²	64.5	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-49	174.5	-173.6	-65	0	0	0	111	L656 L666 T668 E672 F673 E674 L683 N684	L656-Y670 HydrophobicContact CD2-CE2 4.19Å; L656-Y670 HydrophobicContact CG-CE2 4.35Å; L666-Y670 WeakPolarHBondContact O-CB 3.43Å; L666-Y670 PolarHBondContact O-N 2.95Å; T668-Y670 VanDerWaalsContact C-N 3.31Å; T668-Y670 PolarHBondContact O-N 2.78Å; Y670-E672 PolarHBondContact O-N 3.2Å; Y670-F673 PolarHBondContact O-N 3.17Å; Y670-E674 HydrophobicContact CD1-CG 4.46Å; Y670-E674 HydrophobicContact CE1-CG 4.14Å; Y670-E674 WeakPolarHBondContact CE1-OE1 3.33Å; Y670-E674 PolarHBondContact O-N 2.94Å; Y670-E674 VanDerWaalsContact O-N 3.13Å; Y670-L683 HydrophobicContact CD2-CD2 3.94Å; Y670-L683 HydrophobicContact CE1-CB 4.28Å; Y670-L683 HydrophobicContact CE2-CB 4.35Å; Y670-L683 HydrophobicContact CE2-CD2 3.76Å; Y670-L683 HydrophobicContact CE2-CG 4.33Å; Y670-L683 HydrophobicContact CG-CD2 4.47Å; Y670-N684 PolarHBondContact OH-ND2 2.89Å; Y670-N684 PolarHBondContact OH-OD1 3.25Å
671	K	91.3	Very high	93.4	Very high	100 Å²	100	64.4 Å²	64.4	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-38.4	178.6	-77.9	169.9	173.2	176.2	0	112.6	E667 T668 L675	E667-K671 HydrophobicContact CG-CD 4.41Å; E667-K671 WeakPolarHBondContact O-CB 3.45Å; E667-K671 WeakPolarHBondContact O-CD 3.45Å; E667-K671 VanDerWaalsContact O-CG 3.25Å; E667-K671 WeakPolarHBondContact O-CG 3.46Å; E667-K671 PolarHBondContact O-N 3.3Å; E667-K671 WeakPolarHBondContact OE1-CE 3.48Å; E667-K671 IonicContact OE1-NZ 2.77Å; E667-K671 PolarHBondContact OE1-NZ 3.18Å; T668-K671 PolarHBondContact O-N 2.8Å; T668-K671 VanDerWaalsContact O-N 3.14Å; K671-L675 WeakPolarHBondContact O-CG 3.16Å
672	E	93.4	Very high	93.5	Very high	99 Å²	99	60.1 Å²	60.1	46%	0.463	28%	0.275	S	S	.	.	H	α-helix	trans	-72.2	-32.9	176.7	-71.4	179.1	170.1	0	0	112.2	T668 V669 Y670 L675	T668-E672 HydrophobicContact CG2-CG 4.44Å; T668-E672 WeakPolarHBondContact O-CG 3.5Å; T668-E672 PolarHBondContact O-N 3.39Å; V669-E672 PolarHBondContact O-N 3.38Å; Y670-E672 PolarHBondContact O-N 3.2Å; E672-L675 PolarHBondContact O-N 2.88Å
673	F	95.2	Very high	93.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-42.8	175	-171	-97	0	0	0	112.5	V565 W569 F570 A573 V669 Y670 L675 Q676 V678 C679 L683	V565-F673 HydrophobicContact CG1-CE1 3.85Å; V565-F673 HydrophobicContact CG1-CZ 3.95Å; V565-F673 WeakPolarHBondContact O-CZ 3.29Å; W569-F673 HydrophobicContact CB-CE2 3.91Å; W569-F673 HydrophobicContact CB-CZ 3.85Å; F570-F673 HydrophobicContact CB-CD1 4.46Å; F570-F673 HydrophobicContact CB-CE1 3.95Å; F570-F673 HydrophobicContact CB-CE2 4.14Å; F570-F673 HydrophobicContact CB-CZ 3.77Å; F570-F673 HydrophobicContact CD2-CB 4.31Å; F570-F673 AromaticContact CD2-CD1 3.8Å; F570-F673 HydrophobicContact CD2-CD1 3.8Å; F570-F673 HydrophobicContact CD2-CD2 4.14Å; F570-F673 HydrophobicContact CD2-CE1 4.16Å; F570-F673 HydrophobicContact CD2-CE2 4.48Å; F570-F673 AromaticContact CD2-CG 3.79Å; F570-F673 HydrophobicContact CD2-CG 3.79Å; F570-F673 HydrophobicContact CD2-CZ 4.48Å; F570-F673 HydrophobicContact CE2-CG 4.5Å; F570-F673 HydrophobicContact CG-CE1 4.43Å; A573-F673 HydrophobicContact CB-CD2 3.96Å; V669-F673 VanDerWaalsContact O-CB 3.26Å; V669-F673 WeakPolarHBondContact O-CB 3.45Å; V669-F673 PolarHBondContact O-N 2.97Å; Y670-F673 PolarHBondContact O-N 3.17Å; F673-L675 PolarHBondContact O-N 2.85Å; F673-Q676 WeakPolarHBondContact O-CB 3.36Å; F673-Q676 PolarHBondContact O-N 3.24Å; F673-V678 HydrophobicContact CZ-CG1 4.35Å; F673-C679 HydrophobicContact CD1-CB 4.01Å; F673-C679 HydrophobicContact CE1-CB 3.82Å; F673-C679 VanDerWaalsContact O-CB 3.31Å; F673-C679 WeakPolarHBondContact O-CB 3.45Å; F673-L683 HydrophobicContact CD1-CD1 4.25Å; F673-L683 HydrophobicContact CD1-CD2 4.15Å; F673-L683 HydrophobicContact CE1-CD1 4.01Å
674	E	92.6	Very high	93.4	Very high	18 Å²	18	48.7 Å²	48.7	8%	0.084	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-6.6	173.6	-77	-168.9	160.6	0	0	114.5	Y670 L683 R750	Y670-E674 HydrophobicContact CD1-CG 4.46Å; Y670-E674 HydrophobicContact CE1-CG 4.14Å; Y670-E674 WeakPolarHBondContact CE1-OE1 3.33Å; Y670-E674 PolarHBondContact O-N 2.94Å; Y670-E674 VanDerWaalsContact O-N 3.13Å; E674-L683 HydrophobicContact CG-CB 4.06Å; E674-L683 PolarHBondContact OE1-N 3.43Å; E674-R750 VanDerWaalsContact CD-NH1 3.34Å; E674-R750 IonicContact OE1-CZ 3.93Å; E674-R750 IonicContact OE1-NH1 2.69Å; E674-R750 PolarHBondContact OE1-NH1 2.88Å; E674-R750 IonicContact OE1-NH2 3.89Å; E674-R750 IonicContact OE2-CZ 3.81Å; E674-R750 VanDerWaalsContact OE2-CZ 3.27Å; E674-R750 IonicContact OE2-NH1 2.7Å; E674-R750 PolarHBondContact OE2-NH1 3.47Å; E674-R750 IonicContact OE2-NH2 2.74Å; E674-R750 PolarHBondContact OE2-NH2 2.6Å
675	L	90.8	Very high	93.4	Very high	67 Å²	67	41.5 Å²	41.5	35%	0.351	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-7.5	171.7	-60.9	171	0	0	0	112.9	K671 E672 F673 H918 H919	K671-L675 WeakPolarHBondContact O-CG 3.16Å; E672-L675 PolarHBondContact O-N 2.88Å; F673-L675 PolarHBondContact O-N 2.85Å; L675-H918 HydrophobicContact CD1-CB 3.78Å; L675-H918 WeakPolarHBondContact CD1-ND1 3.43Å; L675-H919 WeakPolarHBondContact CD2-O 3.27Å
676	Q	92.6	Very high	93.5	Very high	81 Å²	81	36.4 Å²	36.4	38%	0.379	18%	0.177	S	C	.	.	S	Bend	trans	-78.8	141.7	177.3	-57.6	-174.5	21.9	0	0	110.6	F673 V678 C679	F673-Q676 WeakPolarHBondContact O-CB 3.36Å; F673-Q676 PolarHBondContact O-N 3.24Å; Q676-V678 HydrophobicContact CB-CG1 4.08Å; Q676-V678 PolarHBondContact O-N 2.85Å; Q676-C679 PolarHBondContact O-N 3.05Å
677	K	92.2	Very high	93.6	Very high	150 Å²	150	36.7 Å²	36.7	65%	0.652	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.1	-175.8	-60.4	-176.4	-178.2	176.2	0	114.4	F984	K677-F984 HydrophobicContact CB-CB 3.72Å; K677-F984 HydrophobicContact CB-CD2 4.09Å; K677-F984 HydrophobicContact CB-CG 3.9Å; K677-F984 HydrophobicContact CD-CD2 3.88Å; K677-F984 HydrophobicContact CD-CE2 4.07Å; K677-F984 HydrophobicContact CD-CG 4.41Å; K677-F984 WeakPolarHBondContact O-CB 3.26Å
678	V	93.5	Very high	93.8	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.055	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-31.8	176.2	63.1	0	0	0	0	112.3	V565 W569 F673 Q676 Y680	V565-V678 HydrophobicContact CG2-CG2 4.05Å; W569-V678 HydrophobicContact CB-CG1 4.21Å; W569-V678 HydrophobicContact CB-CG2 4.4Å; W569-V678 HydrophobicContact CD2-CB 4.44Å; W569-V678 HydrophobicContact CD2-CG1 4.14Å; W569-V678 HydrophobicContact CD2-CG2 4.05Å; W569-V678 HydrophobicContact CE3-CG1 4.23Å; W569-V678 HydrophobicContact CG-CG1 4.14Å; W569-V678 HydrophobicContact CG-CG2 3.8Å; F673-V678 HydrophobicContact CZ-CG1 4.35Å; Q676-V678 HydrophobicContact CB-CG1 4.08Å; Q676-V678 PolarHBondContact O-N 2.85Å; V678-Y680 PolarHBondContact O-N 2.71Å
679	C	94.6	Very high	93.9	Very high	8 Å²	8	30.9 Å²	30.9	5%	0.054	15%	0.146	C	C	.	.			trans	-82.5	63.8	174.1	-159.5	0	0	0	0	109.9	F673 Q676 L681	F673-C679 HydrophobicContact CD1-CB 4.01Å; F673-C679 HydrophobicContact CE1-CB 3.82Å; F673-C679 VanDerWaalsContact O-CB 3.31Å; F673-C679 WeakPolarHBondContact O-CB 3.45Å; Q676-C679 PolarHBondContact O-N 3.05Å; C679-L681 CarbonylContact C-O 3.6Å; C679-L681 PolarHBondContact O-N 3.32Å; C679-L681 PolarHBondContact SG-O 3.43Å
680	Y	93.6	Very high	94	Very high	31 Å²	31	30.5 Å²	30.5	12%	0.122	14%	0.144	C	C	.	.			trans	-73.5	-4.3	-172.8	77.5	-87.3	0	0	0	114.5	D562 V678 F686 T970 F975 P985	D562-Y680 WeakPolarHBondContact OD1-CE1 3.3Å; D562-Y680 PolarHBondContact OD1-OH 3.08Å; V678-Y680 PolarHBondContact O-N 2.71Å; Y680-F686 HydrophobicContact CD1-CE1 4.31Å; Y680-F686 AromaticContact CD1-CZ 3.9Å; Y680-F686 HydrophobicContact CD1-CZ 3.9Å; Y680-F686 AromaticContact CE1-CE1 3.8Å; Y680-F686 HydrophobicContact CE1-CE1 3.8Å; Y680-F686 AromaticContact CE1-CZ 3.85Å; Y680-F686 HydrophobicContact CE1-CZ 3.85Å; Y680-T970 HydrophobicContact CE2-CG2 3.94Å; Y680-F975 AromaticContact CD2-CD1 3.71Å; Y680-F975 HydrophobicContact CD2-CD1 3.71Å; Y680-F975 HydrophobicContact CD2-CD2 4.03Å; Y680-F975 AromaticContact CD2-CE1 3.65Å; Y680-F975 HydrophobicContact CD2-CE1 3.65Å; Y680-F975 AromaticContact CD2-CE2 3.97Å; Y680-F975 HydrophobicContact CD2-CE2 3.97Å; Y680-F975 AromaticContact CD2-CG 3.9Å; Y680-F975 HydrophobicContact CD2-CG 3.9Å; Y680-F975 AromaticContact CD2-CZ 3.78Å; Y680-F975 HydrophobicContact CD2-CZ 3.78Å; Y680-F975 HydrophobicContact CE2-CD1 4.41Å; Y680-F975 AromaticContact CE2-CD2 3.93Å; Y680-F975 HydrophobicContact CE2-CD2 3.93Å; Y680-F975 HydrophobicContact CE2-CE1 4.47Å; Y680-F975 AromaticContact CE2-CE2 3.99Å; Y680-F975 HydrophobicContact CE2-CE2 3.99Å; Y680-F975 HydrophobicContact CE2-CG 4.14Å; Y680-F975 HydrophobicContact CE2-CZ 4.26Å; Y680-P985 HydrophobicContact CG-CG 4.5Å
681	L	93.4	Very high	94.2	Very high	11 Å²	11	30.1 Å²	30.1	6%	0.058	14%	0.143	C	C	.	.	S	Bend	trans	-130.4	165.8	171.2	-62.4	172.6	0	0	0	108.8	C679 T685 F686 T970 N971 F975	C679-L681 CarbonylContact C-O 3.6Å; C679-L681 PolarHBondContact O-N 3.32Å; C679-L681 PolarHBondContact SG-O 3.43Å; L681-T685 HydrophobicContact CD1-CG2 4.35Å; L681-F686 HydrophobicContact CB-CE2 3.8Å; L681-F686 HydrophobicContact CB-CZ 3.88Å; L681-F686 HydrophobicContact CD1-CE1 4.49Å; L681-F686 HydrophobicContact CD1-CZ 4.4Å; L681-F686 HydrophobicContact CG-CZ 4.33Å; L681-F686 WeakPolarHBondContact O-CE2 3.43Å; L681-T970 HydrophobicContact CD1-CG2 4.05Å; L681-T970 HydrophobicContact CD2-CG2 4.37Å; L681-N971 HydrophobicContact CD2-CB 4.06Å; L681-F975 HydrophobicContact CD2-CE2 4.27Å; L681-F975 HydrophobicContact CD2-CZ 4.01Å
682	P	92	Very high	94.5	Very high	21 Å²	21	25.9 Å²	25.9	14%	0.136	12%	0.124	C	C	.	.			trans	-55.5	142.6	169.1	-22.6	34	0	0	0	111.4	N684 T685	P682-N684 VanDerWaalsContact C-N 3.29Å; P682-N684 PolarHBondContact O-N 2.85Å; P682-T685 WeakPolarHBondContact O-CB 3.34Å; P682-T685 PolarHBondContact O-N 2.92Å; P682-T685 PolarHBondContact O-OG1 3.34Å
683	L	93.7	Very high	94.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-38.4	-170.2	177.8	57.8	0	0	0	112.1	I566 F570 Y670 F673 E674 T685 F686	I566-L683 HydrophobicContact CG1-CD1 4.48Å; F570-L683 HydrophobicContact CD1-CD2 4.23Å; F570-L683 HydrophobicContact CD2-CD2 3.67Å; F570-L683 HydrophobicContact CE1-CD2 4.02Å; F570-L683 HydrophobicContact CE2-CD2 3.44Å; F570-L683 VanDerWaalsContact CE2-CD2 3.44Å; F570-L683 HydrophobicContact CG-CD1 4.45Å; F570-L683 HydrophobicContact CG-CD2 4.06Å; F570-L683 HydrophobicContact CZ-CD2 3.63Å; Y670-L683 HydrophobicContact CD2-CD2 3.94Å; Y670-L683 HydrophobicContact CE1-CB 4.28Å; Y670-L683 HydrophobicContact CE2-CB 4.35Å; Y670-L683 HydrophobicContact CE2-CD2 3.76Å; Y670-L683 HydrophobicContact CE2-CG 4.33Å; Y670-L683 HydrophobicContact CG-CD2 4.47Å; F673-L683 HydrophobicContact CD1-CD1 4.25Å; F673-L683 HydrophobicContact CD1-CD2 4.15Å; F673-L683 HydrophobicContact CE1-CD1 4.01Å; E674-L683 HydrophobicContact CG-CB 4.06Å; E674-L683 PolarHBondContact OE1-N 3.43Å; L683-T685 PolarHBondContact O-N 3.19Å; L683-F686 HydrophobicContact CD1-CD2 4.48Å; L683-F686 PolarHBondContact O-N 2.82Å; L683-F686 VanDerWaalsContact O-N 3.15Å
684	N	93.4	Very high	94.7	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-61	-24.3	176.1	-71.4	-4.2	0	0	0	113.5	L653 Y670 P682 L687 Q743 T746	L653-N684 HydrophobicContact CD1-CB 3.75Å; L653-N684 VanDerWaalsContact CD1-CG 3.41Å; Y670-N684 PolarHBondContact OH-ND2 2.89Å; Y670-N684 PolarHBondContact OH-OD1 3.25Å; P682-N684 VanDerWaalsContact C-N 3.29Å; P682-N684 PolarHBondContact O-N 2.85Å; N684-L687 PolarHBondContact O-N 2.96Å; N684-Q743 HydrophobicContact CB-CG 3.71Å; N684-T746 PolarHBondContact ND2-OG1 3.44Å
685	T	94.4	Very high	94.8	Very high	13 Å²	13	22 Å²	22	8%	0.08	11%	0.106	C	C	.	.	H	α-helix	trans	-70.1	-32.8	177.5	-48.5	0	0	0	0	111.5	L681 P682 L683 L687 L688 Q743	L681-T685 HydrophobicContact CD1-CG2 4.35Å; P682-T685 WeakPolarHBondContact O-CB 3.34Å; P682-T685 PolarHBondContact O-N 2.92Å; P682-T685 PolarHBondContact O-OG1 3.34Å; L683-T685 PolarHBondContact O-N 3.19Å; T685-L687 VanDerWaalsContact C-N 3.28Å; T685-L687 PolarHBondContact O-N 2.91Å; T685-L688 WeakPolarHBondContact O-CB 3.48Å; T685-L688 PolarHBondContact O-N 2.91Å; T685-Q743 PolarHBondContact OG1-OE1 2.95Å
686	F	96.9	Very high	95.1	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-66.3	-30	176.2	-65.4	-81	0	0	0	112.3	D562 V565 I566 Y680 L681 L683 L688 K689	D562-F686 HydrophobicContact CB-CD1 3.86Å; D562-F686 HydrophobicContact CB-CE1 4.13Å; D562-F686 WeakPolarHBondContact O-CD1 3.23Å; V565-F686 HydrophobicContact CB-CD1 4.2Å; V565-F686 HydrophobicContact CB-CE1 4.17Å; V565-F686 HydrophobicContact CB-CG 4.43Å; V565-F686 HydrophobicContact CB-CZ 4.36Å; V565-F686 HydrophobicContact CG1-CD2 4.14Å; V565-F686 HydrophobicContact CG1-CE1 4.39Å; V565-F686 HydrophobicContact CG1-CE2 3.95Å; V565-F686 HydrophobicContact CG1-CG 4.43Å; V565-F686 HydrophobicContact CG1-CZ 4.09Å; V565-F686 HydrophobicContact CG2-CD1 4.14Å; V565-F686 HydrophobicContact CG2-CE1 3.68Å; V565-F686 HydrophobicContact CG2-CZ 3.94Å; I566-F686 HydrophobicContact CD1-CB 3.73Å; I566-F686 HydrophobicContact CG1-CB 3.98Å; Y680-F686 HydrophobicContact CD1-CE1 4.31Å; Y680-F686 AromaticContact CD1-CZ 3.9Å; Y680-F686 HydrophobicContact CD1-CZ 3.9Å; Y680-F686 AromaticContact CE1-CE1 3.8Å; Y680-F686 HydrophobicContact CE1-CE1 3.8Å; Y680-F686 AromaticContact CE1-CZ 3.85Å; Y680-F686 HydrophobicContact CE1-CZ 3.85Å; L681-F686 HydrophobicContact CB-CE2 3.8Å; L681-F686 HydrophobicContact CB-CZ 3.88Å; L681-F686 HydrophobicContact CD1-CE1 4.49Å; L681-F686 HydrophobicContact CD1-CZ 4.4Å; L681-F686 HydrophobicContact CG-CZ 4.33Å; L681-F686 WeakPolarHBondContact O-CE2 3.43Å; L683-F686 HydrophobicContact CD1-CD2 4.48Å; L683-F686 PolarHBondContact O-N 2.82Å; L683-F686 VanDerWaalsContact O-N 3.15Å; F686-L688 PolarHBondContact O-N 3.22Å; F686-K689 WeakPolarHBondContact O-CB 3.5Å; F686-K689 PolarHBondContact O-N 2.71Å
687	L	96.3	Very high	95.3	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.026	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19	175.2	-70.1	169.3	0	0	0	113.5	I566 L588 I592 H649 V652 L653 L656 N684 T685	I566-L687 HydrophobicContact CD1-CD2 3.75Å; I566-L687 HydrophobicContact CD1-CG 4.07Å; L588-L687 HydrophobicContact CD1-CD2 3.84Å; I592-L687 HydrophobicContact CD1-CD2 3.6Å; H649-L687 PolarHBondContact ND1-O 2.87Å; V652-L687 HydrophobicContact CG1-CD2 3.97Å; L653-L687 HydrophobicContact CB-CD1 4.49Å; L653-L687 HydrophobicContact CD1-CD1 3.73Å; L656-L687 HydrophobicContact CD2-CD1 3.79Å; N684-L687 PolarHBondContact O-N 2.96Å; T685-L687 VanDerWaalsContact C-N 3.28Å; T685-L687 PolarHBondContact O-N 2.91Å
688	L	96.6	Very high	95.6	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.021	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-26.4	175	-54.7	173.9	0	0	0	112.6	T685 F686 I691 Q692 L739 E740 Q743	T685-L688 WeakPolarHBondContact O-CB 3.48Å; T685-L688 PolarHBondContact O-N 2.91Å; F686-L688 PolarHBondContact O-N 3.22Å; L688-I691 PolarHBondContact O-N 3.17Å; L688-Q692 HydrophobicContact CB-CG 4.37Å; L688-Q692 WeakPolarHBondContact O-CG 3.41Å; L688-Q692 PolarHBondContact O-N 3.35Å; L688-Q692 VanDerWaalsContact O-N 3.13Å; L688-L739 HydrophobicContact CD2-CB 3.7Å; L688-E740 HydrophobicContact CD1-CG 4.21Å; L688-E740 HydrophobicContact CD2-CG 4.47Å; L688-Q743 HydrophobicContact CD1-CB 3.95Å; L688-Q743 HydrophobicContact CD1-CG 3.93Å; L688-Q743 HydrophobicContact CD2-CB 4.49Å
689	K	97.5	Very high	95.7	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.026	7%	0.068	C	C	.	.	H	α-helix	trans	-54.4	-40.1	-167.8	-69.5	-78.8	-175.9	146.9	0	114.4	Y559 D562 F686 I691 Q692 R693	Y559-K689 HydrophobicContact CD2-CB 4.19Å; Y559-K689 HydrophobicContact CE2-CB 3.92Å; D562-K689 HydrophobicContact CB-CD 4.49Å; D562-K689 HydrophobicContact CB-CG 4.29Å; D562-K689 WeakPolarHBondContact OD2-CD 3.39Å; D562-K689 VanDerWaalsContact OD2-CE 3.23Å; D562-K689 WeakPolarHBondContact OD2-CE 3.43Å; D562-K689 IonicContact OD2-NZ 3.46Å; D562-K689 PolarHBondContact OD2-NZ 3.12Å; F686-K689 WeakPolarHBondContact O-CB 3.5Å; F686-K689 PolarHBondContact O-N 2.71Å; K689-I691 PolarHBondContact O-N 3.44Å; K689-Q692 PolarHBondContact O-N 2.93Å; K689-R693 WeakPolarHBondContact O-CB 3.37Å; K689-R693 PolarHBondContact O-N 3.12Å
690	P	97.6	Very high	95.8	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.019	7%	0.066	C	C	.	.	H	α-helix	trans	-62.5	-42	-179.9	-28	39.4	0	0	0	114.3	Y559 L563 I595 L646 R693	Y559-P690 WeakPolarHBondContact OH-CA 3.36Å; Y559-P690 WeakPolarHBondContact OH-CB 3.44Å; L563-P690 HydrophobicContact CD2-CG 4.01Å; I595-P690 HydrophobicContact CD1-CB 4.44Å; I595-P690 HydrophobicContact CG2-CB 4.4Å; L646-P690 HydrophobicContact CD2-CB 3.52Å; P690-R693 PolarHBondContact O-N 2.96Å
691	I	96.8	Very high	96	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-73.4	-38.1	178.4	-53.2	175.1	0	0	0	110	L646 H649 L688 K689 R693 L694 M695 L732 L736 L739	L646-I691 HydrophobicContact CB-CG1 4.44Å; L646-I691 HydrophobicContact CD2-CG1 4.08Å; H649-I691 HydrophobicContact CB-CD1 4.18Å; L688-I691 PolarHBondContact O-N 3.17Å; K689-I691 PolarHBondContact O-N 3.44Å; I691-R693 VanDerWaalsContact C-N 3.29Å; I691-R693 PolarHBondContact O-N 3.5Å; I691-L694 WeakPolarHBondContact O-CB 3.33Å; I691-L694 PolarHBondContact O-N 3.23Å; I691-M695 HydrophobicContact CG2-CE 4.04Å; I691-L732 HydrophobicContact CG2-CB 4.01Å; I691-L732 HydrophobicContact CG2-CD1 4.32Å; I691-L736 HydrophobicContact CB-CD1 4.19Å; I691-L736 HydrophobicContact CG2-CB 3.93Å; I691-L736 HydrophobicContact CG2-CD1 4.03Å; I691-L736 HydrophobicContact CG2-CD2 4.31Å; I691-L736 HydrophobicContact CG2-CG 4.31Å; I691-L739 HydrophobicContact CD1-CD1 3.6Å
692	Q	96.9	Very high	96.2	Very high	11 Å²	11	13.8 Å²	13.8	5%	0.051	7%	0.068	C	C	.	.	H	α-helix	trans	-62.2	-33.4	173	-67	179.2	-14.1	0	0	112.7	L688 K689 L694 M695 H696 L736 E740 V944	L688-Q692 HydrophobicContact CB-CG 4.37Å; L688-Q692 WeakPolarHBondContact O-CG 3.41Å; L688-Q692 PolarHBondContact O-N 3.35Å; L688-Q692 VanDerWaalsContact O-N 3.13Å; K689-Q692 PolarHBondContact O-N 2.93Å; Q692-L694 VanDerWaalsContact C-N 3.34Å; Q692-L694 PolarHBondContact O-N 3.44Å; Q692-M695 WeakPolarHBondContact O-CB 3.47Å; Q692-M695 PolarHBondContact O-N 3Å; Q692-H696 PolarHBondContact O-N 3.26Å; Q692-H696 VanDerWaalsContact O-N 3.09Å; Q692-L736 HydrophobicContact CG-CD1 3.94Å; Q692-E740 PolarHBondContact NE2-OE1 2.93Å; Q692-V944 HydrophobicContact CB-CG1 4.04Å; Q692-V944 VanDerWaalsContact CD-CG1 3.42Å; Q692-V944 HydrophobicContact CG-CG1 3.62Å
693	R	97.7	Very high	96.4	Very high	12 Å²	12	15 Å²	15	5%	0.045	7%	0.07	C	C	.	.	H	α-helix	trans	-63.9	-37.4	178.8	-171.6	63.4	-179.1	152.1	0.5	112.2	I552 T555 E556 Y559 K689 P690 I691 H696 Y697	I552-R693 PolarHBondContact O-NH2 2.75Å; I552-R693 VanDerWaalsContact O-NH2 3.16Å; T555-R693 VanDerWaalsContact CB-NH1 3.29Å; T555-R693 PolarHBondContact OG1-NH1 3.33Å; T555-R693 PolarHBondContact OG1-NH2 3.09Å; T555-R693 VanDerWaalsContact OG1-NH2 3.16Å; E556-R693 VanDerWaalsContact CA-NH2 3.35Å; E556-R693 VanDerWaalsContact N-NH2 3.17Å; E556-R693 IonicContact OE2-CZ 3.17Å; E556-R693 IonicContact OE2-NE 2.67Å; E556-R693 PolarHBondContact OE2-NE 2.88Å; E556-R693 IonicContact OE2-NH2 2.79Å; E556-R693 PolarHBondContact OE2-NH2 3.26Å; Y559-R693 HydrophobicContact CD1-CG 3.85Å; Y559-R693 HydrophobicContact CD2-CB 4.03Å; Y559-R693 HydrophobicContact CD2-CG 4.11Å; Y559-R693 HydrophobicContact CE1-CB 4.36Å; Y559-R693 HydrophobicContact CE1-CG 3.94Å; Y559-R693 HydrophobicContact CE2-CB 3.82Å; Y559-R693 HydrophobicContact CE2-CG 4.18Å; Y559-R693 HydrophobicContact CG-CB 4.39Å; Y559-R693 HydrophobicContact CG-CG 3.94Å; K689-R693 WeakPolarHBondContact O-CB 3.37Å; K689-R693 PolarHBondContact O-N 3.12Å; P690-R693 PolarHBondContact O-N 2.96Å; I691-R693 VanDerWaalsContact C-N 3.29Å; I691-R693 PolarHBondContact O-N 3.5Å; R693-H696 PolarHBondContact NH1-CD2 2.92Å; R693-H696 VanDerWaalsContact NH1-CD2 3.26Å; R693-H696 WeakPolarHBondContact O-CB 3.38Å; R693-H696 PolarHBondContact O-N 3.44Å; R693-Y697 HydrophobicContact CG-CE1 4.23Å; R693-Y697 HydrophobicContact CG-CE2 3.92Å; R693-Y697 PolarHBondContact O-N 2.98Å
694	L	95.4	Very high	96.4	Very high	2 Å²	2	15 Å²	15	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-60.4	-44.9	173.4	-62.6	178.1	0	0	0	112.3	L639 L646 I691 Q692 H696 Y697 K698 V725 I728 L732	L639-L694 HydrophobicContact CD2-CD2 3.36Å; L639-L694 HydrophobicContact CG-CD2 3.88Å; L646-L694 HydrophobicContact CD1-CD1 3.69Å; I691-L694 WeakPolarHBondContact O-CB 3.33Å; I691-L694 PolarHBondContact O-N 3.23Å; Q692-L694 VanDerWaalsContact C-N 3.34Å; Q692-L694 PolarHBondContact O-N 3.44Å; L694-H696 PolarHBondContact O-N 3.38Å; L694-Y697 HydrophobicContact CD2-CD2 4.4Å; L694-Y697 PolarHBondContact O-N 2.9Å; L694-K698 PolarHBondContact O-N 3.44Å; L694-V725 HydrophobicContact CB-CG2 4.3Å; L694-V725 HydrophobicContact CD2-CG2 4.18Å; L694-I728 HydrophobicContact CD1-CB 4.48Å; L694-I728 HydrophobicContact CD1-CG2 3.62Å; L694-L732 HydrophobicContact CD1-CD1 3.62Å
695	M	94.6	Very high	96.5	Very high	22 Å²	22	15.8 Å²	15.8	11%	0.108	8%	0.076	C	C	.	.	H	α-helix	trans	-60.4	-40	176.7	-51.7	-54.3	155.3	0	0	110.6	I691 Q692 K698 L699 A729 L736	I691-M695 HydrophobicContact CG2-CE 4.04Å; Q692-M695 WeakPolarHBondContact O-CB 3.47Å; Q692-M695 PolarHBondContact O-N 3Å; M695-K698 WeakPolarHBondContact O-CB 3.24Å; M695-K698 PolarHBondContact O-N 2.69Å; M695-L699 WeakPolarHBondContact O-CG 3.42Å; M695-L699 PolarHBondContact O-N 3.22Å; M695-A729 HydrophobicContact CE-CB 3.9Å; M695-A729 HydrophobicContact SD-CB 3.68Å; M695-L736 HydrophobicContact CE-CD2 3.98Å; M695-L736 HydrophobicContact CG-CD2 3.82Å; M695-L736 HydrophobicContact SD-CD2 4.48Å
696	H	96.8	Very high	96.5	Very high	11 Å²	11	22.6 Å²	22.6	5%	0.051	10%	0.104	C	C	.	.	H	α-helix	trans	-68.2	-37.9	177.5	-159.2	81.5	0	0	0	113	Q692 R693 L694 L699 I700 E945 Q947	Q692-H696 PolarHBondContact O-N 3.26Å; Q692-H696 VanDerWaalsContact O-N 3.09Å; R693-H696 PolarHBondContact NH1-CD2 2.92Å; R693-H696 VanDerWaalsContact NH1-CD2 3.26Å; R693-H696 WeakPolarHBondContact O-CB 3.38Å; R693-H696 PolarHBondContact O-N 3.44Å; L694-H696 PolarHBondContact O-N 3.38Å; H696-L699 PolarHBondContact O-N 2.67Å; H696-I700 WeakPolarHBondContact NE2-CD1 3.36Å; H696-I700 WeakPolarHBondContact O-CG1 3.44Å; H696-I700 PolarHBondContact O-N 2.85Å; H696-E945 PolarHBondContact ND1-O 3.41Å; H696-Q947 PolarHBondContact CE1-O 3.34Å
697	Y	97.9	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61	-46	171.4	-67.6	-35.5	0	0	0	112.2	I552 E556 H599 F602 M632 M636 L639 R693 L694 L699 I700 L701	I552-Y697 HydrophobicContact CG2-CE1 4.37Å; E556-Y697 PolarHBondContact OE1-OH 3.08Å; E556-Y697 PolarHBondContact OE2-OH 3.15Å; H599-Y697 AromaticContact CE1-CE2 3.93Å; H599-Y697 AromaticContact CE1-CZ 3.92Å; H599-Y697 PolarHBondContact CE1-OH 2.86Å; H599-Y697 PolarHBondContact ND1-OH 3.3Å; F602-Y697 WeakPolarHBondContact CD1-OH 3.32Å; F602-Y697 AromaticContact CE1-CE1 3.92Å; F602-Y697 HydrophobicContact CE1-CE1 3.92Å; F602-Y697 AromaticContact CE1-CZ 3.73Å; F602-Y697 WeakPolarHBondContact CE1-OH 3.48Å; M632-Y697 HydrophobicContact CE-CD1 4.23Å; M636-Y697 HydrophobicContact CE-CD2 3.74Å; M636-Y697 HydrophobicContact CE-CE2 3.78Å; M636-Y697 HydrophobicContact CE-CG 4.28Å; M636-Y697 HydrophobicContact SD-CD2 3.71Å; M636-Y697 HydrophobicContact SD-CE2 4.35Å; M636-Y697 HydrophobicContact SD-CG 4.12Å; L639-Y697 HydrophobicContact CD2-CD2 4.27Å; L639-Y697 HydrophobicContact CD2-CE2 3.94Å; R693-Y697 HydrophobicContact CG-CE1 4.23Å; R693-Y697 HydrophobicContact CG-CE2 3.92Å; R693-Y697 PolarHBondContact O-N 2.98Å; L694-Y697 HydrophobicContact CD2-CD2 4.4Å; L694-Y697 PolarHBondContact O-N 2.9Å; Y697-L699 VanDerWaalsContact C-N 3.34Å; Y697-L699 PolarHBondContact O-N 2.81Å; Y697-I700 PolarHBondContact O-N 2.97Å; Y697-L701 WeakPolarHBondContact O-CB 3.43Å; Y697-L701 WeakPolarHBondContact O-CG 3.39Å; Y697-L701 PolarHBondContact O-N 2.85Å
698	K	97.2	Very high	96.1	Very high	65 Å²	65	26 Å²	26	28%	0.283	12%	0.119	S	C	.	.	H	α-helix	trans	-54.4	-50.8	174.3	179.9	-170.3	168.4	-172	0	110.7	L694 M695 I700 L701 E702 L722 V725 A726 A729	L694-K698 PolarHBondContact O-N 3.44Å; M695-K698 WeakPolarHBondContact O-CB 3.24Å; M695-K698 PolarHBondContact O-N 2.69Å; K698-I700 PolarHBondContact O-N 2.92Å; K698-L701 PolarHBondContact O-N 3.08Å; K698-E702 VanDerWaalsContact CE-OE1 3.24Å; K698-E702 WeakPolarHBondContact CE-OE1 3.42Å; K698-E702 WeakPolarHBondContact O-CB 3.43Å; K698-E702 WeakPolarHBondContact O-CG 3.37Å; K698-E702 PolarHBondContact O-N 3.47Å; K698-L722 HydrophobicContact CG-CD1 3.85Å; K698-V725 HydrophobicContact CB-CG1 4.02Å; K698-A726 HydrophobicContact CD-CB 4.49Å; K698-A729 HydrophobicContact CD-CB 4.46Å
699	L	96.5	Very high	95.8	Very high	58 Å²	58	29 Å²	29	30%	0.304	14%	0.141	S	C	.	.	H	α-helix	trans	-61.8	-38.8	-179.6	-70.4	170	0	0	0	113.3	M695 H696 Y697 R703 E945	M695-L699 WeakPolarHBondContact O-CG 3.42Å; M695-L699 PolarHBondContact O-N 3.22Å; H696-L699 PolarHBondContact O-N 2.67Å; Y697-L699 VanDerWaalsContact C-N 3.34Å; Y697-L699 PolarHBondContact O-N 2.81Å; L699-R703 PolarHBondContact O-N 3.13Å; L699-E945 HydrophobicContact CD1-CB 3.86Å; L699-E945 HydrophobicContact CD1-CG 4.07Å
700	I	96.9	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72.2	-42.4	175.5	-62.5	174.7	0	0	0	111.4	I548 E551 I552 H696 Y697 K698 R703 L704	I548-I700 HydrophobicContact CG2-CG2 3.49Å; I548-I700 VanDerWaalsContact CG2-CG2 3.49Å; E551-I700 HydrophobicContact CG-CD1 4.34Å; I552-I700 HydrophobicContact CD1-CG2 3.89Å; I552-I700 HydrophobicContact CG1-CB 4.35Å; I552-I700 HydrophobicContact CG1-CD1 3.85Å; I552-I700 HydrophobicContact CG1-CG2 3.58Å; H696-I700 WeakPolarHBondContact NE2-CD1 3.36Å; H696-I700 WeakPolarHBondContact O-CG1 3.44Å; H696-I700 PolarHBondContact O-N 2.85Å; Y697-I700 PolarHBondContact O-N 2.97Å; K698-I700 PolarHBondContact O-N 2.92Å; I700-R703 CarbonylContact O-C 3.56Å; I700-R703 WeakPolarHBondContact O-CA 3.45Å; I700-R703 WeakPolarHBondContact O-CB 3.49Å; I700-R703 PolarHBondContact O-N 3.21Å; I700-L704 HydrophobicContact CG2-CD1 4.49Å; I700-L704 PolarHBondContact O-N 3.35Å
701	L	97.4	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-40.1	178.9	-78.2	164.7	0	0	0	111.8	M632 M636 Y697 K698 R703 L704 C705 C718 A721 L722 V725	M632-L701 HydrophobicContact CB-CD2 3.99Å; M632-L701 HydrophobicContact CE-CD1 3.85Å; M632-L701 HydrophobicContact CE-CD2 4.21Å; M632-L701 HydrophobicContact CE-CG 4.04Å; M632-L701 HydrophobicContact CG-CD2 4.05Å; M636-L701 HydrophobicContact CG-CD1 4.23Å; Y697-L701 WeakPolarHBondContact O-CB 3.43Å; Y697-L701 WeakPolarHBondContact O-CG 3.39Å; Y697-L701 PolarHBondContact O-N 2.85Å; K698-L701 PolarHBondContact O-N 3.08Å; L701-R703 PolarHBondContact O-N 3.22Å; L701-L704 HydrophobicContact CD2-CD1 4.29Å; L701-L704 PolarHBondContact O-N 3.42Å; L701-C705 PolarHBondContact O-N 3.5Å; L701-C705 PolarHBondContact O-SG 3.39Å; L701-C718 HydrophobicContact CD2-CB 4.34Å; L701-A721 HydrophobicContact CD1-CB 4.07Å; L701-A721 HydrophobicContact CD2-CB 4.02Å; L701-L722 HydrophobicContact CB-CB 4.03Å; L701-L722 HydrophobicContact CB-CD1 4.04Å; L701-V725 HydrophobicContact CD1-CG1 3.91Å
702	E	96.9	Very high	94.7	Very high	50 Å²	50	41.5 Å²	41.5	23%	0.234	22%	0.224	C	C	.	.	H	α-helix	trans	-54.1	-40.1	168.4	-80.6	-170.2	-145.8	0	0	112.1	K698 K706 L722	K698-E702 VanDerWaalsContact CE-OE1 3.24Å; K698-E702 WeakPolarHBondContact CE-OE1 3.42Å; K698-E702 WeakPolarHBondContact O-CB 3.43Å; K698-E702 WeakPolarHBondContact O-CG 3.37Å; K698-E702 PolarHBondContact O-N 3.47Å; E702-K706 WeakPolarHBondContact O-CB 3.35Å; E702-K706 VanDerWaalsContact O-CD 3.25Å; E702-K706 WeakPolarHBondContact O-CD 3.36Å; E702-K706 WeakPolarHBondContact O-CG 3.42Å; E702-K706 PolarHBondContact O-N 3.24Å; E702-K706 IonicContact OE2-NZ 3.62Å; E702-K706 PolarHBondContact OE2-NZ 2.84Å; E702-L722 HydrophobicContact CG-CD1 3.7Å; E702-L722 HydrophobicContact CG-CD2 3.91Å; E702-L722 HydrophobicContact CG-CG 4.47Å
703	R	95.9	Very high	94.3	Very high	47 Å²	47	47.8 Å²	47.8	18%	0.177	25%	0.247	C	C	.	.	H	α-helix	trans	-75.3	-29.7	-179.6	-168.2	167.3	62.7	-131.1	2	113.1	I548 E551 L699 I700 L701 H707 Y1028 R1032	I548-R703 HydrophobicContact CD1-CG 4.31Å; E551-R703 IonicContact OE1-CZ 2.72Å; E551-R703 IonicContact OE1-NH1 2.77Å; E551-R703 IonicContact OE1-NH2 2.83Å; E551-R703 PolarHBondContact OE1-NH2 2.94Å; E551-R703 IonicContact OE2-CZ 3.76Å; E551-R703 IonicContact OE2-NH2 3.66Å; E551-R703 PolarHBondContact OE2-NH2 2.94Å; L699-R703 PolarHBondContact O-N 3.13Å; I700-R703 CarbonylContact O-C 3.56Å; I700-R703 WeakPolarHBondContact O-CA 3.45Å; I700-R703 WeakPolarHBondContact O-CB 3.49Å; I700-R703 PolarHBondContact O-N 3.21Å; L701-R703 PolarHBondContact O-N 3.22Å; R703-H707 WeakPolarHBondContact O-CB 3.46Å; R703-H707 PolarHBondContact O-N 3.03Å; R703-Y1028 VanDerWaalsContact CZ-OH 3.26Å; R703-Y1028 PolarHBondContact NE-OH 3.19Å; R703-Y1028 PolarHBondContact NH2-OH 2.92Å; R703-Y1028 VanDerWaalsContact NH2-OH 3.14Å; R703-R1032 VanDerWaalsContact NH1-CZ 3.29Å
704	L	94.9	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-48.1	168.5	-74	170.6	0	0	0	111.1	I548 I552 I628 I700 L701 K706 H707 Y708	I548-L704 HydrophobicContact CB-CD2 3.8Å; I548-L704 HydrophobicContact CB-CG 4.43Å; I548-L704 HydrophobicContact CD1-CD2 4.21Å; I548-L704 HydrophobicContact CG2-CD1 4.4Å; I548-L704 HydrophobicContact CG2-CD2 3.57Å; I548-L704 HydrophobicContact CG2-CG 3.65Å; I552-L704 HydrophobicContact CD1-CD1 4.28Å; I628-L704 HydrophobicContact CG2-CD1 3.73Å; I700-L704 HydrophobicContact CG2-CD1 4.49Å; I700-L704 PolarHBondContact O-N 3.35Å; L701-L704 HydrophobicContact CD2-CD1 4.29Å; L701-L704 PolarHBondContact O-N 3.42Å; L704-K706 VanDerWaalsContact C-N 3.26Å; L704-K706 PolarHBondContact O-N 3.42Å; L704-H707 PolarHBondContact O-N 2.82Å; L704-Y708 HydrophobicContact CB-CE2 4.42Å; L704-Y708 HydrophobicContact CD2-CE2 4.34Å; L704-Y708 PolarHBondContact O-N 2.99Å
705	C	95.5	Very high	93.9	Very high	22 Å²	22	49.6 Å²	49.6	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-29	177.1	-64.2	0	0	0	0	113.2	L701 L722	L701-C705 PolarHBondContact O-N 3.5Å; L701-C705 PolarHBondContact O-SG 3.39Å; C705-L722 HydrophobicContact CB-CD2 4.48Å
706	K	95.1	Very high	94	Very high	155 Å²	155	52.7 Å²	52.7	67%	0.674	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.4	172.5	-71.1	161.4	-164.3	167.6	0	113.6	E702 L704	E702-K706 WeakPolarHBondContact O-CB 3.35Å; E702-K706 VanDerWaalsContact O-CD 3.25Å; E702-K706 WeakPolarHBondContact O-CD 3.36Å; E702-K706 WeakPolarHBondContact O-CG 3.42Å; E702-K706 PolarHBondContact O-N 3.24Å; E702-K706 IonicContact OE2-NZ 3.62Å; E702-K706 PolarHBondContact OE2-NZ 2.84Å; L704-K706 VanDerWaalsContact C-N 3.26Å; L704-K706 PolarHBondContact O-N 3.42Å
707	H	92.5	Very high	94	Very high	61 Å²	61	54 Å²	54	28%	0.282	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-42.2	178.6	174.2	77	0	0	0	112.4	D543 I548 R703 L704	D543-H707 IonicContact OD1-CE1 2.99Å; D543-H707 PolarHBondContact OD1-CE1 2.67Å; D543-H707 IonicContact OD1-NE2 3.91Å; D543-H707 PolarHBondContact OD1-NE2 2.91Å; D543-H707 IonicContact OD2-CD2 3.88Å; D543-H707 IonicContact OD2-CE1 3.27Å; D543-H707 IonicContact OD2-NE2 2.66Å; D543-H707 PolarHBondContact OD2-NE2 2.94Å; I548-H707 HydrophobicContact CD1-CB 4.31Å; R703-H707 WeakPolarHBondContact O-CB 3.46Å; R703-H707 PolarHBondContact O-N 3.03Å; L704-H707 PolarHBondContact O-N 2.82Å
708	Y	92.6	Very high	93.9	Very high	16 Å²	16	54 Å²	54	6%	0.063	28%	0.276	C	S	.	.	S	Bend	trans	-73.8	138.8	177.8	-68.1	-38.9	0	0	0	112.2	A545 L704 H712 D714 Y715	A545-Y708 HydrophobicContact CB-CE1 3.55Å; L704-Y708 HydrophobicContact CB-CE2 4.42Å; L704-Y708 HydrophobicContact CD2-CE2 4.34Å; L704-Y708 PolarHBondContact O-N 2.99Å; Y708-H712 HydrophobicContact CD1-CB 4.43Å; Y708-H712 AromaticContact CD1-CE1 3.54Å; Y708-H712 AromaticContact CD1-CG 3.77Å; Y708-H712 AromaticContact CD1-ND1 3.19Å; Y708-H712 WeakPolarHBondContact CD1-ND1 3.08Å; Y708-H712 AromaticContact CD2-ND1 3.94Å; Y708-H712 AromaticContact CE1-CE1 3.19Å; Y708-H712 WeakPolarHBondContact CE1-CE1 3.24Å; Y708-H712 AromaticContact CE1-ND1 3.34Å; Y708-H712 VanDerWaalsContact CE1-ND1 3.34Å; Y708-H712 WeakPolarHBondContact CE1-ND1 3.21Å; Y708-H712 HydrophobicContact CG-CB 4.44Å; Y708-H712 AromaticContact CG-ND1 3.5Å; Y708-H712 AromaticContact CZ-CE1 3.59Å; Y708-H712 AromaticContact CZ-ND1 3.75Å; Y708-D714 HydrophobicContact CD2-CB 4.22Å; Y708-D714 HydrophobicContact CE2-CB 3.57Å; Y708-D714 VanDerWaalsContact CE2-OD2 3.31Å; Y708-D714 WeakPolarHBondContact CE2-OD2 3.34Å; Y708-D714 PolarHBondContact OH-OD2 2.66Å; Y708-Y715 WeakPolarHBondContact O-CD2 3.35Å
709	S	89.7	Confident	94	Very high	68 Å²	68	54.7 Å²	54.7	48%	0.476	28%	0.279	S	S	.	.			trans	-76.4	156.2	168.6	68	0	0	0	0	110.9	A711 H712 Y715	S709-A711 PolarHBondContact O-N 3.38Å; S709-H712 VanDerWaalsContact O-CB 3.26Å; S709-H712 WeakPolarHBondContact O-CB 3.43Å; S709-H712 PolarHBondContact O-N 3.43Å; S709-Y715 WeakPolarHBondContact O-CB 3.36Å
710	P	90.1	Very high	94	Very high	99 Å²	99	55 Å²	55	64%	0.643	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.4	177.6	-26.2	35.9	0	0	0	115.5	Y715	P710-Y715 HydrophobicContact CB-CD1 4.4Å; P710-Y715 HydrophobicContact CB-CE1 4.13Å; P710-Y715 HydrophobicContact CG-CE1 4.43Å; P710-Y715 HydrophobicContact CG-CE2 4.48Å
711	A	88.5	Confident	94.1	Very high	98 Å²	98	55 Å²	55	81%	0.81	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.3	174	0	0	0	0	0	113.3	S709	S709-A711 PolarHBondContact O-N 3.38Å
712	H	89.6	Confident	94.1	Very high	75 Å²	75	56.5 Å²	56.5	35%	0.347	29%	0.287	S	S	.	.	S	Bend	trans	-79	131.1	178.3	-170.9	-104.9	0	0	0	110.8	Y708 S709 D714 Y715	Y708-H712 HydrophobicContact CD1-CB 4.43Å; Y708-H712 AromaticContact CD1-CE1 3.54Å; Y708-H712 AromaticContact CD1-CG 3.77Å; Y708-H712 AromaticContact CD1-ND1 3.19Å; Y708-H712 WeakPolarHBondContact CD1-ND1 3.08Å; Y708-H712 AromaticContact CD2-ND1 3.94Å; Y708-H712 AromaticContact CE1-CE1 3.19Å; Y708-H712 WeakPolarHBondContact CE1-CE1 3.24Å; Y708-H712 AromaticContact CE1-ND1 3.34Å; Y708-H712 VanDerWaalsContact CE1-ND1 3.34Å; Y708-H712 WeakPolarHBondContact CE1-ND1 3.21Å; Y708-H712 HydrophobicContact CG-CB 4.44Å; Y708-H712 AromaticContact CG-ND1 3.5Å; Y708-H712 AromaticContact CZ-CE1 3.59Å; Y708-H712 AromaticContact CZ-ND1 3.75Å; S709-H712 VanDerWaalsContact O-CB 3.26Å; S709-H712 WeakPolarHBondContact O-CB 3.43Å; S709-H712 PolarHBondContact O-N 3.43Å; H712-D714 VanDerWaalsContact CE1-CB 3.47Å; H712-D714 WeakPolarHBondContact CE1-CB 3.39Å; H712-D714 WeakPolarHBondContact ND1-CB 3.48Å; H712-D714 PolarHBondContact ND1-N 3.37Å; H712-D714 PolarHBondContact O-N 3.45Å; H712-D714 VanDerWaalsContact O-N 3.1Å; H712-Y715 WeakPolarHBondContact O-CB 3.29Å; H712-Y715 PolarHBondContact O-N 3.15Å
713	R	87.8	Confident	94.1	Very high	143 Å²	143	59.4 Å²	59.4	54%	0.54	30%	0.299	S	S	.	.	H	α-helix	trans	-53.8	-35.8	-176.6	175.7	176.2	171.4	177.6	-4.2	114.1	D624 Y715	D624-R713 IonicContact OD1-NH1 3.82Å; D624-R713 IonicContact OD2-CZ 3.61Å; D624-R713 IonicContact OD2-NH1 2.69Å; D624-R713 PolarHBondContact OD2-NH1 2.93Å; D624-R713 IonicContact OD2-NH2 3.69Å; R713-Y715 VanDerWaalsContact C-N 3.3Å
714	D	92.2	Very high	94.2	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-83	-5.8	-177.3	-147.5	46	0	0	0	112.9	R627 I628 G629 Y708 H712 C718	R627-D714 HydrophobicContact CB-CB 4.16Å; R627-D714 WeakPolarHBondContact CB-OD1 3.36Å; I628-D714 PolarHBondContact N-OD1 3.09Å; I628-D714 PolarHBondContact N-OD2 3.42Å; G629-D714 VanDerWaalsContact CA-OD1 3.31Å; G629-D714 WeakPolarHBondContact CA-OD1 3.39Å; G629-D714 PolarHBondContact N-OD1 2.78Å; G629-D714 PolarHBondContact N-OD2 3.04Å; Y708-D714 HydrophobicContact CD2-CB 4.22Å; Y708-D714 HydrophobicContact CE2-CB 3.57Å; Y708-D714 VanDerWaalsContact CE2-OD2 3.31Å; Y708-D714 WeakPolarHBondContact CE2-OD2 3.34Å; Y708-D714 PolarHBondContact OH-OD2 2.66Å; H712-D714 VanDerWaalsContact CE1-CB 3.47Å; H712-D714 WeakPolarHBondContact CE1-CB 3.39Å; H712-D714 WeakPolarHBondContact ND1-CB 3.48Å; H712-D714 PolarHBondContact ND1-N 3.37Å; H712-D714 PolarHBondContact O-N 3.45Å; H712-D714 VanDerWaalsContact O-N 3.1Å; D714-C718 VanDerWaalsContact O-CB 3.27Å; D714-C718 WeakPolarHBondContact O-CB 3.3Å; D714-C718 PolarHBondContact O-N 3.38Å; D714-C718 PolarHBondContact O-SG 2.88Å; D714-C718 VanDerWaalsContact O-SG 3.4Å
715	Y	94.3	Very high	94.3	Very high	51 Å²	51	58.6 Å²	58.6	20%	0.2	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-51.5	-178.3	177.3	-95.6	0	0	0	112.1	Y708 S709 P710 H712 R713 C718 K719	Y708-Y715 WeakPolarHBondContact O-CD2 3.35Å; S709-Y715 WeakPolarHBondContact O-CB 3.36Å; P710-Y715 HydrophobicContact CB-CD1 4.4Å; P710-Y715 HydrophobicContact CB-CE1 4.13Å; P710-Y715 HydrophobicContact CG-CE1 4.43Å; P710-Y715 HydrophobicContact CG-CE2 4.48Å; H712-Y715 WeakPolarHBondContact O-CB 3.29Å; H712-Y715 PolarHBondContact O-N 3.15Å; R713-Y715 VanDerWaalsContact C-N 3.3Å; Y715-C718 PolarHBondContact O-N 3.09Å; Y715-K719 HydrophobicContact CD1-CD 4.4Å; Y715-K719 HydrophobicContact CE1-CD 3.77Å; Y715-K719 WeakPolarHBondContact O-CB 3.47Å; Y715-K719 PolarHBondContact O-N 2.82Å
716	E	95.9	Very high	94.3	Very high	87 Å²	87	58.6 Å²	58.6	41%	0.407	30%	0.299	S	S	.	.	H	α-helix	trans	-68.2	-39.8	-179.8	-70.4	-63.5	139.4	0	0	111.6	C718 K719 E720	E716-C718 PolarHBondContact O-N 2.89Å; E716-K719 PolarHBondContact O-N 2.9Å; E716-K719 IonicContact OE1-NZ 2.75Å; E716-K719 PolarHBondContact OE1-NZ 2.9Å; E716-K719 IonicContact OE2-NZ 2.62Å; E716-K719 PolarHBondContact OE2-NZ 2.7Å; E716-E720 PolarHBondContact O-N 2.99Å
717	D	96.6	Very high	94.4	Very high	38 Å²	38	56.5 Å²	56.5	20%	0.203	29%	0.291	C	S	.	.	H	α-helix	trans	-58.9	-46.7	173.2	-72.7	-14.4	0	0	0	111.1	R627 A721	R627-D717 IonicContact CZ-OD2 2.65Å; R627-D717 IonicContact NH1-OD2 2.75Å; R627-D717 PolarHBondContact NH1-OD2 2.84Å; R627-D717 IonicContact NH2-OD2 3.7Å; D717-A721 VanDerWaalsContact O-CB 3.28Å; D717-A721 WeakPolarHBondContact O-CB 3.43Å; D717-A721 PolarHBondContact O-N 3.43Å
718	C	96.9	Very high	94.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.1	-34.9	175.2	-79.5	0	0	0	0	113.9	G629 L701 D714 Y715 E716 A721 L722	G629-C718 WeakPolarHBondContact CA-SG 3.43Å; L701-C718 HydrophobicContact CD2-CB 4.34Å; D714-C718 VanDerWaalsContact O-CB 3.27Å; D714-C718 WeakPolarHBondContact O-CB 3.3Å; D714-C718 PolarHBondContact O-N 3.38Å; D714-C718 PolarHBondContact O-SG 2.88Å; D714-C718 VanDerWaalsContact O-SG 3.4Å; Y715-C718 PolarHBondContact O-N 3.09Å; E716-C718 PolarHBondContact O-N 2.89Å; C718-A721 PolarHBondContact O-N 2.98Å; C718-L722 VanDerWaalsContact O-CB 3.3Å; C718-L722 WeakPolarHBondContact O-CB 3.37Å; C718-L722 PolarHBondContact O-N 2.98Å
719	K	97.5	Very high	94.5	Very high	79 Å²	79	53 Å²	53	34%	0.343	28%	0.276	S	S	.	.	H	α-helix	trans	-71.3	-42.4	-178.1	170	-179	154.3	-133.4	0	111.9	Y715 E716 L722 K723	Y715-K719 HydrophobicContact CD1-CD 4.4Å; Y715-K719 HydrophobicContact CE1-CD 3.77Å; Y715-K719 WeakPolarHBondContact O-CB 3.47Å; Y715-K719 PolarHBondContact O-N 2.82Å; E716-K719 PolarHBondContact O-N 2.9Å; E716-K719 IonicContact OE1-NZ 2.75Å; E716-K719 PolarHBondContact OE1-NZ 2.9Å; E716-K719 IonicContact OE2-NZ 2.62Å; E716-K719 PolarHBondContact OE2-NZ 2.7Å; K719-L722 WeakPolarHBondContact O-CB 3.34Å; K719-L722 PolarHBondContact O-N 2.89Å; K719-K723 PolarHBondContact O-N 3.23Å
720	E	97.8	Very high	94.7	Very high	64 Å²	64	54.7 Å²	54.7	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-69.6	-40.1	171.7	-69	-66	113.8	0	0	110.5	L633 E716 L722 K723 E724	L633-E720 HydrophobicContact CD1-CB 3.83Å; E716-E720 PolarHBondContact O-N 2.99Å; E720-L722 VanDerWaalsContact C-N 3.27Å; E720-L722 PolarHBondContact O-N 3.38Å; E720-K723 WeakPolarHBondContact O-CB 3.4Å; E720-K723 PolarHBondContact O-N 2.88Å; E720-K723 VanDerWaalsContact O-N 3.14Å; E720-K723 WeakPolarHBondContact OE1-CD 3.39Å; E720-K723 IonicContact OE1-NZ 3.35Å; E720-K723 PolarHBondContact OE1-NZ 2.92Å; E720-K723 IonicContact OE2-NZ 2.63Å; E720-K723 PolarHBondContact OE2-NZ 3.14Å; E720-E724 VanDerWaalsContact O-CG 3.27Å; E720-E724 WeakPolarHBondContact O-CG 3.41Å; E720-E724 PolarHBondContact O-N 3.01Å
721	A	97.9	Very high	94.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.3	-39	173.3	0	0	0	0	0	112.8	M632 L633 M636 L701 D717 C718 V725	M632-A721 HydrophobicContact CB-CB 3.98Å; L633-A721 HydrophobicContact CB-CB 4.04Å; L633-A721 HydrophobicContact CD1-CB 4.44Å; M636-A721 HydrophobicContact CG-CB 4.36Å; L701-A721 HydrophobicContact CD1-CB 4.07Å; L701-A721 HydrophobicContact CD2-CB 4.02Å; D717-A721 VanDerWaalsContact O-CB 3.28Å; D717-A721 WeakPolarHBondContact O-CB 3.43Å; D717-A721 PolarHBondContact O-N 3.43Å; C718-A721 PolarHBondContact O-N 2.98Å; A721-V725 PolarHBondContact O-N 3.14Å; A721-V725 VanDerWaalsContact O-N 3.15Å
722	L	98	Very high	95.2	Very high	33 Å²	33	50.7 Å²	50.7	17%	0.173	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-46.2	175.2	174.2	57.2	0	0	0	111.7	K698 L701 E702 C705 C718 K719 E720 V725 A726	K698-L722 HydrophobicContact CG-CD1 3.85Å; L701-L722 HydrophobicContact CB-CB 4.03Å; L701-L722 HydrophobicContact CB-CD1 4.04Å; E702-L722 HydrophobicContact CG-CD1 3.7Å; E702-L722 HydrophobicContact CG-CD2 3.91Å; E702-L722 HydrophobicContact CG-CG 4.47Å; C705-L722 HydrophobicContact CB-CD2 4.48Å; C718-L722 VanDerWaalsContact O-CB 3.3Å; C718-L722 WeakPolarHBondContact O-CB 3.37Å; C718-L722 PolarHBondContact O-N 2.98Å; K719-L722 WeakPolarHBondContact O-CB 3.34Å; K719-L722 PolarHBondContact O-N 2.89Å; E720-L722 VanDerWaalsContact C-N 3.27Å; E720-L722 PolarHBondContact O-N 3.38Å; L722-V725 WeakPolarHBondContact O-CG1 3.08Å; L722-V725 PolarHBondContact O-N 3.2Å; L722-A726 WeakPolarHBondContact O-CB 3.39Å; L722-A726 PolarHBondContact O-N 2.84Å
723	K	97.6	Very high	95.4	Very high	111 Å²	111	50.8 Å²	50.8	48%	0.483	24%	0.24	S	C	.	.	H	α-helix	trans	-59.8	-47.1	176.6	164.6	-173.4	159.1	-160.2	0	111.3	K719 E720 V725 A726 E727	K719-K723 PolarHBondContact O-N 3.23Å; E720-K723 WeakPolarHBondContact O-CB 3.4Å; E720-K723 PolarHBondContact O-N 2.88Å; E720-K723 VanDerWaalsContact O-N 3.14Å; E720-K723 WeakPolarHBondContact OE1-CD 3.39Å; E720-K723 IonicContact OE1-NZ 3.35Å; E720-K723 PolarHBondContact OE1-NZ 2.92Å; E720-K723 IonicContact OE2-NZ 2.63Å; E720-K723 PolarHBondContact OE2-NZ 3.14Å; K723-V725 PolarHBondContact O-N 2.98Å; K723-A726 PolarHBondContact O-N 3.37Å; K723-E727 PolarHBondContact O-N 2.85Å
724	E	97	Very high	95.6	Very high	29 Å²	29	48.1 Å²	48.1	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-47.6	178.5	-68.3	-70.4	99.3	0	0	111.9	L633 M636 C637 K640 E720 I728	L633-E724 HydrophobicContact CD1-CG 4.38Å; M636-E724 HydrophobicContact CB-CB 4.09Å; C637-E724 PolarHBondContact SG-OE2 2.8Å; K640-E724 WeakPolarHBondContact CD-OE2 3.39Å; K640-E724 WeakPolarHBondContact CE-OE2 3.48Å; K640-E724 IonicContact NZ-OE1 2.65Å; K640-E724 PolarHBondContact NZ-OE1 2.91Å; K640-E724 IonicContact NZ-OE2 2.72Å; K640-E724 PolarHBondContact NZ-OE2 3.36Å; E720-E724 VanDerWaalsContact O-CG 3.27Å; E720-E724 WeakPolarHBondContact O-CG 3.41Å; E720-E724 PolarHBondContact O-N 3.01Å; E724-I728 WeakPolarHBondContact O-CG1 3.36Å
725	V	96.6	Very high	95.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-76	-29.3	178.5	74.6	0	0	0	0	113.1	M636 L694 K698 L701 A721 L722 K723 E727 I728 A729	M636-V725 HydrophobicContact CG-CB 4.19Å; M636-V725 HydrophobicContact SD-CB 3.82Å; M636-V725 HydrophobicContact SD-CG2 3.86Å; L694-V725 HydrophobicContact CB-CG2 4.3Å; L694-V725 HydrophobicContact CD2-CG2 4.18Å; K698-V725 HydrophobicContact CB-CG1 4.02Å; L701-V725 HydrophobicContact CD1-CG1 3.91Å; A721-V725 PolarHBondContact O-N 3.14Å; A721-V725 VanDerWaalsContact O-N 3.15Å; L722-V725 WeakPolarHBondContact O-CG1 3.08Å; L722-V725 PolarHBondContact O-N 3.2Å; K723-V725 PolarHBondContact O-N 2.98Å; V725-E727 VanDerWaalsContact C-N 3.32Å; V725-E727 PolarHBondContact O-N 3.22Å; V725-I728 PolarHBondContact O-N 2.99Å; V725-A729 WeakPolarHBondContact O-CB 3.45Å; V725-A729 PolarHBondContact O-N 3.13Å
726	A	96.6	Very high	95.6	Very high	23 Å²	23	46.9 Å²	46.9	19%	0.19	24%	0.241	C	C	.	.	H	α-helix	trans	-67.3	-32.3	175.9	0	0	0	0	0	112.3	K698 L722 K723 T730	K698-A726 HydrophobicContact CD-CB 4.49Å; L722-A726 WeakPolarHBondContact O-CB 3.39Å; L722-A726 PolarHBondContact O-N 2.84Å; K723-A726 PolarHBondContact O-N 3.37Å; A726-T730 WeakPolarHBondContact O-CB 3.47Å; A726-T730 PolarHBondContact O-N 3.45Å; A726-T730 PolarHBondContact O-OG1 2.88Å
727	E	96	Very high	95.4	Very high	110 Å²	110	47 Å²	47	51%	0.514	24%	0.244	S	C	.	.	H	α-helix	trans	-63.6	-53.9	172.4	-172.8	176.6	-167.6	0	0	111.2	K640 K723 V725 A729 T730 Q731	K640-E727 VanDerWaalsContact CE-OE2 3.29Å; K640-E727 WeakPolarHBondContact CE-OE2 3.45Å; K640-E727 IonicContact NZ-OE2 2.77Å; K640-E727 PolarHBondContact NZ-OE2 2.83Å; K723-E727 PolarHBondContact O-N 2.85Å; V725-E727 VanDerWaalsContact C-N 3.32Å; V725-E727 PolarHBondContact O-N 3.22Å; E727-A729 VanDerWaalsContact C-N 3.32Å; E727-A729 PolarHBondContact O-N 3.21Å; E727-T730 PolarHBondContact O-N 2.9Å; E727-Q731 PolarHBondContact O-N 2.91Å
728	I	94.8	Very high	95.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-44.4	177	-50.6	166.5	0	0	0	110.5	K640 T643 L694 E724 V725 T730 Q731 L732	K640-I728 HydrophobicContact CB-CD1 4.42Å; K640-I728 HydrophobicContact CG-CD1 3.69Å; K640-I728 HydrophobicContact CG-CG1 3.87Å; T643-I728 HydrophobicContact CG2-CG2 4.27Å; L694-I728 HydrophobicContact CD1-CB 4.48Å; L694-I728 HydrophobicContact CD1-CG2 3.62Å; E724-I728 WeakPolarHBondContact O-CG1 3.36Å; V725-I728 PolarHBondContact O-N 2.99Å; I728-T730 PolarHBondContact O-N 2.91Å; I728-Q731 PolarHBondContact O-N 3.36Å; I728-L732 HydrophobicContact CG2-CD1 3.86Å; I728-L732 HydrophobicContact CG2-CG 4.44Å; I728-L732 WeakPolarHBondContact O-CG 3.31Å; I728-L732 PolarHBondContact O-N 3.48Å
729	A	93.3	Very high	95.1	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-44.2	178.4	0	0	0	0	0	111.8	M695 K698 V725 E727 Q731 L732 Q733	M695-A729 HydrophobicContact CE-CB 3.9Å; M695-A729 HydrophobicContact SD-CB 3.68Å; K698-A729 HydrophobicContact CD-CB 4.46Å; V725-A729 WeakPolarHBondContact O-CB 3.45Å; V725-A729 PolarHBondContact O-N 3.13Å; E727-A729 VanDerWaalsContact C-N 3.32Å; E727-A729 PolarHBondContact O-N 3.21Å; A729-Q731 VanDerWaalsContact C-N 3.34Å; A729-Q731 PolarHBondContact O-N 2.77Å; A729-L732 PolarHBondContact O-N 3.37Å; A729-Q733 WeakPolarHBondContact O-CB 3.18Å; A729-Q733 PolarHBondContact O-N 3.26Å
730	T	93.9	Very high	95	Very high	104 Å²	104	48.6 Å²	48.6	64%	0.638	25%	0.246	S	C	*	.	H	α-helix	trans	-63.9	-40.1	177.5	-56.6	0	0	0	0	111.4	A726 E727 I728 L732	A726-T730 WeakPolarHBondContact O-CB 3.47Å; A726-T730 PolarHBondContact O-N 3.45Å; A726-T730 PolarHBondContact O-OG1 2.88Å; E727-T730 PolarHBondContact O-N 2.9Å; I728-T730 PolarHBondContact O-N 2.91Å; T730-L732 VanDerWaalsContact C-N 3.34Å; T730-L732 PolarHBondContact O-N 3.2Å
731	Q	94.6	Very high	94.9	Very high	110 Å²	110	46.7 Å²	46.7	51%	0.514	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-33.9	176.8	-169.3	178.3	14.1	0	0	113.1	E727 I728 A729	E727-Q731 PolarHBondContact O-N 2.91Å; I728-Q731 PolarHBondContact O-N 3.36Å; A729-Q731 VanDerWaalsContact C-N 3.34Å; A729-Q731 PolarHBondContact O-N 2.77Å
732	L	94.2	Very high	94.8	Very high	2 Å²	2	49 Å²	49	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-95.9	-9.8	-177.1	-64.2	176.8	0	0	0	114.5	T643 L646 Q647 I691 L694 I728 A729 T730 S734 S735 L736	T643-L732 HydrophobicContact CG2-CD2 4.26Å; T643-L732 HydrophobicContact CG2-CG 4.46Å; L646-L732 HydrophobicContact CB-CD1 3.81Å; L646-L732 HydrophobicContact CB-CD2 4.38Å; L646-L732 HydrophobicContact CD1-CD1 3.77Å; L646-L732 HydrophobicContact CG-CD1 4.41Å; Q647-L732 HydrophobicContact CG-CD2 3.77Å; I691-L732 HydrophobicContact CG2-CB 4.01Å; I691-L732 HydrophobicContact CG2-CD1 4.32Å; L694-L732 HydrophobicContact CD1-CD1 3.62Å; I728-L732 HydrophobicContact CG2-CD1 3.86Å; I728-L732 HydrophobicContact CG2-CG 4.44Å; I728-L732 WeakPolarHBondContact O-CG 3.31Å; I728-L732 PolarHBondContact O-N 3.48Å; A729-L732 PolarHBondContact O-N 3.37Å; T730-L732 VanDerWaalsContact C-N 3.34Å; T730-L732 PolarHBondContact O-N 3.2Å; L732-S734 VanDerWaalsContact C-N 3.34Å; L732-S734 PolarHBondContact O-N 3.02Å; L732-S735 WeakPolarHBondContact O-CA 3.29Å; L732-S735 WeakPolarHBondContact O-CB 3.36Å; L732-S735 PolarHBondContact O-N 3.04Å; L732-L736 PolarHBondContact O-N 3Å
733	Q	93.1	Very high	94.6	Very high	77 Å²	77	48.3 Å²	48.3	36%	0.36	24%	0.244	S	C	.	.	H	α-helix	trans	-55.2	-42.3	-172.2	-175.2	62.4	78	0	0	113.9	A729 L736 I737	A729-Q733 WeakPolarHBondContact O-CB 3.18Å; A729-Q733 PolarHBondContact O-N 3.26Å; Q733-L736 PolarHBondContact O-N 3.06Å; Q733-I737 HydrophobicContact CG-CD1 4.19Å; Q733-I737 WeakPolarHBondContact O-CG1 3.47Å; Q733-I737 PolarHBondContact O-N 3.33Å; Q733-I737 VanDerWaalsContact O-N 3.12Å
734	S	92.4	Very high	94.5	Very high	87 Å²	87	43.2 Å²	43.2	61%	0.608	22%	0.222	S	C	*	.	H	α-helix	trans	-70.4	-34	178.2	56.5	0	0	0	0	112.4	L732 R738	L732-S734 VanDerWaalsContact C-N 3.34Å; L732-S734 PolarHBondContact O-N 3.02Å; S734-R738 WeakPolarHBondContact O-CB 3.49Å; S734-R738 PolarHBondContact O-N 3.46Å
735	S	92.7	Very high	94.4	Very high	17 Å²	17	42 Å²	42	12%	0.119	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-42.3	172.9	-160.4	0	0	0	0	110.9	L732 R738 L739	L732-S735 WeakPolarHBondContact O-CA 3.29Å; L732-S735 WeakPolarHBondContact O-CB 3.36Å; L732-S735 PolarHBondContact O-N 3.04Å; S735-R738 PolarHBondContact O-N 3.33Å; S735-L739 VanDerWaalsContact O-CB 3.23Å; S735-L739 WeakPolarHBondContact O-CB 3.48Å; S735-L739 VanDerWaalsContact O-CG 3.28Å; S735-L739 WeakPolarHBondContact O-CG 3.16Å; S735-L739 PolarHBondContact O-N 3.4Å
736	L	93.7	Very high	94.2	Very high	9 Å²	9	42 Å²	42	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-51.7	177.3	-178.2	60.7	0	0	0	111.6	I691 Q692 M695 L732 Q733 R738 L739 E740	I691-L736 HydrophobicContact CB-CD1 4.19Å; I691-L736 HydrophobicContact CG2-CB 3.93Å; I691-L736 HydrophobicContact CG2-CD1 4.03Å; I691-L736 HydrophobicContact CG2-CD2 4.31Å; I691-L736 HydrophobicContact CG2-CG 4.31Å; Q692-L736 HydrophobicContact CG-CD1 3.94Å; M695-L736 HydrophobicContact CE-CD2 3.98Å; M695-L736 HydrophobicContact CG-CD2 3.82Å; M695-L736 HydrophobicContact SD-CD2 4.48Å; L732-L736 PolarHBondContact O-N 3Å; Q733-L736 PolarHBondContact O-N 3.06Å; L736-R738 VanDerWaalsContact C-N 3.29Å; L736-R738 PolarHBondContact O-N 3.22Å; L736-L739 WeakPolarHBondContact O-CB 3.44Å; L736-L739 PolarHBondContact O-N 3.15Å; L736-L739 VanDerWaalsContact O-N 3.15Å; L736-E740 HydrophobicContact CD1-CG 3.83Å; L736-E740 HydrophobicContact CG-CG 4.24Å; L736-E740 WeakPolarHBondContact O-CG 3.4Å; L736-E740 PolarHBondContact O-N 3.31Å
737	I	93.1	Very high	94	Very high	91 Å²	91	41.2 Å²	41.2	47%	0.467	21%	0.209	S	C	.	.	H	α-helix	trans	-57.1	-44.2	-179.6	-67.7	162.6	0	0	0	111	Q733 N741	Q733-I737 HydrophobicContact CG-CD1 4.19Å; Q733-I737 WeakPolarHBondContact O-CG1 3.47Å; Q733-I737 PolarHBondContact O-N 3.33Å; Q733-I737 VanDerWaalsContact O-N 3.12Å; I737-N741 WeakPolarHBondContact O-CB 3.43Å; I737-N741 PolarHBondContact O-N 2.94Å; I737-N741 VanDerWaalsContact O-N 3.09Å
738	R	92.8	Very high	93.8	Very high	130 Å²	130	36 Å²	36	49%	0.491	18%	0.184	S	C	.	.	H	α-helix	trans	-65.8	-41.7	178.1	-172.9	166.7	64.9	94.3	-2.4	112.5	D650 S734 S735 L736 F742	D650-R738 IonicContact OD1-CZ 2.6Å; D650-R738 VanDerWaalsContact OD1-CZ 3.28Å; D650-R738 IonicContact OD1-NH1 3.41Å; D650-R738 PolarHBondContact OD1-NH1 2.9Å; D650-R738 IonicContact OD1-NH2 2.72Å; D650-R738 PolarHBondContact OD1-NH2 3.09Å; D650-R738 IonicContact OD2-CZ 2.84Å; D650-R738 IonicContact OD2-NH1 3.28Å; D650-R738 PolarHBondContact OD2-NH1 3.42Å; D650-R738 IonicContact OD2-NH2 2.79Å; D650-R738 PolarHBondContact OD2-NH2 2.84Å; S734-R738 WeakPolarHBondContact O-CB 3.49Å; S734-R738 PolarHBondContact O-N 3.46Å; S735-R738 PolarHBondContact O-N 3.33Å; L736-R738 VanDerWaalsContact C-N 3.29Å; L736-R738 PolarHBondContact O-N 3.22Å; R738-F742 WeakPolarHBondContact O-CB 3.3Å; R738-F742 PolarHBondContact O-N 2.69Å
739	L	94.2	Very high	93.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-45.8	176.7	-85.3	168.4	0	0	0	112.6	H649 D650 L653 L688 I691 S735 L736 F742 Q743	H649-L739 HydrophobicContact CB-CD1 4.11Å; D650-L739 HydrophobicContact CB-CD2 4.15Å; D650-L739 HydrophobicContact CB-CG 4.39Å; L653-L739 HydrophobicContact CB-CD2 4.15Å; L653-L739 HydrophobicContact CD2-CD2 3.58Å; L653-L739 HydrophobicContact CG-CD2 4.49Å; L688-L739 HydrophobicContact CD2-CB 3.7Å; I691-L739 HydrophobicContact CD1-CD1 3.6Å; S735-L739 VanDerWaalsContact O-CB 3.23Å; S735-L739 WeakPolarHBondContact O-CB 3.48Å; S735-L739 VanDerWaalsContact O-CG 3.28Å; S735-L739 WeakPolarHBondContact O-CG 3.16Å; S735-L739 PolarHBondContact O-N 3.4Å; L736-L739 WeakPolarHBondContact O-CB 3.44Å; L736-L739 PolarHBondContact O-N 3.15Å; L736-L739 VanDerWaalsContact O-N 3.15Å; L739-F742 PolarHBondContact O-N 3.16Å; L739-Q743 WeakPolarHBondContact O-CB 3.49Å; L739-Q743 PolarHBondContact O-N 3.29Å
740	E	95.1	Very high	93.5	Very high	17 Å²	17	39.8 Å²	39.8	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-43.8	178.4	-67.1	-170.2	156.1	0	0	111	L688 Q692 L736 Q743 K744 M937 S941	L688-E740 HydrophobicContact CD1-CG 4.21Å; L688-E740 HydrophobicContact CD2-CG 4.47Å; Q692-E740 PolarHBondContact NE2-OE1 2.93Å; L736-E740 HydrophobicContact CD1-CG 3.83Å; L736-E740 HydrophobicContact CG-CG 4.24Å; L736-E740 WeakPolarHBondContact O-CG 3.4Å; L736-E740 PolarHBondContact O-N 3.31Å; E740-Q743 PolarHBondContact O-N 3.27Å; E740-K744 PolarHBondContact O-N 2.87Å; E740-M937 HydrophobicContact CB-CE 3.49Å; E740-M937 VanDerWaalsContact CB-CE 3.49Å; E740-S941 PolarHBondContact OE2-OG 3.34Å
741	N	95.9	Very high	93.2	Very high	24 Å²	24	34.9 Å²	34.9	13%	0.128	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-46.3	173.5	178.5	49.8	0	0	0	111.7	I737 Q743 K744 L745 R763 E764 F765	I737-N741 WeakPolarHBondContact O-CB 3.43Å; I737-N741 PolarHBondContact O-N 2.94Å; I737-N741 VanDerWaalsContact O-N 3.09Å; N741-Q743 PolarHBondContact O-N 3.27Å; N741-K744 PolarHBondContact O-N 3.42Å; N741-L745 WeakPolarHBondContact O-CG 3.46Å; N741-L745 PolarHBondContact O-N 2.74Å; N741-R763 PolarHBondContact ND2-O 3.3Å; N741-E764 WeakPolarHBondContact OD1-CA 3.3Å; N741-F765 PolarHBondContact OD1-N 2.96Å
742	F	94.9	Very high	93.2	Very high	49 Å²	49	30 Å²	30	22%	0.215	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-38.9	177.6	-173.9	-97.7	0	0	0	112.5	L653 E657 R738 L739 L745 T746	L653-F742 HydrophobicContact CD2-CD1 3.78Å; L653-F742 HydrophobicContact CD2-CE1 4.43Å; L653-F742 HydrophobicContact CG-CD1 3.9Å; L653-F742 HydrophobicContact CG-CE1 4.04Å; E657-F742 HydrophobicContact CB-CE1 4.2Å; E657-F742 HydrophobicContact CB-CZ 4.24Å; E657-F742 HydrophobicContact CG-CE1 4.37Å; E657-F742 HydrophobicContact CG-CZ 4.12Å; R738-F742 WeakPolarHBondContact O-CB 3.3Å; R738-F742 PolarHBondContact O-N 2.69Å; L739-F742 PolarHBondContact O-N 3.16Å; F742-L745 PolarHBondContact O-N 2.86Å; F742-T746 HydrophobicContact CD1-CG2 4.07Å; F742-T746 HydrophobicContact CE1-CG2 3.69Å; F742-T746 HydrophobicContact CE2-CG2 4.26Å; F742-T746 HydrophobicContact CZ-CG2 3.8Å; F742-T746 WeakPolarHBondContact O-CB 3.49Å; F742-T746 WeakPolarHBondContact O-CG2 3.41Å; F742-T746 PolarHBondContact O-N 2.74Å; F742-T746 PolarHBondContact O-OG1 3.18Å
743	Q	94.8	Very high	93.1	Very high	18 Å²	18	32.8 Å²	32.8	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-45.6	172.5	-168.8	-93.5	-97.1	0	0	111	N684 T685 L688 L739 E740 N741 T746 E747	N684-Q743 HydrophobicContact CB-CG 3.71Å; T685-Q743 PolarHBondContact OG1-OE1 2.95Å; L688-Q743 HydrophobicContact CD1-CB 3.95Å; L688-Q743 HydrophobicContact CD1-CG 3.93Å; L688-Q743 HydrophobicContact CD2-CB 4.49Å; L739-Q743 WeakPolarHBondContact O-CB 3.49Å; L739-Q743 PolarHBondContact O-N 3.29Å; E740-Q743 PolarHBondContact O-N 3.27Å; N741-Q743 PolarHBondContact O-N 3.27Å; Q743-T746 WeakPolarHBondContact CA-OG1 3.45Å; Q743-T746 PolarHBondContact O-N 3.32Å; Q743-T746 PolarHBondContact O-OG1 3.19Å; Q743-E747 PolarHBondContact NE2-OE2 2.91Å; Q743-E747 WeakPolarHBondContact O-CB 3.35Å; Q743-E747 PolarHBondContact O-N 3.09Å
744	K	94.8	Very high	92.8	Very high	5 Å²	5	32.3 Å²	32.3	2%	0.022	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-40.1	-179.3	-170.9	59.3	-179.3	174.9	0	112.2	E740 N741 E747 L748 F765 E768 H940	E740-K744 PolarHBondContact O-N 2.87Å; N741-K744 PolarHBondContact O-N 3.42Å; K744-E747 IonicContact NZ-OE1 3.83Å; K744-E747 PolarHBondContact O-N 3.15Å; K744-L748 HydrophobicContact CD-CG 4.48Å; K744-L748 HydrophobicContact CG-CD1 4.19Å; K744-L748 WeakPolarHBondContact O-CB 3.38Å; K744-L748 VanDerWaalsContact O-CG 3.24Å; K744-L748 WeakPolarHBondContact O-CG 3.1Å; K744-L748 PolarHBondContact O-N 3.11Å; K744-F765 HydrophobicContact CD-CE1 4.46Å; K744-F765 HydrophobicContact CG-CB 4.16Å; K744-F765 HydrophobicContact CG-CD1 3.59Å; K744-F765 HydrophobicContact CG-CD2 4.27Å; K744-F765 HydrophobicContact CG-CE1 3.98Å; K744-F765 HydrophobicContact CG-CG 3.73Å; K744-F765 HydrophobicContact CG-CZ 4.46Å; K744-E768 VanDerWaalsContact CE-OE2 3.24Å; K744-E768 WeakPolarHBondContact CE-OE2 3.39Å; K744-E768 IonicContact NZ-OE1 2.75Å; K744-E768 PolarHBondContact NZ-OE1 3.26Å; K744-E768 IonicContact NZ-OE2 3.63Å; K744-E768 PolarHBondContact NZ-OE2 3.02Å; K744-H940 WeakPolarHBondContact CE-NE2 3.45Å; K744-H940 PolarHBondContact NZ-NE2 3.02Å; K744-H940 VanDerWaalsContact NZ-NE2 3.2Å
745	L	95.1	Very high	92.7	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-38	175.7	-67.1	178.5	0	0	0	112.7	N741 F742 Q749 T759 R763 F765 F787	N741-L745 WeakPolarHBondContact O-CG 3.46Å; N741-L745 PolarHBondContact O-N 2.74Å; F742-L745 PolarHBondContact O-N 2.86Å; L745-Q749 VanDerWaalsContact O-CB 3.28Å; L745-Q749 WeakPolarHBondContact O-CB 3.49Å; L745-Q749 PolarHBondContact O-N 3.4Å; L745-T759 HydrophobicContact CB-CG2 3.9Å; L745-R763 HydrophobicContact CD1-CB 4.47Å; L745-R763 WeakPolarHBondContact CD1-O 3.3Å; L745-F765 HydrophobicContact CD2-CB 4.27Å; L745-F787 HydrophobicContact CD2-CD1 3.76Å; L745-F787 HydrophobicContact CD2-CE1 3.58Å
746	T	91.9	Very high	92.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.7	-37.5	175.1	50.5	0	0	0	0	112.2	E657 N684 F742 Q743 R750 T759	E657-T746 HydrophobicContact CG-CG2 3.69Å; E657-T746 WeakPolarHBondContact OE1-CG2 3.45Å; N684-T746 PolarHBondContact ND2-OG1 3.44Å; F742-T746 HydrophobicContact CD1-CG2 4.07Å; F742-T746 HydrophobicContact CE1-CG2 3.69Å; F742-T746 HydrophobicContact CE2-CG2 4.26Å; F742-T746 HydrophobicContact CZ-CG2 3.8Å; F742-T746 WeakPolarHBondContact O-CB 3.49Å; F742-T746 WeakPolarHBondContact O-CG2 3.41Å; F742-T746 PolarHBondContact O-N 2.74Å; F742-T746 PolarHBondContact O-OG1 3.18Å; Q743-T746 WeakPolarHBondContact CA-OG1 3.45Å; Q743-T746 PolarHBondContact O-N 3.32Å; Q743-T746 PolarHBondContact O-OG1 3.19Å; T746-R750 WeakPolarHBondContact O-CD 3.24Å; T746-R750 VanDerWaalsContact O-CG 3.28Å; T746-R750 WeakPolarHBondContact O-CG 3.35Å; T746-R750 PolarHBondContact O-N 3.24Å; T746-T759 HydrophobicContact CG2-CG2 3.68Å
747	E	91.9	Very high	91.9	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.028	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-52.3	170.7	-174.9	-172.3	146.6	0	0	111.1	Q743 K744 Q749 R750 D751	Q743-E747 PolarHBondContact NE2-OE2 2.91Å; Q743-E747 WeakPolarHBondContact O-CB 3.35Å; Q743-E747 PolarHBondContact O-N 3.09Å; K744-E747 IonicContact NZ-OE1 3.83Å; K744-E747 PolarHBondContact O-N 3.15Å; E747-Q749 VanDerWaalsContact C-N 3.33Å; E747-Q749 PolarHBondContact O-N 3.39Å; E747-R750 WeakPolarHBondContact O-CB 3.35Å; E747-R750 PolarHBondContact O-N 3.48Å; E747-D751 PolarHBondContact O-N 3.05Å; E747-D751 VanDerWaalsContact O-N 3.09Å
748	L	93.5	Very high	91.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-38.1	179.4	-69.4	173.5	0	0	0	112.6	K744 R750 D751 L752 L758 F765 F785 F787 M925	K744-L748 HydrophobicContact CD-CG 4.48Å; K744-L748 HydrophobicContact CG-CD1 4.19Å; K744-L748 WeakPolarHBondContact O-CB 3.38Å; K744-L748 VanDerWaalsContact O-CG 3.24Å; K744-L748 WeakPolarHBondContact O-CG 3.1Å; K744-L748 PolarHBondContact O-N 3.11Å; L748-R750 PolarHBondContact O-N 2.72Å; L748-D751 PolarHBondContact O-N 3.27Å; L748-L752 WeakPolarHBondContact O-CB 3.08Å; L748-L752 VanDerWaalsContact O-CG 3.31Å; L748-L752 WeakPolarHBondContact O-CG 3.31Å; L748-L752 PolarHBondContact O-N 2.88Å; L748-L758 HydrophobicContact CB-CD2 3.6Å; L748-F765 HydrophobicContact CD1-CD2 3.57Å; L748-F765 HydrophobicContact CD1-CE2 3.86Å; L748-F765 HydrophobicContact CD1-CG 4.34Å; L748-F785 HydrophobicContact CD2-CD1 3.95Å; L748-F785 HydrophobicContact CD2-CE1 3.83Å; L748-F787 HydrophobicContact CD1-CE1 3.84Å; L748-F787 HydrophobicContact CD1-CZ 3.98Å; L748-M925 HydrophobicContact CD2-CE 3.38Å
749	Q	92.3	Very high	91.7	Very high	35 Å²	35	32.7 Å²	32.7	16%	0.164	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-22.1	175.2	-178.7	60.1	94.6	0	0	113	L745 E747 I755 L758 T759	L745-Q749 VanDerWaalsContact O-CB 3.28Å; L745-Q749 WeakPolarHBondContact O-CB 3.49Å; L745-Q749 PolarHBondContact O-N 3.4Å; E747-Q749 VanDerWaalsContact C-N 3.33Å; E747-Q749 PolarHBondContact O-N 3.39Å; Q749-I755 PolarHBondContact NE2-O 2.89Å; Q749-L758 HydrophobicContact CB-CB 4.28Å; Q749-L758 HydrophobicContact CB-CD2 4.49Å; Q749-T759 HydrophobicContact CB-CG2 4.43Å
750	R	88.2	Confident	91.4	Very high	48 Å²	48	34 Å²	34	18%	0.181	19%	0.189	C	C	.	.	H	α-helix	trans	-92.2	-24.4	176.5	-64.9	169.8	68.2	-142	-6.6	112.9	E674 T746 E747 L748 Q803 R920	E674-R750 VanDerWaalsContact CD-NH1 3.34Å; E674-R750 IonicContact OE1-CZ 3.93Å; E674-R750 IonicContact OE1-NH1 2.69Å; E674-R750 PolarHBondContact OE1-NH1 2.88Å; E674-R750 IonicContact OE1-NH2 3.89Å; E674-R750 IonicContact OE2-CZ 3.81Å; E674-R750 VanDerWaalsContact OE2-CZ 3.27Å; E674-R750 IonicContact OE2-NH1 2.7Å; E674-R750 PolarHBondContact OE2-NH1 3.47Å; E674-R750 IonicContact OE2-NH2 2.74Å; E674-R750 PolarHBondContact OE2-NH2 2.6Å; T746-R750 WeakPolarHBondContact O-CD 3.24Å; T746-R750 VanDerWaalsContact O-CG 3.28Å; T746-R750 WeakPolarHBondContact O-CG 3.35Å; T746-R750 PolarHBondContact O-N 3.24Å; E747-R750 WeakPolarHBondContact O-CB 3.35Å; E747-R750 PolarHBondContact O-N 3.48Å; L748-R750 PolarHBondContact O-N 2.72Å; R750-Q803 PolarHBondContact O-NE2 3.05Å; R750-R920 PolarHBondContact O-NH1 3.37Å
751	D	89	Confident	91	Very high	1 Å²	1	40 Å²	40	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-91.9	-21.7	-178.4	-73.8	31.6	0	0	0	113.1	E747 L748 Q803 F804 R920 T923 M925 H926	E747-D751 PolarHBondContact O-N 3.05Å; E747-D751 VanDerWaalsContact O-N 3.09Å; L748-D751 PolarHBondContact O-N 3.27Å; D751-Q803 WeakPolarHBondContact O-CA 3.43Å; D751-Q803 WeakPolarHBondContact O-CB 3.43Å; D751-F804 PolarHBondContact O-N 3.35Å; D751-R920 IonicContact OD1-CZ 2.73Å; D751-R920 IonicContact OD1-NH1 3.19Å; D751-R920 PolarHBondContact OD1-NH1 3.43Å; D751-R920 IonicContact OD1-NH2 3.12Å; D751-R920 PolarHBondContact OD1-NH2 2.83Å; D751-T923 WeakPolarHBondContact OD2-CG2 3.06Å; D751-T923 PolarHBondContact OD2-OG1 3.29Å; D751-M925 HydrophobicContact CB-CE 3.4Å; D751-M925 VanDerWaalsContact CB-CE 3.4Å; D751-M925 HydrophobicContact CB-SD 4.13Å; D751-H926 IonicContact OD2-CE1 2.74Å
752	L	92.6	Very high	90.5	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.8	179.6	-60.1	-178.1	0	0	0	112.9	L748 I755 L758 F785 L792 F804 V806 M925	L748-L752 WeakPolarHBondContact O-CB 3.08Å; L748-L752 VanDerWaalsContact O-CG 3.31Å; L748-L752 WeakPolarHBondContact O-CG 3.31Å; L748-L752 PolarHBondContact O-N 2.88Å; L752-I755 HydrophobicContact CB-CG2 3.79Å; L752-I755 HydrophobicContact CD1-CG2 4.24Å; L752-L758 HydrophobicContact CD1-CD2 4.26Å; L752-F785 HydrophobicContact CD1-CD2 4.28Å; L752-F785 HydrophobicContact CD1-CE2 4.34Å; L752-F785 HydrophobicContact CD2-CD2 4.38Å; L752-F785 HydrophobicContact CD2-CE2 3.66Å; L752-F785 HydrophobicContact CD2-CZ 3.83Å; L752-L792 HydrophobicContact CD1-CD1 4.47Å; L752-F804 WeakPolarHBondContact CA-O 3.28Å; L752-F804 HydrophobicContact CD2-CB 3.96Å; L752-V806 HydrophobicContact CB-CG2 4.26Å; L752-V806 HydrophobicContact CD1-CG2 4.43Å; L752-M925 HydrophobicContact CD2-CE 4.15Å; L752-M925 HydrophobicContact CD2-SD 4.36Å; L752-M925 HydrophobicContact CG-CE 4.49Å
753	I	92.1	Very high	90.5	Very high	61 Å²	61	41.4 Å²	41.4	31%	0.313	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.3	175.7	-64.9	165	0	0	0	109.3	T799 Q803 F804 K805 V806	I753-T799 HydrophobicContact CD1-CG2 3.96Å; I753-Q803 HydrophobicContact CD1-CB 3.59Å; I753-Q803 HydrophobicContact CD1-CG 4.43Å; I753-Q803 HydrophobicContact CG1-CB 4.02Å; I753-F804 PolarHBondContact N-O 3.26Å; I753-K805 CarbonylContact O-C 3.51Å; I753-K805 WeakPolarHBondContact O-CA 3.33Å; I753-V806 PolarHBondContact O-N 3.39Å
754	G	88.4	Confident	90.6	Very high	66 Å²	66	45.8 Å²	45.8	68%	0.68	27%	0.273	S	S	*	.	S	Bend	trans	86.5	19.7	177.8	0	0	0	0	0	114.5
755	I	89	Confident	90.7	Very high	26 Å²	26	45.8 Å²	45.8	13%	0.133	27%	0.273	C	S	.	.			trans	-134.1	131.2	165.3	-173.2	65.1	0	0	0	108.4	Q749 L752 L758 L792 V806	Q749-I755 PolarHBondContact NE2-O 2.89Å; L752-I755 HydrophobicContact CB-CG2 3.79Å; L752-I755 HydrophobicContact CD1-CG2 4.24Å; I755-L758 HydrophobicContact CG1-CD1 4.37Å; I755-L792 HydrophobicContact CG1-CD1 4.21Å; I755-V806 HydrophobicContact CB-CG2 4.09Å; I755-V806 HydrophobicContact CG2-CG2 3.86Å
756	E	84.4	Confident	90.9	Very high	162 Å²	162	47.2 Å²	47.2	76%	0.757	28%	0.28	S	S	*	.			trans	-116.6	155	174.7	-64.9	-172.3	-179.6	0	0	109.4	L758	E756-L758 VanDerWaalsContact C-N 3.25Å; E756-L758 PolarHBondContact O-N 2.84Å
757	N	86.3	Confident	91.1	Very high	119 Å²	119	47.2 Å²	47.2	64%	0.636	28%	0.28	S	S	*	.			trans	56.9	36.2	179.2	-50.9	-59.5	0	0	0	113.9	T759 R763	N757-T759 PolarHBondContact O-N 3.06Å; N757-R763 PolarHBondContact O-NH1 3.29Å; N757-R763 VanDerWaalsContact O-NH1 3.09Å
758	L	91.1	Very high	91.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	28%	0.279	C	S	.	.			trans	-61.1	-35.9	170.1	-171.7	70	0	0	0	111	L748 Q749 L752 I755 E756 A760 R763 F787 L792	L748-L758 HydrophobicContact CB-CD2 3.6Å; Q749-L758 HydrophobicContact CB-CB 4.28Å; Q749-L758 HydrophobicContact CB-CD2 4.49Å; L752-L758 HydrophobicContact CD1-CD2 4.26Å; I755-L758 HydrophobicContact CG1-CD1 4.37Å; E756-L758 VanDerWaalsContact C-N 3.25Å; E756-L758 PolarHBondContact O-N 2.84Å; L758-A760 PolarHBondContact O-N 2.77Å; L758-A760 VanDerWaalsContact O-N 3.11Å; L758-R763 WeakPolarHBondContact O-CD 3.16Å; L758-R763 PolarHBondContact O-NH1 2.67Å; L758-F787 HydrophobicContact CD1-CE1 4.17Å; L758-F787 HydrophobicContact CD1-CE2 4.04Å; L758-F787 HydrophobicContact CD1-CZ 3.78Å; L758-F787 HydrophobicContact CD2-CE1 4.47Å; L758-F787 HydrophobicContact CD2-CZ 4.16Å; L758-F787 HydrophobicContact CG-CE1 4.49Å; L758-F787 HydrophobicContact CG-CZ 4.37Å; L758-L792 HydrophobicContact CD1-CD1 3.86Å
759	T	90.1	Very high	91.5	Very high	34 Å²	34	46.9 Å²	46.9	21%	0.209	28%	0.279	C	S	.	.	S	Bend	trans	-73.3	91.8	168.4	53.5	0	0	0	0	110.3	L745 T746 Q749 N757	L745-T759 HydrophobicContact CB-CG2 3.9Å; T746-T759 HydrophobicContact CG2-CG2 3.68Å; Q749-T759 HydrophobicContact CB-CG2 4.43Å; N757-T759 PolarHBondContact O-N 3.06Å
760	A	88.2	Confident	91.7	Very high	31 Å²	31	45.3 Å²	45.3	26%	0.256	27%	0.272	S	S	.	.			trans	-123.9	146.9	178.4	0	0	0	0	0	111.5	L758 G762 R763	L758-A760 PolarHBondContact O-N 2.77Å; L758-A760 VanDerWaalsContact O-N 3.11Å; A760-G762 PolarHBondContact O-N 2.97Å; A760-R763 HydrophobicContact CB-CB 4.33Å; A760-R763 PolarHBondContact O-N 3Å
761	P	86	Confident	92	Very high	141 Å²	141	43.1 Å²	43.1	92%	0.916	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	134.2	173.4	-22.7	33.8	0	0	0	111.5	R763	P761-R763 PolarHBondContact O-N 3.38Å
762	G	86.6	Confident	92.3	Very high	71 Å²	71	46 Å²	46	73%	0.732	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-5.5	-179.8	0	0	0	0	0	115.8	A760 S788	A760-G762 PolarHBondContact O-N 2.97Å; G762-S788 PolarHBondContact O-OG 2.83Å
763	R	94.6	Very high	92.4	Very high	33 Å²	33	47.2 Å²	47.2	13%	0.125	28%	0.28	C	S	.	.			trans	-77.9	132.5	168.1	-171.7	171.6	-63.9	123.3	5.8	109.8	N741 L745 N757 L758 A760 P761 F787 D789 M790	N741-R763 PolarHBondContact ND2-O 3.3Å; L745-R763 HydrophobicContact CD1-CB 4.47Å; L745-R763 WeakPolarHBondContact CD1-O 3.3Å; N757-R763 PolarHBondContact O-NH1 3.29Å; N757-R763 VanDerWaalsContact O-NH1 3.09Å; L758-R763 WeakPolarHBondContact O-CD 3.16Å; L758-R763 PolarHBondContact O-NH1 2.67Å; A760-R763 HydrophobicContact CB-CB 4.33Å; A760-R763 PolarHBondContact O-N 3Å; P761-R763 PolarHBondContact O-N 3.38Å; R763-F787 HydrophobicContact CG-CB 3.95Å; R763-F787 HydrophobicContact CG-CD1 4.24Å; R763-F787 HydrophobicContact CG-CG 4.35Å; R763-D789 WeakPolarHBondContact CD-OD1 3.49Å; R763-D789 IonicContact CZ-OD1 3.62Å; R763-D789 IonicContact CZ-OD2 2.75Å; R763-D789 VanDerWaalsContact CZ-OD2 3.26Å; R763-D789 VanDerWaalsContact NE-CG 3.32Å; R763-D789 IonicContact NE-OD1 2.82Å; R763-D789 PolarHBondContact NE-OD1 3.45Å; R763-D789 IonicContact NE-OD2 3.36Å; R763-D789 PolarHBondContact NE-OD2 3.47Å; R763-D789 IonicContact NH2-OD2 3.72Å; R763-D789 PolarHBondContact NH2-OD2 3.3Å; R763-M790 VanDerWaalsContact NH2-CE 3.35Å
764	E	96.3	Very high	92.3	Very high	109 Å²	109	46.3 Å²	46.3	51%	0.509	28%	0.275	S	S	.	.			trans	-121.7	139.6	175.8	-60.4	-175.9	153.3	0	0	109.7	N741 F787 S788	N741-E764 WeakPolarHBondContact OD1-CA 3.3Å; E764-F787 CarbonylContact O-C 3.54Å; E764-F787 WeakPolarHBondContact O-CA 3.35Å; E764-F787 WeakPolarHBondContact O-CB 3.43Å; E764-S788 PolarHBondContact N-OG 2.91Å; E764-S788 PolarHBondContact O-N 3.26Å
765	F	97.9	Very high	92.3	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.022	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.5	170.3	169.8	-100.8	0	0	0	110.5	N741 K744 L745 L748 R767 E768 F787 M937	N741-F765 PolarHBondContact OD1-N 2.96Å; K744-F765 HydrophobicContact CD-CE1 4.46Å; K744-F765 HydrophobicContact CG-CB 4.16Å; K744-F765 HydrophobicContact CG-CD1 3.59Å; K744-F765 HydrophobicContact CG-CD2 4.27Å; K744-F765 HydrophobicContact CG-CE1 3.98Å; K744-F765 HydrophobicContact CG-CG 3.73Å; K744-F765 HydrophobicContact CG-CZ 4.46Å; L745-F765 HydrophobicContact CD2-CB 4.27Å; L748-F765 HydrophobicContact CD1-CD2 3.57Å; L748-F765 HydrophobicContact CD1-CE2 3.86Å; L748-F765 HydrophobicContact CD1-CG 4.34Å; F765-R767 VanDerWaalsContact CE2-C 3.45Å; F765-E768 HydrophobicContact CE2-CB 3.83Å; F765-E768 HydrophobicContact CE2-CG 4.48Å; F765-E768 HydrophobicContact CZ-CB 3.78Å; F765-E768 HydrophobicContact CZ-CG 3.96Å; F765-E768 VanDerWaalsContact CZ-N 3.27Å; F765-F787 HydrophobicContact CB-CD1 4.35Å; F765-F787 HydrophobicContact CB-CE1 4.42Å; F765-F787 HydrophobicContact CD2-CD1 4.39Å; F765-F787 AromaticContact CD2-CE1 3.98Å; F765-F787 HydrophobicContact CD2-CE1 3.98Å; F765-M937 HydrophobicContact CD1-CB 3.95Å; F765-M937 HydrophobicContact CD1-CG 4.41Å; F765-M937 HydrophobicContact CD1-SD 3.81Å; F765-M937 HydrophobicContact CE1-CB 4.36Å; F765-M937 WeakPolarHBondContact O-CB 3.39Å
766	I	97.6	Very high	92.1	Very high	34 Å²	34	51.6 Å²	51.6	17%	0.174	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-57.8	-180	-57.5	-179.3	0	0	0	110.7	L786 D862 A866 S936 M937	I766-L786 HydrophobicContact CB-CB 4.38Å; I766-L786 HydrophobicContact CB-CD2 4.2Å; I766-L786 HydrophobicContact CB-CG 3.99Å; I766-L786 WeakPolarHBondContact CB-O 3.48Å; I766-L786 HydrophobicContact CD1-CG 4.32Å; I766-L786 HydrophobicContact CG2-CD2 3.89Å; I766-L786 HydrophobicContact CG2-CG 4.25Å; I766-L786 PolarHBondContact N-O 3Å; I766-D862 HydrophobicContact CG2-CB 4.01Å; I766-A866 HydrophobicContact CD1-CB 3.51Å; I766-S936 CarbonylContact O-C 3.43Å; I766-S936 WeakPolarHBondContact O-CA 3.44Å; I766-S936 WeakPolarHBondContact O-CB 3.42Å; I766-M937 PolarHBondContact O-N 3.37Å
767	R	97.8	Very high	92.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	137.3	-177.5	-177.1	175.9	-68.6	-76.4	-13.1	113.3	F765 F785 L786 W859 D862 S934 S936 D939	F765-R767 VanDerWaalsContact CE2-C 3.45Å; R767-F785 CarbonylContact O-C 3.46Å; R767-F785 WeakPolarHBondContact O-CA 3.43Å; R767-L786 HydrophobicContact CB-CB 4.39Å; R767-L786 PolarHBondContact N-O 3.21Å; R767-L786 PolarHBondContact O-N 2.82Å; R767-W859 HydrophobicContact CB-CH2 4.37Å; R767-W859 HydrophobicContact CB-CZ3 4.46Å; R767-W859 VanDerWaalsContact CD-CE2 3.49Å; R767-W859 HydrophobicContact CG-CH2 3.89Å; R767-W859 HydrophobicContact CG-CZ2 3.84Å; R767-W859 HydrophobicContact CG-CZ3 4.28Å; R767-D862 IonicContact CZ-OD2 3.73Å; R767-D862 IonicContact NE-OD2 3.84Å; R767-D862 PolarHBondContact NE-OD2 3.39Å; R767-D862 IonicContact NH2-OD1 3.96Å; R767-D862 IonicContact NH2-OD2 2.81Å; R767-D862 PolarHBondContact NH2-OD2 2.79Å; R767-S934 PolarHBondContact NH1-OG 3.36Å; R767-S936 PolarHBondContact NH2-OG 3Å; R767-D939 IonicContact NH1-OD2 3.61Å
768	E	97.3	Very high	92.3	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	145.8	163.6	70.6	-170.3	-178.8	0	0	109.9	K744 F765 F785 T924 M925 S934 V935 H940	K744-E768 VanDerWaalsContact CE-OE2 3.24Å; K744-E768 WeakPolarHBondContact CE-OE2 3.39Å; K744-E768 IonicContact NZ-OE1 2.75Å; K744-E768 PolarHBondContact NZ-OE1 3.26Å; K744-E768 IonicContact NZ-OE2 3.63Å; K744-E768 PolarHBondContact NZ-OE2 3.02Å; F765-E768 HydrophobicContact CE2-CB 3.83Å; F765-E768 HydrophobicContact CE2-CG 4.48Å; F765-E768 HydrophobicContact CZ-CB 3.78Å; F765-E768 HydrophobicContact CZ-CG 3.96Å; F765-E768 VanDerWaalsContact CZ-N 3.27Å; E768-F785 HydrophobicContact CB-CD1 3.57Å; E768-F785 HydrophobicContact CB-CE1 3.72Å; E768-T924 WeakPolarHBondContact OE1-CB 3.14Å; E768-M925 PolarHBondContact OE1-N 3.46Å; E768-S934 CarbonylContact O-C 3.56Å; E768-S934 WeakPolarHBondContact O-CA 3.38Å; E768-S934 VanDerWaalsContact O-CB 3.3Å; E768-S934 WeakPolarHBondContact O-CB 3.4Å; E768-V935 HydrophobicContact CG-CB 4.46Å; E768-V935 PolarHBondContact N-O 3.02Å; E768-V935 PolarHBondContact O-N 3.13Å; E768-H940 IonicContact OE1-NE2 3.74Å; E768-H940 PolarHBondContact OE1-NE2 2.75Å
769	G	96.3	Very high	92.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-178.6	171.9	0	0	0	0	0	115.2	M783 F784 T933	G769-M783 CarbonylContact O-C 3.58Å; G769-M783 WeakPolarHBondContact O-CA 3.36Å; G769-M783 WeakPolarHBondContact O-CE 3.28Å; G769-F784 PolarHBondContact N-O 2.99Å; G769-F784 PolarHBondContact O-N 2.66Å; G769-T933 VanDerWaalsContact CA-O 3.29Å; G769-T933 WeakPolarHBondContact CA-O 3.46Å
770	C	95.6	Very high	92.4	Very high	2 Å²	2	50 Å²	50	1%	0.014	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.1	-174.3	176.1	0	0	0	0	111.6	Q781 R782 M783 T933	C770-Q781 WeakPolarHBondContact SG-CG 3.5Å; C770-Q781 PolarHBondContact SG-NE2 3.07Å; C770-R782 WeakPolarHBondContact CA-O 3.11Å; C770-M783 HydrophobicContact CB-SD 3.93Å; C770-T933 PolarHBondContact N-O 2.79Å
771	L	95.8	Very high	92.7	Very high	2 Å²	2	51 Å²	51	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	165.1	171.8	-64	173.9	0	0	0	110.4	R782 F784 F837 V848 A850 W859	L771-R782 PolarHBondContact N-O 2.77Å; L771-R782 PolarHBondContact O-N 3.35Å; L771-R782 VanDerWaalsContact O-O 3.06Å; L771-F784 HydrophobicContact CB-CD2 3.68Å; L771-F784 HydrophobicContact CB-CE2 3.68Å; L771-F784 HydrophobicContact CD1-CD2 4.16Å; L771-F784 HydrophobicContact CD1-CE2 4.47Å; L771-F784 HydrophobicContact CD1-CG 4.28Å; L771-F784 HydrophobicContact CG-CD2 4.22Å; L771-F837 HydrophobicContact CD1-CZ 4.25Å; L771-V848 HydrophobicContact CD1-CG2 4.45Å; L771-A850 HydrophobicContact CD2-CB 3.81Å; L771-W859 HydrophobicContact CD1-CD2 3.84Å; L771-W859 HydrophobicContact CD1-CE3 4.28Å; L771-W859 HydrophobicContact CD1-CG 4.05Å; L771-W859 HydrophobicContact CD1-CZ2 4.45Å; L771-W859 HydrophobicContact CD2-CG 4.3Å; L771-W859 HydrophobicContact CG-CD2 4.43Å
772	Y	95.1	Very high	93.2	Very high	62 Å²	62	45.3 Å²	45.3	24%	0.243	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	107.9	175.7	-63.6	-87.1	0	0	0	110.3	Q780 Q781 V848 A849 N932	Y772-Q780 CarbonylContact C-O 3.42Å; Y772-Q780 WeakPolarHBondContact CA-O 3.39Å; Y772-Q781 HydrophobicContact CD1-CB 4.06Å; Y772-Q781 HydrophobicContact CE1-CB 3.87Å; Y772-Q781 HydrophobicContact CE1-CG 4.09Å; Y772-V848 CarbonylContact O-C 3.52Å; Y772-V848 WeakPolarHBondContact O-CA 3.46Å; Y772-A849 PolarHBondContact N-O 2.9Å; Y772-A849 PolarHBondContact O-N 3.47Å; Y772-N932 VanDerWaalsContact OH-CG 3.31Å; Y772-N932 PolarHBondContact OH-ND2 3.29Å; Y772-N932 VanDerWaalsContact OH-ND2 3.09Å; Y772-N932 PolarHBondContact OH-OD1 3.11Å
773	K	94.3	Very high	93.7	Very high	33 Å²	33	42 Å²	42	14%	0.143	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.7	171.5	-179.1	178.4	174	-177.7	0	109.3	Q780 R782 F784 Y793 I846	K773-Q780 PolarHBondContact N-O 3.36Å; K773-Q780 PolarHBondContact O-N 2.78Å; K773-R782 HydrophobicContact CB-CG 4.19Å; K773-F784 HydrophobicContact CB-CZ 4.38Å; K773-Y793 HydrophobicContact CD-CD2 4.34Å; K773-Y793 HydrophobicContact CD-CE2 3.77Å; K773-Y793 PolarHBondContact NZ-OH 3.34Å; K773-I846 HydrophobicContact CD-CG2 4.47Å
774	L	90.1	Very high	93.8	Very high	42 Å²	42	40.4 Å²	40.4	22%	0.22	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	138.4	171.3	-168.9	62.4	0	0	0	110.4	L779 W831 V847	L774-L779 HydrophobicContact CB-CD2 4.2Å; L774-L779 HydrophobicContact CD1-CD2 3.79Å; L774-L779 HydrophobicContact CD1-CG 4.15Å; L774-W831 HydrophobicContact CD1-CZ3 4.33Å; L774-W831 HydrophobicContact CD2-CZ3 4.47Å; L774-V847 HydrophobicContact CB-CB 3.95Å; L774-V847 HydrophobicContact CB-CG1 4.34Å; L774-V847 HydrophobicContact CD2-CB 4.06Å; L774-V847 HydrophobicContact CD2-CG1 4.13Å; L774-V847 HydrophobicContact CD2-CG2 4.46Å; L774-V847 PolarHBondContact N-O 3.12Å
775	T	88.8	Confident	93.9	Very high	31 Å²	31	35.2 Å²	35.2	19%	0.19	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	168.3	178.8	71.3	0	0	0	0	109.7	K777 G778 Q780	T775-K777 PolarHBondContact O-N 3.39Å; T775-K777 VanDerWaalsContact O-N 3.1Å; T775-K777 PolarHBondContact OG1-N 2.7Å; T775-G778 PolarHBondContact N-O 3.37Å; T775-G778 PolarHBondContact O-N 3.1Å; T775-G778 PolarHBondContact OG1-O 3.17Å; T775-Q780 HydrophobicContact CG2-CB 4.46Å; T775-Q780 HydrophobicContact CG2-CG 3.97Å; T775-Q780 PolarHBondContact OG1-NE2 3.48Å
776	K	85.3	Confident	93.9	Very high	172 Å²	172	35 Å²	35	75%	0.748	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-28.2	171.2	-58	-171.8	-165.3	167.5	0	112.9	G778 E901	K776-G778 VanDerWaalsContact C-N 3.29Å; K776-G778 PolarHBondContact O-N 3.29Å; K776-E901 VanDerWaalsContact CD-OE2 3.25Å; K776-E901 WeakPolarHBondContact CD-OE2 3.47Å; K776-E901 WeakPolarHBondContact CE-OE2 3.25Å; K776-E901 IonicContact NZ-OE2 2.76Å; K776-E901 PolarHBondContact NZ-OE2 2.65Å
777	K	86.5	Confident	93.9	Very high	133 Å²	133	33.4 Å²	33.4	58%	0.578	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	30.7	176.9	-58.1	-175.3	178.1	-177.5	0	112.2	T775 E903	T775-K777 PolarHBondContact O-N 3.39Å; T775-K777 VanDerWaalsContact O-N 3.1Å; T775-K777 PolarHBondContact OG1-N 2.7Å; K777-E903 IonicContact NZ-OE1 3.62Å; K777-E903 PolarHBondContact NZ-OE1 3.46Å
778	G	87.7	Confident	93.8	Very high	30 Å²	30	34.9 Å²	34.9	31%	0.309	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.4	-166.6	-179.9	0	0	0	0	0	114.8	T775 K776	T775-G778 PolarHBondContact N-O 3.37Å; T775-G778 PolarHBondContact O-N 3.1Å; T775-G778 PolarHBondContact OG1-O 3.17Å; K776-G778 VanDerWaalsContact C-N 3.29Å; K776-G778 PolarHBondContact O-N 3.29Å
779	L	89.1	Confident	93.6	Very high	80 Å²	80	37.7 Å²	37.7	42%	0.419	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.2	175.5	-72.9	175.4	0	0	0	111.2	L774 V833 A849	L774-L779 HydrophobicContact CB-CD2 4.2Å; L774-L779 HydrophobicContact CD1-CD2 3.79Å; L774-L779 HydrophobicContact CD1-CG 4.15Å; L779-V833 HydrophobicContact CD1-CG1 3.96Å; L779-V833 HydrophobicContact CD2-CG1 4.27Å; L779-A849 HydrophobicContact CD2-CB 4.15Å
780	Q	92.8	Very high	93.5	Very high	39 Å²	39	38.9 Å²	38.9	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.3	175.9	-53.4	-171.8	22.5	0	0	112.2	Y772 K773 T775 R782	Y772-Q780 CarbonylContact C-O 3.42Å; Y772-Q780 WeakPolarHBondContact CA-O 3.39Å; K773-Q780 PolarHBondContact N-O 3.36Å; K773-Q780 PolarHBondContact O-N 2.78Å; T775-Q780 HydrophobicContact CG2-CB 4.46Å; T775-Q780 HydrophobicContact CG2-CG 3.97Å; T775-Q780 PolarHBondContact OG1-NE2 3.48Å; Q780-R782 PolarHBondContact O-N 3.43Å
781	Q	94.7	Very high	93.6	Very high	53 Å²	53	38.8 Å²	38.8	25%	0.248	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	135.2	173.1	-159.8	-172.3	-11.5	0	0	111.5	C770 Y772 W929 N932	C770-Q781 WeakPolarHBondContact SG-CG 3.5Å; C770-Q781 PolarHBondContact SG-NE2 3.07Å; Y772-Q781 HydrophobicContact CD1-CB 4.06Å; Y772-Q781 HydrophobicContact CE1-CB 3.87Å; Y772-Q781 HydrophobicContact CE1-CG 4.09Å; Q781-W929 HydrophobicContact CB-CH2 3.95Å; Q781-W929 HydrophobicContact CB-CZ3 4.09Å; Q781-W929 HydrophobicContact CG-CE3 4.11Å; Q781-W929 HydrophobicContact CG-CH2 3.8Å; Q781-W929 HydrophobicContact CG-CZ3 3.55Å; Q781-W929 PolarHBondContact NE2-O 3.18Å; Q781-N932 PolarHBondContact NE2-OD1 3.36Å
782	R	96.3	Very high	93.6	Very high	21 Å²	21	38.8 Å²	38.8	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.4	175	-67.7	-57.7	-167.8	-83.7	-3.3	110.5	C770 L771 K773 Q780 F784 T794 S795	C770-R782 WeakPolarHBondContact CA-O 3.11Å; L771-R782 PolarHBondContact N-O 2.77Å; L771-R782 PolarHBondContact O-N 3.35Å; L771-R782 VanDerWaalsContact O-O 3.06Å; K773-R782 HydrophobicContact CB-CG 4.19Å; Q780-R782 PolarHBondContact O-N 3.43Å; R782-F784 HydrophobicContact CB-CD2 4.18Å; R782-F784 HydrophobicContact CB-CE2 3.72Å; R782-T794 WeakPolarHBondContact CD-O 3.45Å; R782-T794 PolarHBondContact NE-O 3.02Å; R782-T794 VanDerWaalsContact NE-O 3.09Å; R782-S795 VanDerWaalsContact CD-C 3.49Å; R782-S795 WeakPolarHBondContact CD-O 3.44Å; R782-S795 VanDerWaalsContact NE-C 3.3Å; R782-S795 PolarHBondContact NE-O 3.21Å
783	M	97.3	Very high	93.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	143.1	161.8	-71	-58.9	-67	0	0	109.6	G769 C770 F785 Y793 T794 F804 M925 C928 W929	G769-M783 CarbonylContact O-C 3.58Å; G769-M783 WeakPolarHBondContact O-CA 3.36Å; G769-M783 WeakPolarHBondContact O-CE 3.28Å; C770-M783 HydrophobicContact CB-SD 3.93Å; M783-F785 HydrophobicContact CB-CE2 3.68Å; M783-F785 HydrophobicContact CB-CZ 3.81Å; M783-F785 HydrophobicContact CE-CE1 4.25Å; M783-F785 HydrophobicContact CE-CZ 4.08Å; M783-F785 HydrophobicContact CG-CZ 4.4Å; M783-Y793 VanDerWaalsContact O-CA 3.32Å; M783-Y793 WeakPolarHBondContact O-CA 3.25Å; M783-T794 HydrophobicContact CB-CG2 3.74Å; M783-T794 PolarHBondContact N-OG1 3.42Å; M783-T794 VanDerWaalsContact N-OG1 3.11Å; M783-T794 PolarHBondContact O-N 3.4Å; M783-F804 HydrophobicContact CB-CD1 4.34Å; M783-F804 HydrophobicContact CB-CE1 4.49Å; M783-F804 HydrophobicContact CG-CD1 3.79Å; M783-F804 HydrophobicContact CG-CE1 3.49Å; M783-F804 VanDerWaalsContact CG-CE1 3.49Å; M783-F804 HydrophobicContact CG-CZ 4.06Å; M783-M925 HydrophobicContact CE-CG 3.88Å; M783-C928 HydrophobicContact CE-CB 4.02Å; M783-W929 HydrophobicContact CG-CB 4.35Å; M783-W929 HydrophobicContact CG-CD2 4.5Å; M783-W929 HydrophobicContact CG-CE3 3.77Å; M783-W929 HydrophobicContact SD-CB 3.77Å; M783-W929 HydrophobicContact SD-CE3 4Å
784	F	97.9	Very high	93.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.1	174	-74.7	-101.3	0	0	0	109	G769 L771 K773 R782 L791 L792 Y793 I846 V848 W859	G769-F784 PolarHBondContact N-O 2.99Å; G769-F784 PolarHBondContact O-N 2.66Å; L771-F784 HydrophobicContact CB-CD2 3.68Å; L771-F784 HydrophobicContact CB-CE2 3.68Å; L771-F784 HydrophobicContact CD1-CD2 4.16Å; L771-F784 HydrophobicContact CD1-CE2 4.47Å; L771-F784 HydrophobicContact CD1-CG 4.28Å; L771-F784 HydrophobicContact CG-CD2 4.22Å; K773-F784 HydrophobicContact CB-CZ 4.38Å; R782-F784 HydrophobicContact CB-CD2 4.18Å; R782-F784 HydrophobicContact CB-CE2 3.72Å; F784-L791 HydrophobicContact CB-CD1 4.34Å; F784-L791 HydrophobicContact CD1-CD1 4.13Å; F784-L791 HydrophobicContact CD1-CD2 4.22Å; F784-L791 HydrophobicContact CD1-CG 4.24Å; F784-L792 CarbonylContact C-O 3.53Å; F784-L792 WeakPolarHBondContact CA-O 3.23Å; F784-Y793 HydrophobicContact CD1-CG 4.4Å; F784-Y793 HydrophobicContact CE1-CD1 4.34Å; F784-Y793 AromaticContact CE1-CG 3.96Å; F784-Y793 HydrophobicContact CE1-CG 3.96Å; F784-Y793 HydrophobicContact CZ-CG 4.35Å; F784-I846 HydrophobicContact CE1-CD1 3.87Å; F784-I846 HydrophobicContact CZ-CD1 4.32Å; F784-V848 HydrophobicContact CE1-CG1 4.01Å; F784-V848 HydrophobicContact CE2-CG1 4.35Å; F784-V848 HydrophobicContact CZ-CG1 3.55Å; F784-W859 HydrophobicContact CB-CH2 3.61Å; F784-W859 HydrophobicContact CB-CZ2 4.2Å; F784-W859 HydrophobicContact CB-CZ3 4.1Å
785	F	98	Very high	93.9	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	113.2	179	-53.9	-88.3	0	0	0	109	L748 L752 R767 E768 M783 F787 L792 T794 M925	L748-F785 HydrophobicContact CD2-CD1 3.95Å; L748-F785 HydrophobicContact CD2-CE1 3.83Å; L752-F785 HydrophobicContact CD1-CD2 4.28Å; L752-F785 HydrophobicContact CD1-CE2 4.34Å; L752-F785 HydrophobicContact CD2-CD2 4.38Å; L752-F785 HydrophobicContact CD2-CE2 3.66Å; L752-F785 HydrophobicContact CD2-CZ 3.83Å; R767-F785 CarbonylContact O-C 3.46Å; R767-F785 WeakPolarHBondContact O-CA 3.43Å; E768-F785 HydrophobicContact CB-CD1 3.57Å; E768-F785 HydrophobicContact CB-CE1 3.72Å; M783-F785 HydrophobicContact CB-CE2 3.68Å; M783-F785 HydrophobicContact CB-CZ 3.81Å; M783-F785 HydrophobicContact CE-CE1 4.25Å; M783-F785 HydrophobicContact CE-CZ 4.08Å; M783-F785 HydrophobicContact CG-CZ 4.4Å; F785-F787 HydrophobicContact CB-CD2 4.49Å; F785-F787 HydrophobicContact CB-CE2 3.53Å; F785-F787 HydrophobicContact CB-CZ 3.78Å; F785-L792 HydrophobicContact CB-CB 4.33Å; F785-L792 PolarHBondContact N-O 2.67Å; F785-L792 PolarHBondContact O-N 3.21Å; F785-T794 HydrophobicContact CE2-CG2 3.86Å; F785-M925 HydrophobicContact CE1-CE 3.72Å; F785-M925 HydrophobicContact CE1-CG 3.94Å; F785-M925 HydrophobicContact CE1-SD 4.14Å; F785-M925 HydrophobicContact CZ-CE 3.79Å; F785-M925 HydrophobicContact CZ-CG 3.83Å; F785-M925 HydrophobicContact CZ-SD 3.72Å
786	L	98.1	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.3	177.1	-179.3	59.6	0	0	0	109.9	I766 R767 L791 L812 W859 D862 L863 A866	I766-L786 HydrophobicContact CB-CB 4.38Å; I766-L786 HydrophobicContact CB-CD2 4.2Å; I766-L786 HydrophobicContact CB-CG 3.99Å; I766-L786 WeakPolarHBondContact CB-O 3.48Å; I766-L786 HydrophobicContact CD1-CG 4.32Å; I766-L786 HydrophobicContact CG2-CD2 3.89Å; I766-L786 HydrophobicContact CG2-CG 4.25Å; I766-L786 PolarHBondContact N-O 3Å; R767-L786 HydrophobicContact CB-CB 4.39Å; R767-L786 PolarHBondContact N-O 3.21Å; R767-L786 PolarHBondContact O-N 2.82Å; L786-L791 HydrophobicContact CB-CD1 4.13Å; L786-L791 HydrophobicContact CD1-CB 4.39Å; L786-L791 HydrophobicContact CD1-CD1 4.35Å; L786-L812 HydrophobicContact CD1-CD1 3.92Å; L786-L812 HydrophobicContact CD1-CD2 3.88Å; L786-L812 HydrophobicContact CD1-CG 4.44Å; L786-W859 HydrophobicContact CB-CZ3 4.17Å; L786-D862 HydrophobicContact CD2-CB 3.99Å; L786-L863 HydrophobicContact CD1-CD2 3.59Å; L786-L863 HydrophobicContact CD2-CD2 3.85Å; L786-L863 HydrophobicContact CD2-CG 4.03Å; L786-L863 HydrophobicContact CG-CD2 4.28Å; L786-A866 HydrophobicContact CD1-CB 4.29Å; L786-A866 HydrophobicContact CD2-CB 4.27Å; L786-A866 HydrophobicContact CG-CB 4.48Å
787	F	97.7	Very high	93.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	171	173.3	-54.4	-85.7	0	0	0	109.7	L745 L748 L758 R763 E764 F765 F785 D789 M790 L792 L812	L745-F787 HydrophobicContact CD2-CD1 3.76Å; L745-F787 HydrophobicContact CD2-CE1 3.58Å; L748-F787 HydrophobicContact CD1-CE1 3.84Å; L748-F787 HydrophobicContact CD1-CZ 3.98Å; L758-F787 HydrophobicContact CD1-CE1 4.17Å; L758-F787 HydrophobicContact CD1-CE2 4.04Å; L758-F787 HydrophobicContact CD1-CZ 3.78Å; L758-F787 HydrophobicContact CD2-CE1 4.47Å; L758-F787 HydrophobicContact CD2-CZ 4.16Å; L758-F787 HydrophobicContact CG-CE1 4.49Å; L758-F787 HydrophobicContact CG-CZ 4.37Å; R763-F787 HydrophobicContact CG-CB 3.95Å; R763-F787 HydrophobicContact CG-CD1 4.24Å; R763-F787 HydrophobicContact CG-CG 4.35Å; E764-F787 CarbonylContact O-C 3.54Å; E764-F787 WeakPolarHBondContact O-CA 3.35Å; E764-F787 WeakPolarHBondContact O-CB 3.43Å; F765-F787 HydrophobicContact CB-CD1 4.35Å; F765-F787 HydrophobicContact CB-CE1 4.42Å; F765-F787 HydrophobicContact CD2-CD1 4.39Å; F765-F787 AromaticContact CD2-CE1 3.98Å; F765-F787 HydrophobicContact CD2-CE1 3.98Å; F785-F787 HydrophobicContact CB-CD2 4.49Å; F785-F787 HydrophobicContact CB-CE2 3.53Å; F785-F787 HydrophobicContact CB-CZ 3.78Å; F787-D789 PolarHBondContact O-N 3.43Å; F787-M790 HydrophobicContact CB-CG 4.4Å; F787-M790 HydrophobicContact CD2-CG 4.02Å; F787-M790 PolarHBondContact N-O 3.31Å; F787-L792 HydrophobicContact CD2-CG 4.34Å; F787-L792 HydrophobicContact CE2-CB 4.32Å; F787-L792 HydrophobicContact CE2-CD1 3.8Å; F787-L792 HydrophobicContact CE2-CG 3.89Å; F787-L812 WeakPolarHBondContact O-CD1 3.39Å
788	S	95.9	Very high	93.5	Very high	32 Å²	32	28.9 Å²	28.9	22%	0.224	16%	0.16	C	C	.	.	S	Bend	trans	-61.1	-21.7	178.4	54.7	0	0	0	0	115	G762 E764	G762-S788 PolarHBondContact O-OG 2.83Å; E764-S788 PolarHBondContact N-OG 2.91Å; E764-S788 PolarHBondContact O-N 3.26Å
789	D	93.4	Very high	93.3	Very high	58 Å²	58	29.8 Å²	29.8	31%	0.31	16%	0.16	S	C	.	.	S	Bend	trans	-113.8	-25.4	-178	63.5	-24.8	0	0	0	114.6	R763 F787 L812	R763-D789 WeakPolarHBondContact CD-OD1 3.49Å; R763-D789 IonicContact CZ-OD1 3.62Å; R763-D789 IonicContact CZ-OD2 2.75Å; R763-D789 VanDerWaalsContact CZ-OD2 3.26Å; R763-D789 VanDerWaalsContact NE-CG 3.32Å; R763-D789 IonicContact NE-OD1 2.82Å; R763-D789 PolarHBondContact NE-OD1 3.45Å; R763-D789 IonicContact NE-OD2 3.36Å; R763-D789 PolarHBondContact NE-OD2 3.47Å; R763-D789 IonicContact NH2-OD2 3.72Å; R763-D789 PolarHBondContact NH2-OD2 3.3Å; F787-D789 PolarHBondContact O-N 3.43Å; D789-L812 PolarHBondContact O-N 2.99Å
790	M	94.1	Very high	92.7	Very high	25 Å²	25	30.8 Å²	30.8	12%	0.123	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.1	-173.7	69.9	-178.6	72.8	0	0	115	R763 F787 L792 L810	R763-M790 VanDerWaalsContact NH2-CE 3.35Å; F787-M790 HydrophobicContact CB-CG 4.4Å; F787-M790 HydrophobicContact CD2-CG 4.02Å; F787-M790 PolarHBondContact N-O 3.31Å; M790-L792 HydrophobicContact CG-CD2 4.28Å; M790-L792 HydrophobicContact CG-CG 4.32Å; M790-L792 HydrophobicContact SD-CD1 4.45Å; M790-L792 HydrophobicContact SD-CD2 3.52Å; M790-L792 VanDerWaalsContact SD-CD2 3.52Å; M790-L792 HydrophobicContact SD-CG 3.93Å; M790-L810 WeakPolarHBondContact CA-O 3.49Å
791	L	96.9	Very high	92	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113	164	179.6	65.1	0	0	0	109.8	F784 L786 L810 L812 M815 I839 W859 L863	F784-L791 HydrophobicContact CB-CD1 4.34Å; F784-L791 HydrophobicContact CD1-CD1 4.13Å; F784-L791 HydrophobicContact CD1-CD2 4.22Å; F784-L791 HydrophobicContact CD1-CG 4.24Å; L786-L791 HydrophobicContact CB-CD1 4.13Å; L786-L791 HydrophobicContact CD1-CB 4.39Å; L786-L791 HydrophobicContact CD1-CD1 4.35Å; L791-L810 HydrophobicContact CB-CB 4.44Å; L791-L810 PolarHBondContact N-O 2.84Å; L791-L810 PolarHBondContact O-N 2.7Å; L791-L812 HydrophobicContact CB-CD2 4.3Å; L791-M815 HydrophobicContact CB-CE 4.27Å; L791-I839 HydrophobicContact CD2-CD1 3.61Å; L791-W859 HydrophobicContact CD1-CZ3 4.17Å; L791-L863 HydrophobicContact CD1-CD2 4.43Å; L791-L863 HydrophobicContact CD2-CD2 4.12Å
792	L	96.4	Very high	91.5	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	148.9	170.5	-62.8	-172.9	0	0	0	111.1	L752 I755 L758 F784 F785 F787 M790 Q809	L752-L792 HydrophobicContact CD1-CD1 4.47Å; I755-L792 HydrophobicContact CG1-CD1 4.21Å; L758-L792 HydrophobicContact CD1-CD1 3.86Å; F784-L792 CarbonylContact C-O 3.53Å; F784-L792 WeakPolarHBondContact CA-O 3.23Å; F785-L792 HydrophobicContact CB-CB 4.33Å; F785-L792 PolarHBondContact N-O 2.67Å; F785-L792 PolarHBondContact O-N 3.21Å; F787-L792 HydrophobicContact CD2-CG 4.34Å; F787-L792 HydrophobicContact CE2-CB 4.32Å; F787-L792 HydrophobicContact CE2-CD1 3.8Å; F787-L792 HydrophobicContact CE2-CG 3.89Å; M790-L792 HydrophobicContact CG-CD2 4.28Å; M790-L792 HydrophobicContact CG-CG 4.32Å; M790-L792 HydrophobicContact SD-CD1 4.45Å; M790-L792 HydrophobicContact SD-CD2 3.52Å; M790-L792 VanDerWaalsContact SD-CD2 3.52Å; M790-L792 HydrophobicContact SD-CG 3.93Å; L792-Q809 HydrophobicContact CD2-CB 3.34Å
793	Y	96.3	Very high	91.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	155.4	168.1	71.8	-85.4	0	0	0	113.7	K773 M783 F784 H807 G808 L810 I846	K773-Y793 HydrophobicContact CD-CD2 4.34Å; K773-Y793 HydrophobicContact CD-CE2 3.77Å; K773-Y793 PolarHBondContact NZ-OH 3.34Å; M783-Y793 VanDerWaalsContact O-CA 3.32Å; M783-Y793 WeakPolarHBondContact O-CA 3.25Å; F784-Y793 HydrophobicContact CD1-CG 4.4Å; F784-Y793 HydrophobicContact CE1-CD1 4.34Å; F784-Y793 AromaticContact CE1-CG 3.96Å; F784-Y793 HydrophobicContact CE1-CG 3.96Å; F784-Y793 HydrophobicContact CZ-CG 4.35Å; Y793-H807 HydrophobicContact CE2-CB 4.49Å; Y793-H807 AromaticContact CE2-CD2 3.43Å; Y793-H807 VanDerWaalsContact CE2-CD2 3.43Å; Y793-H807 WeakPolarHBondContact CE2-CD2 3.44Å; Y793-H807 AromaticContact CZ-CD2 3.87Å; Y793-H807 PolarHBondContact O-N 3.16Å; Y793-G808 PolarHBondContact N-O 2.82Å; Y793-G808 PolarHBondContact O-N 3.1Å; Y793-L810 HydrophobicContact CE1-CD1 4.25Å; Y793-L810 HydrophobicContact CE1-CG 4.23Å; Y793-I846 HydrophobicContact CD1-CD1 4.45Å; Y793-I846 HydrophobicContact CE1-CD1 4.26Å
794	T	96.6	Very high	90.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	174	-166.4	68.5	0	0	0	0	114.9	R782 M783 F785 F804 K805 H807	R782-T794 WeakPolarHBondContact CD-O 3.45Å; R782-T794 PolarHBondContact NE-O 3.02Å; R782-T794 VanDerWaalsContact NE-O 3.09Å; M783-T794 HydrophobicContact CB-CG2 3.74Å; M783-T794 PolarHBondContact N-OG1 3.42Å; M783-T794 VanDerWaalsContact N-OG1 3.11Å; M783-T794 PolarHBondContact O-N 3.4Å; F785-T794 HydrophobicContact CE2-CG2 3.86Å; T794-F804 HydrophobicContact CG2-CB 3.93Å; T794-F804 HydrophobicContact CG2-CD1 4.41Å; T794-K805 CarbonylContact C-O 3.52Å; T794-K805 WeakPolarHBondContact CA-O 3.37Å; T794-K805 WeakPolarHBondContact CB-O 3.39Å; T794-H807 VanDerWaalsContact O-CB 3.28Å; T794-H807 WeakPolarHBondContact O-CB 3.37Å
795	S	92.9	Very high	90.7	Very high	29 Å²	29	39 Å²	39	20%	0.203	22%	0.224	C	C	.	.			trans	-72.3	175.7	158.5	-62.8	0	0	0	0	110.8	R782 K805	R782-S795 VanDerWaalsContact CD-C 3.49Å; R782-S795 WeakPolarHBondContact CD-O 3.44Å; R782-S795 VanDerWaalsContact NE-C 3.3Å; R782-S795 PolarHBondContact NE-O 3.21Å; S795-K805 PolarHBondContact N-O 3.3Å; S795-K805 PolarHBondContact OG-O 3.39Å
796	K	85.9	Confident	90.6	Very high	161 Å²	161	39.9 Å²	39.9	70%	0.7	23%	0.229	S	C	*	.	S	Bend	trans	-73.6	127.7	177.4	-172.4	-177.5	176.4	-175	0	110.2
797	G	82	Confident	90.4	Very high	24 Å²	24	44.4 Å²	44.4	25%	0.247	25%	0.25	C	S	.	.	S	Bend	trans	80.6	-170.5	172.3	0	0	0	0	0	114.9
798	V	83	Confident	90.1	Very high	49 Å²	49	44.8 Å²	44.8	30%	0.297	25%	0.254	S	S	.	.			trans	-113.4	144.9	179.9	-162.8	0	0	0	0	108	Q803 F804	V798-Q803 WeakPolarHBondContact CG1-O 3.41Å; V798-F804 HydrophobicContact CG1-CD2 4.44Å; V798-F804 HydrophobicContact CG1-CE2 4.23Å; V798-F804 HydrophobicContact CG1-CZ 4.39Å; V798-F804 HydrophobicContact CG2-CD1 4.45Å; V798-F804 HydrophobicContact CG2-CE1 3.74Å; V798-F804 HydrophobicContact CG2-CE2 4.32Å; V798-F804 HydrophobicContact CG2-CZ 3.67Å
799	T	84.2	Confident	90	Very high	48 Å²	48	48 Å²	48	29%	0.294	27%	0.266	S	S	.	.			trans	-71.2	164.8	175.2	59	0	0	0	0	112.2	I753 T801 N802 Q803	I753-T799 HydrophobicContact CD1-CG2 3.96Å; T799-T801 PolarHBondContact O-N 3.06Å; T799-T801 VanDerWaalsContact O-N 3.09Å; T799-T801 PolarHBondContact OG1-OG1 2.84Å; T799-T801 VanDerWaalsContact OG1-OG1 3.06Å; T799-N802 PolarHBondContact O-N 3.33Å; T799-Q803 WeakPolarHBondContact CB-O 3.41Å; T799-Q803 WeakPolarHBondContact CG2-O 3.47Å; T799-Q803 PolarHBondContact N-O 3.44Å; T799-Q803 PolarHBondContact OG1-N 2.61Å; T799-Q803 PolarHBondContact OG1-O 3.45Å
800	A	77	Confident	90	Very high	102 Å²	102	45.3 Å²	45.3	84%	0.843	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.9	174.4	0	0	0	0	0	114.2
801	T	77.4	Confident	90	Very high	74 Å²	74	46.4 Å²	46.4	45%	0.454	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	7.3	175.2	53.2	0	0	0	0	113.9	T799 Q803	T799-T801 PolarHBondContact O-N 3.06Å; T799-T801 VanDerWaalsContact O-N 3.09Å; T799-T801 PolarHBondContact OG1-OG1 2.84Å; T799-T801 VanDerWaalsContact OG1-OG1 3.06Å; T801-Q803 PolarHBondContact OG1-OE1 3.09Å
802	N	83.4	Confident	89.7	Confident	43 Å²	43	46.4 Å²	46.4	23%	0.23	26%	0.26	C	S	.	.	S	Bend	trans	58.9	48.7	-174.1	-151.4	43.3	0	0	0	112.2	T799 N922 H926	T799-N802 PolarHBondContact O-N 3.33Å; N802-N922 PolarHBondContact ND2-OD1 3.47Å; N802-N922 VanDerWaalsContact ND2-OD1 3.12Å; N802-H926 PolarHBondContact ND2-NE2 2.8Å; N802-H926 PolarHBondContact O-NE2 2.76Å; N802-H926 VanDerWaalsContact O-NE2 3.15Å; N802-H926 PolarHBondContact OD1-CD2 2.91Å
803	Q	89	Confident	89.3	Confident	50 Å²	50	51.4 Å²	51.4	23%	0.234	28%	0.284	C	S	.	.			trans	-136	160.9	178.1	-69.6	172.1	-67.4	0	0	110.5	R750 D751 I753 V798 T799 T801	R750-Q803 PolarHBondContact O-NE2 3.05Å; D751-Q803 WeakPolarHBondContact O-CA 3.43Å; D751-Q803 WeakPolarHBondContact O-CB 3.43Å; I753-Q803 HydrophobicContact CD1-CB 3.59Å; I753-Q803 HydrophobicContact CD1-CG 4.43Å; I753-Q803 HydrophobicContact CG1-CB 4.02Å; V798-Q803 WeakPolarHBondContact CG1-O 3.41Å; T799-Q803 WeakPolarHBondContact CB-O 3.41Å; T799-Q803 WeakPolarHBondContact CG2-O 3.47Å; T799-Q803 PolarHBondContact N-O 3.44Å; T799-Q803 PolarHBondContact OG1-N 2.61Å; T799-Q803 PolarHBondContact OG1-O 3.45Å; T801-Q803 PolarHBondContact OG1-OE1 3.09Å
804	F	92.3	Very high	88.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124	-177.3	-67.7	-102.1	0	0	0	112.1	D751 L752 I753 M783 T794 V798 M925 H926 W929	D751-F804 PolarHBondContact O-N 3.35Å; L752-F804 WeakPolarHBondContact CA-O 3.28Å; L752-F804 HydrophobicContact CD2-CB 3.96Å; I753-F804 PolarHBondContact N-O 3.26Å; M783-F804 HydrophobicContact CB-CD1 4.34Å; M783-F804 HydrophobicContact CB-CE1 4.49Å; M783-F804 HydrophobicContact CG-CD1 3.79Å; M783-F804 HydrophobicContact CG-CE1 3.49Å; M783-F804 VanDerWaalsContact CG-CE1 3.49Å; M783-F804 HydrophobicContact CG-CZ 4.06Å; T794-F804 HydrophobicContact CG2-CB 3.93Å; T794-F804 HydrophobicContact CG2-CD1 4.41Å; V798-F804 HydrophobicContact CG1-CD2 4.44Å; V798-F804 HydrophobicContact CG1-CE2 4.23Å; V798-F804 HydrophobicContact CG1-CZ 4.39Å; V798-F804 HydrophobicContact CG2-CD1 4.45Å; V798-F804 HydrophobicContact CG2-CE1 3.74Å; V798-F804 HydrophobicContact CG2-CE2 4.32Å; V798-F804 HydrophobicContact CG2-CZ 3.67Å; F804-M925 HydrophobicContact CD2-CG 4.27Å; F804-M925 HydrophobicContact CD2-SD 3.28Å; F804-M925 WeakPolarHBondContact CD2-SD 3.2Å; F804-M925 HydrophobicContact CE2-CG 3.99Å; F804-M925 HydrophobicContact CE2-SD 3.57Å; F804-M925 VanDerWaalsContact CE2-SD 3.57Å; F804-M925 HydrophobicContact CG-SD 4.1Å; F804-H926 AromaticContact CE2-CD2 3.9Å; F804-H926 AromaticContact CE2-NE2 3.74Å; F804-W929 HydrophobicContact CE1-CB 4.21Å; F804-W929 AromaticContact CE1-CD2 3.78Å; F804-W929 HydrophobicContact CE1-CD2 3.78Å; F804-W929 AromaticContact CE1-CE3 3.97Å; F804-W929 HydrophobicContact CE1-CE3 3.97Å; F804-W929 AromaticContact CE1-CG 3.88Å; F804-W929 HydrophobicContact CE1-CG 3.88Å; F804-W929 HydrophobicContact CZ-CB 3.83Å; F804-W929 HydrophobicContact CZ-CD2 4.22Å; F804-W929 AromaticContact CZ-CG 3.81Å; F804-W929 HydrophobicContact CZ-CG 3.81Å
805	K	94.9	Very high	88.1	Confident	119 Å²	119	53.6 Å²	53.6	52%	0.517	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.2	175.1	-175.7	179.7	177.1	-178.2	0	110.6	I753 T794 S795	I753-K805 CarbonylContact O-C 3.51Å; I753-K805 WeakPolarHBondContact O-CA 3.33Å; T794-K805 CarbonylContact C-O 3.52Å; T794-K805 WeakPolarHBondContact CA-O 3.37Å; T794-K805 WeakPolarHBondContact CB-O 3.39Å; S795-K805 PolarHBondContact N-O 3.3Å; S795-K805 PolarHBondContact OG-O 3.39Å
806	V	95.6	Very high	87.7	Confident	19 Å²	19	57.2 Å²	57.2	12%	0.115	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	145.4	172.3	-179.3	0	0	0	0	110	L752 I753 I755	L752-V806 HydrophobicContact CB-CG2 4.26Å; L752-V806 HydrophobicContact CD1-CG2 4.43Å; I753-V806 PolarHBondContact O-N 3.39Å; I755-V806 HydrophobicContact CB-CG2 4.09Å; I755-V806 HydrophobicContact CG2-CG2 3.86Å
807	H	93.9	Very high	87.6	Confident	94 Å²	94	50.8 Å²	50.8	44%	0.435	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-27.7	178.2	176	93.5	0	0	0	112.5	Y793 T794	Y793-H807 HydrophobicContact CE2-CB 4.49Å; Y793-H807 AromaticContact CE2-CD2 3.43Å; Y793-H807 VanDerWaalsContact CE2-CD2 3.43Å; Y793-H807 WeakPolarHBondContact CE2-CD2 3.44Å; Y793-H807 AromaticContact CZ-CD2 3.87Å; Y793-H807 PolarHBondContact O-N 3.16Å; T794-H807 VanDerWaalsContact O-CB 3.28Å; T794-H807 WeakPolarHBondContact O-CB 3.37Å
808	G	90.8	Very high	87.4	Confident	9 Å²	9	52.7 Å²	52.7	9%	0.093	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	153.8	176.3	0	0	0	0	0	112.7	Y793	Y793-G808 PolarHBondContact N-O 2.82Å; Y793-G808 PolarHBondContact O-N 3.1Å
809	Q	93.4	Very high	86.9	Confident	100 Å²	100	53 Å²	53	47%	0.467	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.6	169.1	66	-167.4	16.3	0	0	108.3	L792	L792-Q809 HydrophobicContact CD2-CB 3.34Å
810	L	93.9	Very high	85.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	111.8	175.2	-58.5	176.4	0	0	0	107.6	M790 L791 Y793 M815 I839 R844 I846	M790-L810 WeakPolarHBondContact CA-O 3.49Å; L791-L810 HydrophobicContact CB-CB 4.44Å; L791-L810 PolarHBondContact N-O 2.84Å; L791-L810 PolarHBondContact O-N 2.7Å; Y793-L810 HydrophobicContact CE1-CD1 4.25Å; Y793-L810 HydrophobicContact CE1-CG 4.23Å; L810-M815 HydrophobicContact CB-CE 3.63Å; L810-M815 HydrophobicContact CD1-CE 4.4Å; L810-I839 HydrophobicContact CD1-CG2 4.38Å; L810-R844 HydrophobicContact CD2-CB 3.85Å; L810-R844 HydrophobicContact CD2-CG 4.4Å; L810-I846 HydrophobicContact CD1-CD1 3.72Å; L810-I846 HydrophobicContact CD1-CG1 4.09Å
811	P	93.3	Very high	84.4	Confident	48 Å²	48	58.4 Å²	58.4	31%	0.312	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	141.1	172.2	-22.9	34	0	0	0	110.8	H813 S841	P811-H813 VanDerWaalsContact C-N 3.31Å; P811-S841 PolarHBondContact O-OG 3.12Å
812	L	92.1	Very high	82.8	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	32%	0.322	C	S	.	.	S	Bend	trans	-75.3	-22.6	174.3	-61	-173.3	0	0	0	112.5	L786 F787 D789 L791 G814 M815 L863 A866 I867 A870	L786-L812 HydrophobicContact CD1-CD1 3.92Å; L786-L812 HydrophobicContact CD1-CD2 3.88Å; L786-L812 HydrophobicContact CD1-CG 4.44Å; F787-L812 WeakPolarHBondContact O-CD1 3.39Å; D789-L812 PolarHBondContact O-N 2.99Å; L791-L812 HydrophobicContact CB-CD2 4.3Å; L812-G814 PolarHBondContact O-N 3.4Å; L812-M815 HydrophobicContact CD2-CE 3.79Å; L812-M815 HydrophobicContact CD2-SD 3.64Å; L812-M815 VanDerWaalsContact O-CB 3.25Å; L812-M815 WeakPolarHBondContact O-CB 3.46Å; L812-M815 PolarHBondContact O-N 3.23Å; L812-L863 HydrophobicContact CD2-CD2 4.45Å; L812-A866 HydrophobicContact CD1-CB 3.51Å; L812-I867 HydrophobicContact CB-CG1 4.14Å; L812-I867 HydrophobicContact CD2-CG1 4.14Å; L812-A870 HydrophobicContact CB-CB 4.26Å
813	H	86.1	Confident	80.8	Confident	107 Å²	107	61.3 Å²	61.3	50%	0.495	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	128	170.5	179.8	84.4	0	0	0	110.5	P811 M815 Q874	P811-H813 VanDerWaalsContact C-N 3.31Å; H813-M815 PolarHBondContact O-N 3.23Å; H813-Q874 PolarHBondContact CE1-OE1 3.41Å; H813-Q874 PolarHBondContact ND1-OE1 3.01Å
814	G	79.8	Confident	78.6	Confident	44 Å²	44	66 Å²	66	45%	0.454	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	12.2	-175.8	0	0	0	0	0	114.4	L812	L812-G814 PolarHBondContact O-N 3.4Å
815	M	89.2	Confident	76.2	Confident	4 Å²	4	73.8 Å²	73.8	2%	0.02	41%	0.41	C	S	.	.			trans	-78.3	136.8	173.9	-172.9	177.8	-74.8	0	0	110.9	L791 L810 L812 H813 L817 I839 Y840 L863 I867	L791-M815 HydrophobicContact CB-CE 4.27Å; L810-M815 HydrophobicContact CB-CE 3.63Å; L810-M815 HydrophobicContact CD1-CE 4.4Å; L812-M815 HydrophobicContact CD2-CE 3.79Å; L812-M815 HydrophobicContact CD2-SD 3.64Å; L812-M815 VanDerWaalsContact O-CB 3.25Å; L812-M815 WeakPolarHBondContact O-CB 3.46Å; L812-M815 PolarHBondContact O-N 3.23Å; H813-M815 PolarHBondContact O-N 3.23Å; M815-L817 HydrophobicContact SD-CD2 4.4Å; M815-I839 HydrophobicContact CE-CG2 3.74Å; M815-I839 HydrophobicContact CG-CG2 3.85Å; M815-I839 HydrophobicContact SD-CG2 3.52Å; M815-I839 VanDerWaalsContact SD-CG2 3.52Å; M815-Y840 CarbonylContact C-O 3.49Å; M815-Y840 VanDerWaalsContact CA-O 3.24Å; M815-Y840 WeakPolarHBondContact CA-O 3.43Å; M815-Y840 WeakPolarHBondContact CG-O 3.43Å; M815-L863 HydrophobicContact SD-CD2 4.46Å; M815-I867 HydrophobicContact CB-CD1 3.92Å; M815-I867 HydrophobicContact CB-CG1 4.11Å; M815-I867 HydrophobicContact CG-CD1 3.74Å; M815-I867 HydrophobicContact CG-CG1 4.39Å; M815-I867 HydrophobicContact SD-CD1 3.78Å; M815-I867 HydrophobicContact SD-CG1 4.28Å
816	I	85.3	Confident	73.8	Confident	106 Å²	106	78 Å²	78	54%	0.544	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.4	175.5	-58.4	176.6	0	0	0	107.9	I818 Y840	I816-I818 HydrophobicContact CG2-CG1 4.32Å; I816-Y840 PolarHBondContact N-O 3.02Å; I816-Y840 PolarHBondContact O-N 2.96Å
817	L	83.4	Confident	71.1	Confident	25 Å²	25	80.9 Å²	80.9	13%	0.131	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.8	169.3	-51.8	-176	0	0	0	108.9	M815 I839 I860 L863 N864 I867	M815-L817 HydrophobicContact SD-CD2 4.4Å; L817-I839 HydrophobicContact CD2-CB 4.38Å; L817-I839 HydrophobicContact CD2-CG1 4Å; L817-I839 HydrophobicContact CD2-CG2 4.16Å; L817-I860 HydrophobicContact CD1-CG2 4.33Å; L817-L863 HydrophobicContact CD1-CB 3.58Å; L817-L863 HydrophobicContact CD1-CD1 4.23Å; L817-L863 HydrophobicContact CD2-CB 4.4Å; L817-L863 HydrophobicContact CD2-CD1 4.13Å; L817-N864 VanDerWaalsContact CD1-OD1 3.27Å; L817-N864 WeakPolarHBondContact CD1-OD1 3.11Å; L817-I867 HydrophobicContact CD2-CD1 4.26Å; L817-I867 HydrophobicContact CG-CD1 4.11Å
818	I	77.7	Confident	68.6	Low	64 Å²	64	86 Å²	86	33%	0.328	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.5	165.7	-57.2	-172	0	0	0	107.8	I816 L820 T838 Y840	I816-I818 HydrophobicContact CG2-CG1 4.32Å; I818-L820 HydrophobicContact CG2-CD2 3.87Å; I818-L820 HydrophobicContact CG2-CG 4.21Å; I818-T838 PolarHBondContact N-O 3.26Å; I818-T838 PolarHBondContact O-N 2.88Å; I818-Y840 HydrophobicContact CB-CD2 4.48Å; I818-Y840 HydrophobicContact CB-CE2 3.94Å; I818-Y840 HydrophobicContact CD1-CD2 4.07Å; I818-Y840 HydrophobicContact CD1-CE2 3.5Å; I818-Y840 HydrophobicContact CG1-CD2 3.95Å; I818-Y840 HydrophobicContact CG1-CE2 3.66Å
819	V	73.1	Confident	66.1	Low	55 Å²	55	92.2 Å²	92.2	33%	0.333	51%	0.507	S	S	.	.			trans	-86.4	112.3	163.2	-173.1	0	0	0	0	105.9	D821 F837 M856 I860	V819-D821 PolarHBondContact O-N 2.94Å; V819-F837 HydrophobicContact CG2-CB 4.37Å; V819-M856 HydrophobicContact CG1-CE 4.45Å; V819-I860 HydrophobicContact CG2-CD1 3.63Å; V819-I860 HydrophobicContact CG2-CG1 4.3Å; V819-I860 HydrophobicContact CG2-CG2 4.39Å
820	L	58.7	Low	63.9	Low	117 Å²	117	95.4 Å²	95.4	61%	0.613	52%	0.522	S	S	*	.			trans	-82.4	107.3	165.1	-64.6	176.4	0	0	0	106.2	I818 A822	I818-L820 HydrophobicContact CG2-CD2 3.87Å; I818-L820 HydrophobicContact CG2-CG 4.21Å; L820-A822 PolarHBondContact O-N 2.92Å
821	D	48.4	Very low	61.6	Low	148 Å²	148	104.3 Å²	104.3	79%	0.791	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-58	130.2	166.5	-81.1	-49.5	0	0	0	108.3	V819	V819-D821 PolarHBondContact O-N 2.94Å
822	A	45.2	Very low	59.9	Low	77 Å²	77	106.7 Å²	106.7	64%	0.636	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-62.1	129.7	178.7	0	0	0	0	0	108.7	L820 V824	L820-A822 PolarHBondContact O-N 2.92Å; A822-V824 PolarHBondContact O-N 2.86Å
823	P	41.4	Very low	58.7	Low	101 Å²	101	108 Å²	108	66%	0.656	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-57.9	131.8	179.4	23.8	-33	0	0	0	109.5	E825	P823-E825 PolarHBondContact O-N 3.46Å
824	V	42	Very low	58.3	Low	147 Å²	147	107.5 Å²	107.5	89%	0.891	59%	0.588	S	S	*	*			trans	-79.5	-5.5	-176.7	178.3	0	0	0	0	111.5	A822	A822-V824 PolarHBondContact O-N 2.86Å
825	E	41.3	Very low	58.7	Low	165 Å²	165	109 Å²	109	77%	0.771	58%	0.583	S	S	*	*	S	Bend	trans	-101.6	135	-173.9	-61.8	-171.4	155.6	0	0	112.8	P823 S827	P823-E825 PolarHBondContact O-N 3.46Å; E825-S827 PolarHBondContact O-N 3.04Å
826	E	44.4	Very low	58.7	Low	208 Å²	208	110 Å²	110	97%	0.972	59%	0.59	S	S	*	*			trans	-65.3	101.4	-179.1	-61	177.8	137.9	0	0	110.8
827	S	39.3	Very low	58.9	Low	78 Å²	78	105 Å²	105	55%	0.545	57%	0.565	S	S	.	*			trans	-142.2	130.9	172.2	53.1	0	0	0	0	110.4	E825 N829	E825-S827 PolarHBondContact O-N 3.04Å; S827-N829 PolarHBondContact O-N 3.5Å
828	E	42.8	Very low	59.2	Low	202 Å²	202	104.4 Å²	104.4	94%	0.944	56%	0.562	S	S	*	*			trans	-78.2	29	-170.1	-59.8	-171.5	119.8	0	0	114.2
829	N	36.9	Very low	59.9	Low	140 Å²	140	101.4 Å²	101.4	75%	0.749	55%	0.546	S	S	*	.			trans	-84	130.4	175.7	-78.1	-18.3	0	0	0	110.9	S827	S827-N829 PolarHBondContact O-N 3.5Å
830	E	47	Very low	60.6	Low	167 Å²	167	103.4 Å²	103.4	78%	0.78	55%	0.549	S	S	*	.	S	Bend	trans	-61.2	167.1	-177.9	-59.4	179.6	124.6	0	0	113.4
831	W	46.5	Very low	61.9	Low	187 Å²	187	98.3 Å²	98.3	71%	0.708	52%	0.523	S	S	*	.			trans	83.1	17.4	169.8	-54.5	82.1	0	0	0	119.4	L774 V833	L774-W831 HydrophobicContact CD1-CZ3 4.33Å; L774-W831 HydrophobicContact CD2-CZ3 4.47Å; W831-V833 VanDerWaalsContact C-N 3.25Å; W831-V833 PolarHBondContact O-N 2.97Å
832	S	58.1	Low	63.3	Low	97 Å²	97	95.6 Å²	95.6	68%	0.678	52%	0.521	S	S	*	.			trans	-71.9	72.5	166.1	51.9	0	0	0	0	112.8	P834	S832-P834 WeakPolarHBondContact O-CD 3.33Å
833	V	67.1	Low	64.8	Low	30 Å²	30	98.4 Å²	98.4	18%	0.182	52%	0.521	C	S	.	.			trans	-65.5	118.9	178.1	179	0	0	0	0	110.2	L779 W831 H835 C836 A849	L779-V833 HydrophobicContact CD1-CG1 3.96Å; L779-V833 HydrophobicContact CD2-CG1 4.27Å; W831-V833 VanDerWaalsContact C-N 3.25Å; W831-V833 PolarHBondContact O-N 2.97Å; V833-H835 PolarHBondContact O-N 3.36Å; V833-C836 HydrophobicContact CB-CB 4.13Å; V833-C836 HydrophobicContact CG1-CB 3.99Å; V833-C836 PolarHBondContact O-SG 2.8Å; V833-A849 HydrophobicContact CG1-CB 3.86Å
834	P	77	Confident	66.9	Low	95 Å²	95	99.3 Å²	99.3	62%	0.617	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	138.9	-178.2	27.2	-34.3	0	0	0	111.4	S832 C836	S832-P834 WeakPolarHBondContact O-CD 3.33Å; P834-C836 VanDerWaalsContact C-N 3.31Å; P834-C836 PolarHBondContact O-N 3.22Å
835	H	87.7	Confident	69.1	Low	76 Å²	76	96.2 Å²	96.2	35%	0.352	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	34.1	176.8	-44.1	-37.9	0	0	0	114.5	V833 A849 A850 S852 K853 M856	V833-H835 PolarHBondContact O-N 3.36Å; H835-A849 WeakPolarHBondContact O-CA 3.45Å; H835-A850 PolarHBondContact O-N 2.69Å; H835-S852 VanDerWaalsContact CD2-C 3.46Å; H835-S852 VanDerWaalsContact CD2-CA 3.47Å; H835-S852 WeakPolarHBondContact CD2-CA 3.17Å; H835-K853 PolarHBondContact CD2-N 3.16Å; H835-K853 PolarHBondContact NE2-N 2.94Å; H835-M856 VanDerWaalsContact CA-SD 3.51Å; H835-M856 HydrophobicContact CB-CB 4.39Å; H835-M856 HydrophobicContact CB-CG 4.49Å; H835-M856 HydrophobicContact CB-SD 4.02Å
836	C	88.6	Confident	71.5	Confident	26 Å²	26	88.7 Å²	88.7	18%	0.176	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	152.4	173.7	73.1	0	0	0	0	114.2	V833 P834 V847 V848 A849	V833-C836 HydrophobicContact CB-CB 4.13Å; V833-C836 HydrophobicContact CG1-CB 3.99Å; V833-C836 PolarHBondContact O-SG 2.8Å; P834-C836 VanDerWaalsContact C-N 3.31Å; P834-C836 PolarHBondContact O-N 3.22Å; C836-V847 HydrophobicContact CB-CG1 4.28Å; C836-V848 CarbonylContact C-O 3.54Å; C836-V848 WeakPolarHBondContact CA-O 3.42Å; C836-V848 WeakPolarHBondContact CB-O 3.48Å; C836-A849 HydrophobicContact CB-CB 4.11Å
837	F	90.4	Very high	73.7	Confident	1 Å²	1	80.9 Å²	80.9	0%	0.004	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.2	166.6	59.9	-81.5	0	0	0	109.7	L771 V819 I839 V848 M856 W859 I860 L863	L771-F837 HydrophobicContact CD1-CZ 4.25Å; V819-F837 HydrophobicContact CG2-CB 4.37Å; F837-I839 HydrophobicContact CD2-CG1 4.04Å; F837-I839 HydrophobicContact CE2-CD1 3.92Å; F837-I839 HydrophobicContact CE2-CG1 3.87Å; F837-V848 HydrophobicContact CD1-CG2 4.09Å; F837-V848 HydrophobicContact CD2-CG2 3.83Å; F837-V848 HydrophobicContact CE1-CG2 3.78Å; F837-V848 HydrophobicContact CE2-CG2 3.5Å; F837-V848 HydrophobicContact CG-CG2 4.12Å; F837-V848 HydrophobicContact CZ-CG2 3.48Å; F837-V848 VanDerWaalsContact CZ-CG2 3.48Å; F837-V848 PolarHBondContact N-O 3.43Å; F837-V848 WeakPolarHBondContact O-CG2 3.5Å; F837-V848 PolarHBondContact O-N 3.04Å; F837-V848 VanDerWaalsContact O-O 3.12Å; F837-M856 HydrophobicContact CD1-CG 3.79Å; F837-M856 HydrophobicContact CE1-CG 4.17Å; F837-W859 HydrophobicContact CE1-CB 4.32Å; F837-W859 HydrophobicContact CZ-CB 3.89Å; F837-I860 HydrophobicContact CB-CD1 4.31Å; F837-I860 HydrophobicContact CD1-CD1 4.16Å; F837-I860 HydrophobicContact CD1-CG1 4.16Å; F837-I860 HydrophobicContact CD2-CG1 4.19Å; F837-I860 HydrophobicContact CE1-CG1 4.38Å; F837-I860 HydrophobicContact CE2-CG1 4.4Å; F837-I860 HydrophobicContact CG-CD1 4.2Å; F837-I860 HydrophobicContact CG-CG1 4.06Å; F837-I860 HydrophobicContact CZ-CG1 4.49Å; F837-L863 HydrophobicContact CE2-CD1 3.79Å; F837-L863 HydrophobicContact CZ-CD1 4.27Å
838	T	90	Very high	76.3	Confident	11 Å²	11	77.2 Å²	77.2	7%	0.067	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.6	-177.2	-52.8	0	0	0	0	110.2	I818 Y840 T845 V847	I818-T838 PolarHBondContact N-O 3.26Å; I818-T838 PolarHBondContact O-N 2.88Å; T838-Y840 HydrophobicContact CG2-CD2 3.84Å; T838-Y840 HydrophobicContact CG2-CE2 3.26Å; T838-T845 HydrophobicContact CG2-CG2 3.53Å; T838-V847 HydrophobicContact CG2-CG2 4Å
839	I	92.1	Very high	78.7	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.9	176.2	-52	179.3	0	0	0	107.6	L791 L810 M815 L817 F837 T845 I846 V848 L863	L791-I839 HydrophobicContact CD2-CD1 3.61Å; L810-I839 HydrophobicContact CD1-CG2 4.38Å; M815-I839 HydrophobicContact CE-CG2 3.74Å; M815-I839 HydrophobicContact CG-CG2 3.85Å; M815-I839 HydrophobicContact SD-CG2 3.52Å; M815-I839 VanDerWaalsContact SD-CG2 3.52Å; L817-I839 HydrophobicContact CD2-CB 4.38Å; L817-I839 HydrophobicContact CD2-CG1 4Å; L817-I839 HydrophobicContact CD2-CG2 4.16Å; F837-I839 HydrophobicContact CD2-CG1 4.04Å; F837-I839 HydrophobicContact CE2-CD1 3.92Å; F837-I839 HydrophobicContact CE2-CG1 3.87Å; I839-T845 CarbonylContact O-C 3.58Å; I839-T845 WeakPolarHBondContact O-CA 3.24Å; I839-I846 HydrophobicContact CB-CG1 3.95Å; I839-I846 HydrophobicContact CD1-CD1 4.37Å; I839-I846 HydrophobicContact CD1-CG1 4.42Å; I839-I846 HydrophobicContact CG1-CG1 4.5Å; I839-I846 PolarHBondContact N-O 2.95Å; I839-I846 PolarHBondContact O-N 3.46Å; I839-V848 HydrophobicContact CD1-CG2 3.93Å; I839-V848 HydrophobicContact CG1-CG2 4.15Å; I839-L863 HydrophobicContact CD1-CD1 4.25Å
840	Y	88.4	Confident	81.4	Confident	97 Å²	97	61.5 Å²	61.5	38%	0.38	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.9	169.7	-63.7	-101.8	0	0	0	107.8	M815 I816 I818 T838 T845	M815-Y840 CarbonylContact C-O 3.49Å; M815-Y840 VanDerWaalsContact CA-O 3.24Å; M815-Y840 WeakPolarHBondContact CA-O 3.43Å; M815-Y840 WeakPolarHBondContact CG-O 3.43Å; I816-Y840 PolarHBondContact N-O 3.02Å; I816-Y840 PolarHBondContact O-N 2.96Å; I818-Y840 HydrophobicContact CB-CD2 4.48Å; I818-Y840 HydrophobicContact CB-CE2 3.94Å; I818-Y840 HydrophobicContact CD1-CD2 4.07Å; I818-Y840 HydrophobicContact CD1-CE2 3.5Å; I818-Y840 HydrophobicContact CG1-CD2 3.95Å; I818-Y840 HydrophobicContact CG1-CE2 3.66Å; T838-Y840 HydrophobicContact CG2-CD2 3.84Å; T838-Y840 HydrophobicContact CG2-CE2 3.26Å; Y840-T845 HydrophobicContact CD1-CG2 3.62Å; Y840-T845 WeakPolarHBondContact CD1-OG1 3.48Å; Y840-T845 HydrophobicContact CD2-CG2 4.38Å; Y840-T845 HydrophobicContact CE1-CG2 3.62Å; Y840-T845 HydrophobicContact CE2-CG2 4.36Å; Y840-T845 HydrophobicContact CG-CG2 4.01Å
841	S	85.8	Confident	83.5	Confident	11 Å²	11	56.2 Å²	56.2	8%	0.077	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.5	167.6	178.9	0	0	0	0	108.1	P811 Q843 R844	P811-S841 PolarHBondContact O-OG 3.12Å; S841-Q843 PolarHBondContact O-N 3.45Å; S841-R844 PolarHBondContact N-O 2.96Å; S841-R844 CarbonylContact O-C 3.52Å; S841-R844 PolarHBondContact O-N 3.35Å
842	A	77.6	Confident	85.6	Confident	90 Å²	90	49.2 Å²	49.2	74%	0.744	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-21.1	-173.2	0	0	0	0	0	115.1
843	Q	76.4	Confident	87	Confident	136 Å²	136	52 Å²	52	64%	0.636	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-25.8	178	-63.2	178.1	-11.9	0	0	114.5	S841	S841-Q843 PolarHBondContact O-N 3.45Å
844	R	86.6	Confident	88.1	Confident	121 Å²	121	54.1 Å²	54.1	46%	0.457	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	139.3	-170	-59.5	-174.9	-176.9	-172.5	0.7	111.9	L810 S841	L810-R844 HydrophobicContact CD2-CB 3.85Å; L810-R844 HydrophobicContact CD2-CG 4.4Å; S841-R844 PolarHBondContact N-O 2.96Å; S841-R844 CarbonylContact O-C 3.52Å; S841-R844 PolarHBondContact O-N 3.35Å
845	T	87.3	Confident	88.9	Confident	81 Å²	81	50.1 Å²	50.1	50%	0.497	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.8	165.2	-53.7	0	0	0	0	110.3	T838 I839 Y840	T838-T845 HydrophobicContact CG2-CG2 3.53Å; I839-T845 CarbonylContact O-C 3.58Å; I839-T845 WeakPolarHBondContact O-CA 3.24Å; Y840-T845 HydrophobicContact CD1-CG2 3.62Å; Y840-T845 WeakPolarHBondContact CD1-OG1 3.48Å; Y840-T845 HydrophobicContact CD2-CG2 4.38Å; Y840-T845 HydrophobicContact CE1-CG2 3.62Å; Y840-T845 HydrophobicContact CE2-CG2 4.36Å; Y840-T845 HydrophobicContact CG-CG2 4.01Å
846	I	91.6	Very high	89.1	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.3	170.1	61.6	172.1	0	0	0	111.2	K773 F784 Y793 L810 I839 V848	K773-I846 HydrophobicContact CD-CG2 4.47Å; F784-I846 HydrophobicContact CE1-CD1 3.87Å; F784-I846 HydrophobicContact CZ-CD1 4.32Å; Y793-I846 HydrophobicContact CD1-CD1 4.45Å; Y793-I846 HydrophobicContact CE1-CD1 4.26Å; L810-I846 HydrophobicContact CD1-CD1 3.72Å; L810-I846 HydrophobicContact CD1-CG1 4.09Å; I839-I846 HydrophobicContact CB-CG1 3.95Å; I839-I846 HydrophobicContact CD1-CD1 4.37Å; I839-I846 HydrophobicContact CD1-CG1 4.42Å; I839-I846 HydrophobicContact CG1-CG1 4.5Å; I839-I846 PolarHBondContact N-O 2.95Å; I839-I846 PolarHBondContact O-N 3.46Å; I846-V848 HydrophobicContact CD1-CG1 4.01Å; I846-V848 HydrophobicContact CG1-CG1 4.31Å
847	V	90.5	Very high	89.3	Confident	43 Å²	43	48.1 Å²	48.1	26%	0.261	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.8	167.4	-175.1	0	0	0	0	108.3	L774 C836 T838	L774-V847 HydrophobicContact CB-CB 3.95Å; L774-V847 HydrophobicContact CB-CG1 4.34Å; L774-V847 HydrophobicContact CD2-CB 4.06Å; L774-V847 HydrophobicContact CD2-CG1 4.13Å; L774-V847 HydrophobicContact CD2-CG2 4.46Å; L774-V847 PolarHBondContact N-O 3.12Å; C836-V847 HydrophobicContact CB-CG1 4.28Å; T838-V847 HydrophobicContact CG2-CG2 4Å
848	V	94.1	Very high	89.4	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.8	179.5	-66.5	0	0	0	0	110.7	L771 Y772 F784 C836 F837 I839 I846	L771-V848 HydrophobicContact CD1-CG2 4.45Å; Y772-V848 CarbonylContact O-C 3.52Å; Y772-V848 WeakPolarHBondContact O-CA 3.46Å; F784-V848 HydrophobicContact CE1-CG1 4.01Å; F784-V848 HydrophobicContact CE2-CG1 4.35Å; F784-V848 HydrophobicContact CZ-CG1 3.55Å; C836-V848 CarbonylContact C-O 3.54Å; C836-V848 WeakPolarHBondContact CA-O 3.42Å; C836-V848 WeakPolarHBondContact CB-O 3.48Å; F837-V848 HydrophobicContact CD1-CG2 4.09Å; F837-V848 HydrophobicContact CD2-CG2 3.83Å; F837-V848 HydrophobicContact CE1-CG2 3.78Å; F837-V848 HydrophobicContact CE2-CG2 3.5Å; F837-V848 HydrophobicContact CG-CG2 4.12Å; F837-V848 HydrophobicContact CZ-CG2 3.48Å; F837-V848 VanDerWaalsContact CZ-CG2 3.48Å; F837-V848 PolarHBondContact N-O 3.43Å; F837-V848 WeakPolarHBondContact O-CG2 3.5Å; F837-V848 PolarHBondContact O-N 3.04Å; F837-V848 VanDerWaalsContact O-O 3.12Å; I839-V848 HydrophobicContact CD1-CG2 3.93Å; I839-V848 HydrophobicContact CG1-CG2 4.15Å; I846-V848 HydrophobicContact CD1-CG1 4.01Å; I846-V848 HydrophobicContact CG1-CG1 4.31Å
849	A	92.4	Very high	89.7	Confident	4 Å²	4	48.1 Å²	48.1	3%	0.033	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.9	175.7	0	0	0	0	0	111.6	Y772 L779 V833 H835 C836	Y772-A849 PolarHBondContact N-O 2.9Å; Y772-A849 PolarHBondContact O-N 3.47Å; L779-A849 HydrophobicContact CD2-CB 4.15Å; V833-A849 HydrophobicContact CG1-CB 3.86Å; H835-A849 WeakPolarHBondContact O-CA 3.45Å; C836-A849 HydrophobicContact CB-CB 4.11Å
850	A	93.6	Very high	89.8	Confident	8 Å²	8	49.2 Å²	49.2	7%	0.066	27%	0.271	C	S	.	.			trans	-91.7	161.5	177.7	0	0	0	0	0	112	L771 H835 S852 E855 M856	L771-A850 HydrophobicContact CD2-CB 3.81Å; H835-A850 PolarHBondContact O-N 2.69Å; A850-S852 PolarHBondContact O-N 3.32Å; A850-E855 HydrophobicContact CB-CB 4.07Å; A850-M856 HydrophobicContact CB-CB 3.79Å; A850-M856 HydrophobicContact CB-CG 4.34Å
851	S	90.9	Very high	90.1	Very high	57 Å²	57	49.6 Å²	49.6	40%	0.399	28%	0.276	S	S	.	.	S	Bend	trans	-72.8	-12.8	177.3	56.8	0	0	0	0	114.2	N932	S851-N932 VanDerWaalsContact CB-O 3.29Å; S851-N932 WeakPolarHBondContact CB-O 3.26Å; S851-N932 PolarHBondContact OG-O 3.29Å
852	S	90.7	Very high	90.6	Very high	40 Å²	40	49.6 Å²	49.6	28%	0.28	28%	0.276	S	S	.	.	S	Bend	trans	-162.8	162.7	175.2	64.8	0	0	0	0	110.9	H835 A850 V854 E855 M856	H835-S852 VanDerWaalsContact CD2-C 3.46Å; H835-S852 VanDerWaalsContact CD2-CA 3.47Å; H835-S852 WeakPolarHBondContact CD2-CA 3.17Å; A850-S852 PolarHBondContact O-N 3.32Å; S852-V854 PolarHBondContact O-N 3.29Å; S852-V854 PolarHBondContact OG-N 3.17Å; S852-E855 PolarHBondContact O-N 2.91Å; S852-E855 PolarHBondContact OG-N 3.33Å; S852-E855 VanDerWaalsContact OG-N 3.13Å; S852-M856 PolarHBondContact O-N 3.08Å
853	K	88.8	Confident	91.4	Very high	156 Å²	156	45.3 Å²	45.3	68%	0.678	24%	0.24	S	C	*	.	H	α-helix	trans	-55.8	-30.5	170.4	-170.4	170.5	-178	171.7	0	112.9	H835 M856 G857	H835-K853 PolarHBondContact CD2-N 3.16Å; H835-K853 PolarHBondContact NE2-N 2.94Å; K853-M856 WeakPolarHBondContact O-CB 3.42Å; K853-G857 PolarHBondContact O-N 2.72Å
854	V	90	Very high	92.2	Very high	73 Å²	73	42.3 Å²	42.3	44%	0.442	23%	0.228	S	C	.	.	H	α-helix	trans	-73.6	-41.6	178.9	176.7	0	0	0	0	111.8	S852 K858	S852-V854 PolarHBondContact O-N 3.29Å; S852-V854 PolarHBondContact OG-N 3.17Å; V854-K858 WeakPolarHBondContact O-CG 3.45Å; V854-K858 PolarHBondContact O-N 3.44Å
855	E	92.8	Very high	92.6	Very high	11 Å²	11	41.6 Å²	41.6	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-38.8	171.5	-71.5	-60	98.8	0	0	111.3	A850 S852 G857 K858 W859 S934	A850-E855 HydrophobicContact CB-CB 4.07Å; S852-E855 PolarHBondContact O-N 2.91Å; S852-E855 PolarHBondContact OG-N 3.33Å; S852-E855 VanDerWaalsContact OG-N 3.13Å; E855-G857 VanDerWaalsContact C-N 3.34Å; E855-G857 PolarHBondContact O-N 3.44Å; E855-K858 PolarHBondContact O-N 3.35Å; E855-K858 IonicContact OE1-NZ 3.73Å; E855-K858 PolarHBondContact OE1-NZ 3.37Å; E855-W859 VanDerWaalsContact O-CD1 3.3Å; E855-W859 PolarHBondContact O-N 3.39Å; E855-W859 VanDerWaalsContact O-N 3.15Å; E855-S934 WeakPolarHBondContact OE2-CB 3.2Å; E855-S934 PolarHBondContact OE2-N 3Å; E855-S934 PolarHBondContact OE2-OG 2.93Å
856	M	92.9	Very high	92.9	Very high	27 Å²	27	37.8 Å²	37.8	13%	0.133	21%	0.21	C	C	.	.	H	α-helix	trans	-56.2	-48.7	175.9	-161.2	-168	80	0	0	111.4	V819 H835 F837 A850 S852 K853 K858 W859 I860	V819-M856 HydrophobicContact CG1-CE 4.45Å; H835-M856 VanDerWaalsContact CA-SD 3.51Å; H835-M856 HydrophobicContact CB-CB 4.39Å; H835-M856 HydrophobicContact CB-CG 4.49Å; H835-M856 HydrophobicContact CB-SD 4.02Å; F837-M856 HydrophobicContact CD1-CG 3.79Å; F837-M856 HydrophobicContact CE1-CG 4.17Å; A850-M856 HydrophobicContact CB-CB 3.79Å; A850-M856 HydrophobicContact CB-CG 4.34Å; S852-M856 PolarHBondContact O-N 3.08Å; K853-M856 WeakPolarHBondContact O-CB 3.42Å; M856-K858 PolarHBondContact O-N 3.49Å; M856-W859 PolarHBondContact O-N 3.24Å; M856-I860 HydrophobicContact CE-CD1 3.85Å; M856-I860 HydrophobicContact CG-CD1 3.8Å; M856-I860 WeakPolarHBondContact O-CD1 3.35Å; M856-I860 WeakPolarHBondContact O-CG1 3.32Å; M856-I860 PolarHBondContact O-N 3.48Å; M856-I860 HydrophobicContact SD-CD1 4.39Å
857	G	92.3	Very high	93	Very high	33 Å²	33	37.6 Å²	37.6	34%	0.34	21%	0.209	S	C	.	.	H	α-helix	trans	-56.7	-50	178.7	0	0	0	0	0	112.9	K853 E855 W859 I860 E861	K853-G857 PolarHBondContact O-N 2.72Å; E855-G857 VanDerWaalsContact C-N 3.34Å; E855-G857 PolarHBondContact O-N 3.44Å; G857-W859 PolarHBondContact O-N 3.13Å; G857-I860 PolarHBondContact O-N 2.99Å; G857-E861 VanDerWaalsContact O-CB 3.31Å; G857-E861 WeakPolarHBondContact O-CB 3.27Å; G857-E861 PolarHBondContact O-N 3.37Å
858	K	93.7	Very high	93	Very high	12 Å²	12	38.7 Å²	38.7	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-40.6	179.7	-65.3	167.9	-165.2	164.7	0	113.3	V854 E855 M856 D862 T1043	V854-K858 WeakPolarHBondContact O-CG 3.45Å; V854-K858 PolarHBondContact O-N 3.44Å; E855-K858 PolarHBondContact O-N 3.35Å; E855-K858 IonicContact OE1-NZ 3.73Å; E855-K858 PolarHBondContact OE1-NZ 3.37Å; M856-K858 PolarHBondContact O-N 3.49Å; K858-D862 WeakPolarHBondContact O-CB 3.29Å; K858-D862 PolarHBondContact O-N 2.96Å; K858-T1043 VanDerWaalsContact CE-O 3.29Å; K858-T1043 WeakPolarHBondContact CE-O 3.47Å; K858-T1043 VanDerWaalsContact NZ-CB 3.35Å; K858-T1043 VanDerWaalsContact NZ-CG2 3.26Å; K858-T1043 PolarHBondContact NZ-O 2.94Å
859	W	95.9	Very high	92.9	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-40.8	178	-84.9	99.8	0	0	0	111.3	R767 L771 F784 L786 L791 F837 E855 M856 G857 L863	R767-W859 HydrophobicContact CB-CH2 4.37Å; R767-W859 HydrophobicContact CB-CZ3 4.46Å; R767-W859 VanDerWaalsContact CD-CE2 3.49Å; R767-W859 HydrophobicContact CG-CH2 3.89Å; R767-W859 HydrophobicContact CG-CZ2 3.84Å; R767-W859 HydrophobicContact CG-CZ3 4.28Å; L771-W859 HydrophobicContact CD1-CD2 3.84Å; L771-W859 HydrophobicContact CD1-CE3 4.28Å; L771-W859 HydrophobicContact CD1-CG 4.05Å; L771-W859 HydrophobicContact CD1-CZ2 4.45Å; L771-W859 HydrophobicContact CD2-CG 4.3Å; L771-W859 HydrophobicContact CG-CD2 4.43Å; F784-W859 HydrophobicContact CB-CH2 3.61Å; F784-W859 HydrophobicContact CB-CZ2 4.2Å; F784-W859 HydrophobicContact CB-CZ3 4.1Å; L786-W859 HydrophobicContact CB-CZ3 4.17Å; L791-W859 HydrophobicContact CD1-CZ3 4.17Å; F837-W859 HydrophobicContact CE1-CB 4.32Å; F837-W859 HydrophobicContact CZ-CB 3.89Å; E855-W859 VanDerWaalsContact O-CD1 3.3Å; E855-W859 PolarHBondContact O-N 3.39Å; E855-W859 VanDerWaalsContact O-N 3.15Å; M856-W859 PolarHBondContact O-N 3.24Å; G857-W859 PolarHBondContact O-N 3.13Å; W859-L863 HydrophobicContact CE3-CD1 4.47Å; W859-L863 WeakPolarHBondContact O-CB 3.42Å; W859-L863 VanDerWaalsContact O-CD1 3.3Å; W859-L863 WeakPolarHBondContact O-CD1 3.45Å; W859-L863 WeakPolarHBondContact O-CG 3.34Å; W859-L863 PolarHBondContact O-N 3.39Å
860	I	93.9	Very high	92.7	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-67.8	-42.2	176.6	-66.9	160.5	0	0	0	111.2	L817 V819 F837 M856 G857 N864	L817-I860 HydrophobicContact CD1-CG2 4.33Å; V819-I860 HydrophobicContact CG2-CD1 3.63Å; V819-I860 HydrophobicContact CG2-CG1 4.3Å; V819-I860 HydrophobicContact CG2-CG2 4.39Å; F837-I860 HydrophobicContact CB-CD1 4.31Å; F837-I860 HydrophobicContact CD1-CD1 4.16Å; F837-I860 HydrophobicContact CD1-CG1 4.16Å; F837-I860 HydrophobicContact CD2-CG1 4.19Å; F837-I860 HydrophobicContact CE1-CG1 4.38Å; F837-I860 HydrophobicContact CE2-CG1 4.4Å; F837-I860 HydrophobicContact CG-CD1 4.2Å; F837-I860 HydrophobicContact CG-CG1 4.06Å; F837-I860 HydrophobicContact CZ-CG1 4.49Å; M856-I860 HydrophobicContact CE-CD1 3.85Å; M856-I860 HydrophobicContact CG-CD1 3.8Å; M856-I860 WeakPolarHBondContact O-CD1 3.35Å; M856-I860 WeakPolarHBondContact O-CG1 3.32Å; M856-I860 PolarHBondContact O-N 3.48Å; M856-I860 HydrophobicContact SD-CD1 4.39Å; G857-I860 PolarHBondContact O-N 2.99Å; I860-N864 WeakPolarHBondContact CG2-ND2 3.44Å; I860-N864 VanDerWaalsContact O-CB 3.31Å; I860-N864 WeakPolarHBondContact O-CB 3.25Å; I860-N864 VanDerWaalsContact O-CG 3.31Å; I860-N864 PolarHBondContact O-N 3.38Å; I860-N864 PolarHBondContact O-ND2 2.92Å
861	E	94.5	Very high	92.3	Very high	105 Å²	105	47.8 Å²	47.8	49%	0.491	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-57.3	176.9	-177.2	-180	-160.8	0	0	111.3	G857 L863 N864 L865	G857-E861 VanDerWaalsContact O-CB 3.31Å; G857-E861 WeakPolarHBondContact O-CB 3.27Å; G857-E861 PolarHBondContact O-N 3.37Å; E861-L863 PolarHBondContact O-N 3.25Å; E861-N864 PolarHBondContact O-N 2.67Å; E861-L865 WeakPolarHBondContact O-CB 3.37Å; E861-L865 PolarHBondContact O-N 2.9Å
862	D	96.3	Very high	91.9	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.064	26%	0.262	C	S	.	.	H	α-helix	trans	-65.7	-37.8	-179.4	-72.7	-5.5	0	0	0	112	I766 R767 L786 K858 A866 R1046	I766-D862 HydrophobicContact CG2-CB 4.01Å; R767-D862 IonicContact CZ-OD2 3.73Å; R767-D862 IonicContact NE-OD2 3.84Å; R767-D862 PolarHBondContact NE-OD2 3.39Å; R767-D862 IonicContact NH2-OD1 3.96Å; R767-D862 IonicContact NH2-OD2 2.81Å; R767-D862 PolarHBondContact NH2-OD2 2.79Å; L786-D862 HydrophobicContact CD2-CB 3.99Å; K858-D862 WeakPolarHBondContact O-CB 3.29Å; K858-D862 PolarHBondContact O-N 2.96Å; D862-A866 VanDerWaalsContact O-CB 3.25Å; D862-A866 WeakPolarHBondContact O-CB 3.49Å; D862-A866 PolarHBondContact O-N 3.41Å; D862-R1046 IonicContact OD1-NH1 2.71Å
863	L	95.2	Very high	91.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-47.7	176.8	-78.9	166.4	0	0	0	111.6	L786 L791 L812 M815 L817 F837 I839 W859 E861 L865 A866 I867	L786-L863 HydrophobicContact CD1-CD2 3.59Å; L786-L863 HydrophobicContact CD2-CD2 3.85Å; L786-L863 HydrophobicContact CD2-CG 4.03Å; L786-L863 HydrophobicContact CG-CD2 4.28Å; L791-L863 HydrophobicContact CD1-CD2 4.43Å; L791-L863 HydrophobicContact CD2-CD2 4.12Å; L812-L863 HydrophobicContact CD2-CD2 4.45Å; M815-L863 HydrophobicContact SD-CD2 4.46Å; L817-L863 HydrophobicContact CD1-CB 3.58Å; L817-L863 HydrophobicContact CD1-CD1 4.23Å; L817-L863 HydrophobicContact CD2-CB 4.4Å; L817-L863 HydrophobicContact CD2-CD1 4.13Å; F837-L863 HydrophobicContact CE2-CD1 3.79Å; F837-L863 HydrophobicContact CZ-CD1 4.27Å; I839-L863 HydrophobicContact CD1-CD1 4.25Å; W859-L863 HydrophobicContact CE3-CD1 4.47Å; W859-L863 WeakPolarHBondContact O-CB 3.42Å; W859-L863 VanDerWaalsContact O-CD1 3.3Å; W859-L863 WeakPolarHBondContact O-CD1 3.45Å; W859-L863 WeakPolarHBondContact O-CG 3.34Å; W859-L863 PolarHBondContact O-N 3.39Å; E861-L863 PolarHBondContact O-N 3.25Å; L863-L865 VanDerWaalsContact C-N 3.34Å; L863-L865 PolarHBondContact O-N 3.37Å; L863-A866 PolarHBondContact O-N 3.02Å; L863-I867 WeakPolarHBondContact O-CB 3.34Å; L863-I867 WeakPolarHBondContact O-CD1 3.31Å; L863-I867 WeakPolarHBondContact O-CG1 3.37Å; L863-I867 PolarHBondContact O-N 3.12Å
864	N	93.4	Very high	90.1	Very high	72 Å²	72	49.3 Å²	49.3	39%	0.385	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-44.7	178.1	-78.9	-30.2	0	0	0	111.3	L817 I860 E861 A866 I867 D868	L817-N864 VanDerWaalsContact CD1-OD1 3.27Å; L817-N864 WeakPolarHBondContact CD1-OD1 3.11Å; I860-N864 WeakPolarHBondContact CG2-ND2 3.44Å; I860-N864 VanDerWaalsContact O-CB 3.31Å; I860-N864 WeakPolarHBondContact O-CB 3.25Å; I860-N864 VanDerWaalsContact O-CG 3.31Å; I860-N864 PolarHBondContact O-N 3.38Å; I860-N864 PolarHBondContact O-ND2 2.92Å; E861-N864 PolarHBondContact O-N 2.67Å; N864-A866 PolarHBondContact O-N 3.12Å; N864-I867 PolarHBondContact O-N 3.24Å; N864-D868 WeakPolarHBondContact O-CB 3.45Å; N864-D868 PolarHBondContact O-N 3.44Å
865	L	93.7	Very high	88.7	Confident	106 Å²	106	52 Å²	52	56%	0.555	27%	0.27	S	S	*	.	H	α-helix	trans	-60.5	-45.1	177.1	-177.7	61.9	0	0	0	111.7	E861 L863 D868 L869	E861-L865 WeakPolarHBondContact O-CB 3.37Å; E861-L865 PolarHBondContact O-N 2.9Å; L863-L865 VanDerWaalsContact C-N 3.34Å; L863-L865 PolarHBondContact O-N 3.37Å; L865-D868 PolarHBondContact O-N 3.38Å; L865-L869 HydrophobicContact CD1-CD1 4.24Å; L865-L869 HydrophobicContact CD1-CG 4.46Å; L865-L869 HydrophobicContact CG-CD1 4.1Å; L865-L869 WeakPolarHBondContact O-CB 3.13Å; L865-L869 VanDerWaalsContact O-CG 3.26Å; L865-L869 WeakPolarHBondContact O-CG 3.44Å; L865-L869 PolarHBondContact O-N 2.8Å
866	A	94.8	Very high	87	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-43.8	178	0	0	0	0	0	112.3	I766 L786 L812 D862 L863 N864 D868 L869 A870	I766-A866 HydrophobicContact CD1-CB 3.51Å; L786-A866 HydrophobicContact CD1-CB 4.29Å; L786-A866 HydrophobicContact CD2-CB 4.27Å; L786-A866 HydrophobicContact CG-CB 4.48Å; L812-A866 HydrophobicContact CD1-CB 3.51Å; D862-A866 VanDerWaalsContact O-CB 3.25Å; D862-A866 WeakPolarHBondContact O-CB 3.49Å; D862-A866 PolarHBondContact O-N 3.41Å; L863-A866 PolarHBondContact O-N 3.02Å; N864-A866 PolarHBondContact O-N 3.12Å; A866-D868 PolarHBondContact O-N 3.12Å; A866-L869 PolarHBondContact O-N 3.18Å; A866-A870 WeakPolarHBondContact O-CB 3.31Å; A866-A870 PolarHBondContact O-N 2.95Å
867	I	92.9	Very high	85.2	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-43.7	176.9	-70.2	164	0	0	0	111.1	L812 M815 L817 L863 N864 A870 K871	L812-I867 HydrophobicContact CB-CG1 4.14Å; L812-I867 HydrophobicContact CD2-CG1 4.14Å; M815-I867 HydrophobicContact CB-CD1 3.92Å; M815-I867 HydrophobicContact CB-CG1 4.11Å; M815-I867 HydrophobicContact CG-CD1 3.74Å; M815-I867 HydrophobicContact CG-CG1 4.39Å; M815-I867 HydrophobicContact SD-CD1 3.78Å; M815-I867 HydrophobicContact SD-CG1 4.28Å; L817-I867 HydrophobicContact CD2-CD1 4.26Å; L817-I867 HydrophobicContact CG-CD1 4.11Å; L863-I867 WeakPolarHBondContact O-CB 3.34Å; L863-I867 WeakPolarHBondContact O-CD1 3.31Å; L863-I867 WeakPolarHBondContact O-CG1 3.37Å; L863-I867 PolarHBondContact O-N 3.12Å; N864-I867 PolarHBondContact O-N 3.24Å; I867-A870 PolarHBondContact O-N 3.17Å; I867-K871 WeakPolarHBondContact O-CG 3.47Å; I867-K871 PolarHBondContact O-N 3.22Å; I867-K871 VanDerWaalsContact O-N 3.13Å
868	D	90.9	Very high	82.7	Confident	66 Å²	66	61.8 Å²	61.8	35%	0.353	32%	0.324	S	S	.	.	H	α-helix	trans	-74.4	-27.6	-179.9	-79.9	-6.4	0	0	0	113.7	N864 L865 A866 K871 K872	N864-D868 WeakPolarHBondContact O-CB 3.45Å; N864-D868 PolarHBondContact O-N 3.44Å; L865-D868 PolarHBondContact O-N 3.38Å; A866-D868 PolarHBondContact O-N 3.12Å; D868-K871 IonicContact OD1-NZ 2.58Å; D868-K871 PolarHBondContact OD1-NZ 3.5Å; D868-K872 VanDerWaalsContact O-CD 3.3Å; D868-K872 WeakPolarHBondContact O-CD 3.27Å; D868-K872 VanDerWaalsContact O-CG 3.29Å; D868-K872 WeakPolarHBondContact O-CG 3.49Å; D868-K872 PolarHBondContact O-N 3.22Å
869	L	90.4	Very high	80.3	Confident	97 Å²	97	66.8 Å²	66.8	51%	0.508	36%	0.355	S	S	.	.	H	α-helix	trans	-70	-43.8	168.8	-72	169.7	0	0	0	111.1	L865 A866 K871 K872 S873	L865-L869 HydrophobicContact CD1-CD1 4.24Å; L865-L869 HydrophobicContact CD1-CG 4.46Å; L865-L869 HydrophobicContact CG-CD1 4.1Å; L865-L869 WeakPolarHBondContact O-CB 3.13Å; L865-L869 VanDerWaalsContact O-CG 3.26Å; L865-L869 WeakPolarHBondContact O-CG 3.44Å; L865-L869 PolarHBondContact O-N 2.8Å; A866-L869 PolarHBondContact O-N 3.18Å; L869-K871 VanDerWaalsContact C-N 3.33Å; L869-K871 PolarHBondContact O-N 3.45Å; L869-K872 PolarHBondContact O-N 2.95Å; L869-K872 VanDerWaalsContact O-N 3.12Å; L869-S873 PolarHBondContact O-N 3Å; L869-S873 PolarHBondContact O-OG 3.41Å
870	A	88.6	Confident	77.7	Confident	13 Å²	13	75.3 Å²	75.3	11%	0.107	39%	0.393	C	S	.	.	H	α-helix	trans	-59	-40.4	178.2	0	0	0	0	0	112.7	L812 A866 I867 S873 Q874	L812-A870 HydrophobicContact CB-CB 4.26Å; A866-A870 WeakPolarHBondContact O-CB 3.31Å; A866-A870 PolarHBondContact O-N 2.95Å; I867-A870 PolarHBondContact O-N 3.17Å; A870-S873 WeakPolarHBondContact CA-OG 3.24Å; A870-S873 PolarHBondContact O-OG 3.13Å; A870-Q874 PolarHBondContact O-N 3.02Å
871	K	86.1	Confident	75.1	Confident	94 Å²	94	81.3 Å²	81.3	41%	0.409	42%	0.424	S	S	.	.	H	α-helix	trans	-57	-53.5	171.1	-67.8	167.2	-165.3	161.9	0	111.4	I867 D868 L869 S873 Q874 E875	I867-K871 WeakPolarHBondContact O-CG 3.47Å; I867-K871 PolarHBondContact O-N 3.22Å; I867-K871 VanDerWaalsContact O-N 3.13Å; D868-K871 IonicContact OD1-NZ 2.58Å; D868-K871 PolarHBondContact OD1-NZ 3.5Å; L869-K871 VanDerWaalsContact C-N 3.33Å; L869-K871 PolarHBondContact O-N 3.45Å; K871-S873 VanDerWaalsContact C-N 3.35Å; K871-S873 PolarHBondContact O-N 3.4Å; K871-Q874 WeakPolarHBondContact O-CB 3.37Å; K871-Q874 PolarHBondContact O-N 3.23Å; K871-E875 PolarHBondContact O-N 3.13Å; K871-E875 VanDerWaalsContact O-N 3.13Å
872	K	82.1	Confident	72.2	Confident	115 Å²	115	81.4 Å²	81.4	50%	0.5	44%	0.436	S	S	.	.	H	α-helix	trans	-65.9	-31.1	-175.7	-69.3	165.7	-170.7	165.3	0	113.5	D868 L869 Q874 K876	D868-K872 VanDerWaalsContact O-CD 3.3Å; D868-K872 WeakPolarHBondContact O-CD 3.27Å; D868-K872 VanDerWaalsContact O-CG 3.29Å; D868-K872 WeakPolarHBondContact O-CG 3.49Å; D868-K872 PolarHBondContact O-N 3.22Å; L869-K872 PolarHBondContact O-N 2.95Å; L869-K872 VanDerWaalsContact O-N 3.12Å; K872-Q874 VanDerWaalsContact C-N 3.31Å; K872-K876 PolarHBondContact O-N 3.37Å
873	S	75.6	Confident	69.1	Low	74 Å²	74	87.5 Å²	87.5	52%	0.517	47%	0.474	S	S	.	.	H	α-helix	trans	-65.2	-35.8	171.1	40.7	0	0	0	0	112.3	L869 A870 K871 K876 S877	L869-S873 PolarHBondContact O-N 3Å; L869-S873 PolarHBondContact O-OG 3.41Å; A870-S873 WeakPolarHBondContact CA-OG 3.24Å; A870-S873 PolarHBondContact O-OG 3.13Å; K871-S873 VanDerWaalsContact C-N 3.35Å; K871-S873 PolarHBondContact O-N 3.4Å; S873-K876 PolarHBondContact O-N 2.83Å; S873-S877 PolarHBondContact O-N 3.39Å; S873-S877 PolarHBondContact O-OG 2.93Å
874	Q	65.6	Low	66	Low	96 Å²	96	91.1 Å²	91.1	45%	0.449	51%	0.511	S	S	.	.	H	α-helix	trans	-77.3	-35.2	-177.2	-169.1	170	-3.9	0	0	112.9	H813 A870 K871 K872 K876 S877 G878	H813-Q874 PolarHBondContact CE1-OE1 3.41Å; H813-Q874 PolarHBondContact ND1-OE1 3.01Å; A870-Q874 PolarHBondContact O-N 3.02Å; K871-Q874 WeakPolarHBondContact O-CB 3.37Å; K871-Q874 PolarHBondContact O-N 3.23Å; K872-Q874 VanDerWaalsContact C-N 3.31Å; Q874-K876 VanDerWaalsContact C-N 3.27Å; Q874-K876 PolarHBondContact O-N 3.49Å; Q874-S877 WeakPolarHBondContact CA-OG 3.49Å; Q874-S877 PolarHBondContact O-N 3.41Å; Q874-S877 PolarHBondContact O-OG 2.76Å; Q874-G878 PolarHBondContact O-N 3.35Å
875	E	60.4	Low	63.1	Low	131 Å²	131	96.1 Å²	96.1	61%	0.612	54%	0.538	S	S	*	.	H	α-helix	trans	-56	-43.8	169.9	-69	169.2	169	0	0	111	K871 S877 G878 V879	K871-E875 PolarHBondContact O-N 3.13Å; K871-E875 VanDerWaalsContact O-N 3.13Å; E875-S877 PolarHBondContact O-N 3.44Å; E875-G878 PolarHBondContact O-N 2.94Å; E875-V879 WeakPolarHBondContact O-CG2 3.48Å; E875-V879 PolarHBondContact O-N 3.28Å
876	K	57.8	Low	60.2	Low	165 Å²	165	98 Å²	98	72%	0.717	55%	0.548	S	S	*	.	H	α-helix	trans	-66.3	-34.9	177.4	-70.5	-178.9	179.6	-177.1	0	113.8	K872 S873 Q874	K872-K876 PolarHBondContact O-N 3.37Å; S873-K876 PolarHBondContact O-N 2.83Å; Q874-K876 VanDerWaalsContact C-N 3.27Å; Q874-K876 PolarHBondContact O-N 3.49Å
877	S	54.3	Low	57	Low	63 Å²	63	105.5 Å²	105.5	44%	0.441	59%	0.588	S	S	.	*	H	α-helix	trans	-77.6	-34.2	174.2	55.2	0	0	0	0	113.2	S873 Q874 E875 V879 F880	S873-S877 PolarHBondContact O-N 3.39Å; S873-S877 PolarHBondContact O-OG 2.93Å; Q874-S877 WeakPolarHBondContact CA-OG 3.49Å; Q874-S877 PolarHBondContact O-N 3.41Å; Q874-S877 PolarHBondContact O-OG 2.76Å; E875-S877 PolarHBondContact O-N 3.44Å; S877-V879 VanDerWaalsContact C-N 3.32Å; S877-V879 PolarHBondContact O-N 3.48Å; S877-F880 PolarHBondContact O-N 3.44Å; S877-F880 VanDerWaalsContact O-N 3.13Å
878	G	39.9	Very low	54.1	Low	48 Å²	48	112.8 Å²	112.8	50%	0.495	62%	0.622	S	S	.	*	H	α-helix	trans	-66.2	-31.9	-178.1	0	0	0	0	0	113.4	Q874 E875 F880 L881	Q874-G878 PolarHBondContact O-N 3.35Å; E875-G878 PolarHBondContact O-N 2.94Å; G878-F880 PolarHBondContact O-N 3.39Å; G878-L881 PolarHBondContact O-N 2.77Å
879	V	44.5	Very low	51.1	Low	117 Å²	117	114.6 Å²	114.6	71%	0.709	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-19.5	174.6	171.6	0	0	0	0	112.9	E875 S877	E875-V879 WeakPolarHBondContact O-CG2 3.48Å; E875-V879 PolarHBondContact O-N 3.28Å; S877-V879 VanDerWaalsContact C-N 3.32Å; S877-V879 PolarHBondContact O-N 3.48Å
880	F	41.5	Very low	48	Very low	180 Å²	180	118 Å²	118	79%	0.789	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	2.2	-178.3	-90.6	-84.5	0	0	0	115.1	S877 G878	S877-F880 PolarHBondContact O-N 3.44Å; S877-F880 VanDerWaalsContact O-N 3.13Å; G878-F880 PolarHBondContact O-N 3.39Å
881	L	38.6	Very low	45.3	Very low	148 Å²	148	129.2 Å²	129.2	78%	0.775	70%	0.698	S	S	*	*			trans	-127.3	69.7	-177.7	-70.3	175.5	0	0	0	112.4	G878	G878-L881 PolarHBondContact O-N 2.77Å
882	S	33.5	Very low	42.5	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	72%	0.717	S	S	*	*	S	Bend	trans	-120.4	12.6	174.7	54.1	0	0	0	0	114.5
883	T	32.1	Very low	39.8	Very low	140 Å²	140	129.9 Å²	129.9	86%	0.859	73%	0.728	S	S	*	*	S	Bend	trans	-147.8	125	171.9	-33.4	0	0	0	0	110.7
884	G	29.6	Very low	37.7	Very low	76 Å²	76	134.6 Å²	134.6	78%	0.784	75%	0.748	S	S	*	*			trans	138.9	105.5	171.2	0	0	0	0	0	115
885	L	32.3	Very low	35.9	Very low	178 Å²	178	137.7 Å²	137.7	93%	0.932	76%	0.763	S	S	*	*			trans	-50.9	160.1	-177.9	-64.9	159.2	0	0	0	117
886	N	33.6	Very low	34.4	Very low	146 Å²	146	138 Å²	138	78%	0.781	77%	0.773	S	S	*	*			trans	-51.4	149.7	169.5	-57.1	-14.5	0	0	0	113.8
887	D	25.8	Very low	32.8	Very low	158 Å²	158	134.8 Å²	134.8	85%	0.845	77%	0.771	S	S	*	*				-143.6	164.2	126.9	-152.7	-7.7	0	0	0	110.7
888	H	32	Very low	31.6	Very low	156 Å²	156	139.7 Å²	139.7	72%	0.722	79%	0.791	S	S	*	*			trans	-103.8	173.6	-167.6	-82.2	-82.1	0	0	0	114.4
889	S	29.2	Very low	31.2	Very low	104 Å²	104	146.1 Å²	146.1	73%	0.727	81%	0.809	S	S	*	*			trans	84	102.3	161.7	76.5	0	0	0	0	118.6
890	N	25.5	Very low	30.4	Very low	168 Å²	168	149 Å²	149	90%	0.898	81%	0.814	S	S	*	*				-151.1	126.2	93	-112.6	-44.6	0	0	0	112
891	R	30.5	Very low	30	Very low	250 Å²	250	145.8 Å²	145.8	94%	0.943	80%	0.802	S	S	*	*			trans	-101.8	108.1	-176.5	177.6	-176.8	179.5	-178.3	-0.1	108.9
892	S	27.4	Very low	29.5	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	80%	0.799	S	S	*	*			trans	-127.7	83.3	-178	-178.1	0	0	0	0	112.8
893	S	26.8	Very low	29.5	Very low	106 Å²	106	145.9 Å²	145.9	74%	0.741	80%	0.798	S	S	*	*			trans	60	52	156.6	-159.8	0	0	0	0	118.5	E895	S893-E895 VanDerWaalsContact C-N 3.27Å; S893-E895 PolarHBondContact O-N 3.29Å
894	D	30.1	Very low	29.4	Very low	173 Å²	173	145.3 Å²	145.3	93%	0.925	79%	0.79	S	S	*	*			trans	-69.1	87.6	151.7	-91.5	-46.1	0	0	0	109.8
895	E	27.6	Very low	29.4	Very low	162 Å²	162	148.7 Å²	148.7	76%	0.757	79%	0.79	S	S	*	*			trans	-145.3	83.3	160.1	-169	167.6	-150.2	0	0	109.5	S893	S893-E895 VanDerWaalsContact C-N 3.27Å; S893-E895 PolarHBondContact O-N 3.29Å
896	V	29.6	Very low	29.3	Very low	138 Å²	138	148.5 Å²	148.5	84%	0.836	79%	0.786	S	S	*	*			trans	-98.5	105.4	163.5	-177.9	0	0	0	0	106.6
897	S	24.9	Very low	29.1	Very low	97 Å²	97	148.3 Å²	148.3	68%	0.678	79%	0.785	S	S	*	*			trans	-56.6	152.4	-170.9	-48.5	0	0	0	0	113.6
898	L	28.9	Very low	29.1	Very low	165 Å²	165	146.1 Å²	146.1	86%	0.864	78%	0.782	S	S	*	*			trans	-67.6	157	164.2	-71.2	167.2	0	0	0	110.9
899	E	31.9	Very low	29	Very low	183 Å²	183	142.9 Å²	142.9	86%	0.855	78%	0.777	S	S	*	*			trans	80.3	163.4	164.8	-49.3	-141.3	135	0	0	119.9
900	Q	27.1	Very low	29.2	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	78%	0.783	S	S	*	*			trans	54.3	101.9	175.5	-66.6	-174.8	-17.2	0	0	118.7	S902	Q900-S902 VanDerWaalsContact C-N 3.34Å; Q900-S902 PolarHBondContact O-N 3.12Å
901	E	32.8	Very low	29.3	Very low	114 Å²	114	147 Å²	147	53%	0.533	78%	0.779	S	S	.	*			trans	-61.4	96	147.3	-72.2	167.8	120.1	0	0	108.7	K776 E903	K776-E901 VanDerWaalsContact CD-OE2 3.25Å; K776-E901 WeakPolarHBondContact CD-OE2 3.47Å; K776-E901 WeakPolarHBondContact CE-OE2 3.25Å; K776-E901 IonicContact NZ-OE2 2.76Å; K776-E901 PolarHBondContact NZ-OE2 2.65Å; E901-E903 PolarHBondContact O-N 3.32Å; E901-E903 VanDerWaalsContact O-N 3.14Å
902	S	28.6	Very low	29.1	Very low	101 Å²	101	141 Å²	141	71%	0.706	78%	0.775	S	S	*	*			trans	-57.2	117.5	179.7	54.7	0	0	0	0	112.4	Q900 D904	Q900-S902 VanDerWaalsContact C-N 3.34Å; Q900-S902 PolarHBondContact O-N 3.12Å; S902-D904 PolarHBondContact O-N 3.02Å
903	E	34	Very low	29.4	Very low	156 Å²	156	144.1 Å²	144.1	73%	0.729	78%	0.782	S	S	*	*	S	Bend	trans	-80.9	50	173.1	-71.1	-108.3	105.4	0	0	110.9	K777 E901	K777-E903 IonicContact NZ-OE1 3.62Å; K777-E903 PolarHBondContact NZ-OE1 3.46Å; E901-E903 PolarHBondContact O-N 3.32Å; E901-E903 VanDerWaalsContact O-N 3.14Å
904	D	29.6	Very low	29.4	Very low	128 Å²	128	146.4 Å²	146.4	68%	0.684	79%	0.786	S	S	*	*			trans	-152.1	88.1	173.7	-126.1	-26.5	0	0	0	112.5	S902	S902-D904 PolarHBondContact O-N 3.02Å
905	D	29.6	Very low	29.3	Very low	147 Å²	147	147.5 Å²	147.5	79%	0.786	78%	0.783	S	S	*	*			trans	-145.9	35.6	166.1	-149.5	0.1	0	0	0	110.4
906	M	30.8	Very low	29.3	Very low	173 Å²	173	148 Å²	148	85%	0.852	79%	0.785	S	S	*	*	S	Bend	trans	-111	10.7	179.9	-121.5	-58.6	176.3	0	0	113.5
907	N	28	Very low	29.2	Very low	142 Å²	142	146 Å²	146	76%	0.759	77%	0.773	S	S	*	*			trans	-128.8	8.4	179.8	-105.1	-30.4	0	0	0	114.9	S909	N907-S909 VanDerWaalsContact C-N 3.25Å; N907-S909 PolarHBondContact O-N 2.99Å
908	S	25.6	Very low	29.6	Very low	112 Å²	112	146.8 Å²	146.8	78%	0.783	77%	0.765	S	S	*	*			trans	-78.3	70.9	173.8	-163.7	0	0	0	0	111.9
909	S	31	Very low	30	Very low	89 Å²	89	147 Å²	147	62%	0.622	76%	0.762	S	S	*	*			trans	-148.4	127.2	165.5	76.8	0	0	0	0	111.7	N907	N907-S909 VanDerWaalsContact C-N 3.25Å; N907-S909 PolarHBondContact O-N 2.99Å
910	R	33.3	Very low	31.1	Very low	224 Å²	224	141 Å²	141	85%	0.845	73%	0.731	S	S	*	*	S	Bend	trans	68.7	121	-168	-48.1	159.9	167.3	170.6	-6.2	110.6
911	T	28.3	Very low	32.6	Very low	135 Å²	135	135.9 Å²	135.9	83%	0.828	72%	0.719	S	S	*	*			cis	-152.2	120.1	34.8	47.3	0	0	0	0	113.6
912	S	25.4	Very low	34.6	Very low	122 Å²	122	135.6 Å²	135.6	85%	0.853	72%	0.721	S	S	*	*			trans	-168.8	47.4	163.6	50.5	0	0	0	0	112.9	D914	S912-D914 VanDerWaalsContact C-N 3.3Å; S912-D914 PolarHBondContact O-N 3.28Å
913	L	32.7	Very low	37.3	Very low	183 Å²	183	131.5 Å²	131.5	96%	0.958	69%	0.692	S	S	*	*			trans	-78.9	74.6	177.1	-94.6	167.8	0	0	0	111.6
914	D	28.1	Very low	40.1	Very low	153 Å²	153	124.4 Å²	124.4	82%	0.818	66%	0.66	S	S	*	*			trans	-153.5	73.9	163.2	-133.9	-15.1	0	0	0	113.3	S912	S912-D914 VanDerWaalsContact C-N 3.3Å; S912-D914 PolarHBondContact O-N 3.28Å
915	K	27.3	Very low	43	Very low	197 Å²	197	118.3 Å²	118.3	86%	0.857	63%	0.627	S	S	*	*	S	Bend	trans	-171.4	144.5	155.8	-104.9	151.1	-169.3	173.4	0	110	T917	K915-T917 PolarHBondContact O-N 3.4Å
916	Q	28.2	Very low	46	Very low	173 Å²	173	111.5 Å²	111.5	81%	0.808	59%	0.591	S	S	*	*			trans	-69.4	117	-179.7	-69.1	162.7	-43.3	0	0	110.1	H918	Q916-H918 PolarHBondContact O-CD2 2.91Å; Q916-H918 PolarHBondContact O-N 3.14Å
917	T	27.6	Very low	48.9	Very low	94 Å²	94	104.1 Å²	104.1	58%	0.577	56%	0.555	S	S	*	*			trans	-84.6	95.9	173.5	35.7	0	0	0	0	110.2	K915 H919	K915-T917 PolarHBondContact O-N 3.4Å; T917-H919 PolarHBondContact O-N 3.46Å
918	H	32.6	Very low	52.1	Low	114 Å²	114	97.3 Å²	97.3	53%	0.528	52%	0.519	S	S	.	.			trans	-64.3	114.3	175.3	-67.3	-114.6	0	0	0	110.2	L675 Q916 R920	L675-H918 HydrophobicContact CD1-CB 3.78Å; L675-H918 WeakPolarHBondContact CD1-ND1 3.43Å; Q916-H918 PolarHBondContact O-CD2 2.91Å; Q916-H918 PolarHBondContact O-N 3.14Å; H918-R920 PolarHBondContact O-N 3Å
919	H	37.8	Very low	55.3	Low	170 Å²	170	93.1 Å²	93.1	79%	0.787	49%	0.486	S	S	*	.			trans	-73.8	96.5	177	-75.9	-61	0	0	0	111.2	L675 T917	L675-H919 WeakPolarHBondContact CD2-O 3.27Å; T917-H919 PolarHBondContact O-N 3.46Å
920	R	54.5	Low	58.2	Low	56 Å²	56	94.7 Å²	94.7	21%	0.211	48%	0.483	C	S	.	.			trans	-65.8	148.7	172	-167.8	167.7	176.2	-141.7	-14.6	111.5	R750 D751 H918	R750-R920 PolarHBondContact O-NH1 3.37Å; D751-R920 IonicContact OD1-CZ 2.73Å; D751-R920 IonicContact OD1-NH1 3.19Å; D751-R920 PolarHBondContact OD1-NH1 3.43Å; D751-R920 IonicContact OD1-NH2 3.12Å; D751-R920 PolarHBondContact OD1-NH2 2.83Å; H918-R920 PolarHBondContact O-N 3Å
921	A	58.7	Low	61	Low	70 Å²	70	86.6 Å²	86.6	58%	0.579	45%	0.452	S	S	*	.			trans	-61.5	147.5	177.2	0	0	0	0	0	112.3	T923	A921-T923 PolarHBondContact O-N 2.87Å
922	N	75	Confident	64	Low	108 Å²	108	82.4 Å²	82.4	58%	0.578	43%	0.425	S	S	*	.			trans	-76.4	106.4	179.8	-71.8	-37.4	0	0	0	111	N802 H926	N802-N922 PolarHBondContact ND2-OD1 3.47Å; N802-N922 VanDerWaalsContact ND2-OD1 3.12Å; N922-H926 HydrophobicContact CB-CB 4.13Å
923	T	86.3	Confident	67.3	Low	15 Å²	15	77.3 Å²	77.3	9%	0.092	39%	0.389	C	S	.	.			trans	-70.4	168.7	174.4	57	0	0	0	0	112.4	D751 A921 M925 H926 V927	D751-T923 WeakPolarHBondContact OD2-CG2 3.06Å; D751-T923 PolarHBondContact OD2-OG1 3.29Å; A921-T923 PolarHBondContact O-N 2.87Å; T923-M925 PolarHBondContact O-N 3.33Å; T923-H926 WeakPolarHBondContact O-CB 3.37Å; T923-H926 PolarHBondContact O-N 2.83Å; T923-H926 PolarHBondContact OG1-CE1 3.32Å; T923-H926 PolarHBondContact OG1-ND1 2.97Å; T923-V927 PolarHBondContact O-N 3.48Å
924	T	91.1	Very high	70.3	Confident	8 Å²	8	68.6 Å²	68.6	5%	0.049	34%	0.343	C	S	.	.	H	α-helix	trans	-53.1	-38.6	179.3	-52.6	0	0	0	0	112.2	E768 H926 V927 C928 V935 H940 N971 F972 L992	E768-T924 WeakPolarHBondContact OE1-CB 3.14Å; T924-H926 VanDerWaalsContact C-N 3.3Å; T924-H926 PolarHBondContact O-N 2.68Å; T924-V927 WeakPolarHBondContact O-CA 3.36Å; T924-V927 WeakPolarHBondContact O-CB 3.36Å; T924-V927 PolarHBondContact O-N 3.03Å; T924-C928 PolarHBondContact O-N 2.99Å; T924-C928 PolarHBondContact O-SG 2.75Å; T924-C928 VanDerWaalsContact O-SG 3.41Å; T924-V935 HydrophobicContact CG2-CB 4.33Å; T924-V935 HydrophobicContact CG2-CG1 4.37Å; T924-V935 HydrophobicContact CG2-CG2 4Å; T924-H940 PolarHBondContact OG1-CE1 3.27Å; T924-N971 PolarHBondContact OG1-OD1 3.17Å; T924-F972 HydrophobicContact CG2-CD2 4.15Å; T924-F972 HydrophobicContact CG2-CE2 4.35Å; T924-L992 HydrophobicContact CG2-CD1 3.99Å
925	M	91.6	Very high	73.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-48.5	-45.8	170.8	-173.8	-166.1	-58.6	0	0	113.4	L748 D751 L752 E768 M783 F785 F804 T923 V927 C928 W929	L748-M925 HydrophobicContact CD2-CE 3.38Å; D751-M925 HydrophobicContact CB-CE 3.4Å; D751-M925 VanDerWaalsContact CB-CE 3.4Å; D751-M925 HydrophobicContact CB-SD 4.13Å; L752-M925 HydrophobicContact CD2-CE 4.15Å; L752-M925 HydrophobicContact CD2-SD 4.36Å; L752-M925 HydrophobicContact CG-CE 4.49Å; E768-M925 PolarHBondContact OE1-N 3.46Å; M783-M925 HydrophobicContact CE-CG 3.88Å; F785-M925 HydrophobicContact CE1-CE 3.72Å; F785-M925 HydrophobicContact CE1-CG 3.94Å; F785-M925 HydrophobicContact CE1-SD 4.14Å; F785-M925 HydrophobicContact CZ-CE 3.79Å; F785-M925 HydrophobicContact CZ-CG 3.83Å; F785-M925 HydrophobicContact CZ-SD 3.72Å; F804-M925 HydrophobicContact CD2-CG 4.27Å; F804-M925 HydrophobicContact CD2-SD 3.28Å; F804-M925 WeakPolarHBondContact CD2-SD 3.2Å; F804-M925 HydrophobicContact CE2-CG 3.99Å; F804-M925 HydrophobicContact CE2-SD 3.57Å; F804-M925 VanDerWaalsContact CE2-SD 3.57Å; F804-M925 HydrophobicContact CG-SD 4.1Å; T923-M925 PolarHBondContact O-N 3.33Å; M925-V927 VanDerWaalsContact C-N 3.35Å; M925-C928 WeakPolarHBondContact O-CB 3.49Å; M925-C928 PolarHBondContact O-N 2.75Å; M925-W929 PolarHBondContact O-N 2.82Å
926	H	91.9	Very high	76.9	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-33.1	-179.5	-64.3	80.9	0	0	0	111.8	D751 N802 F804 N922 T923 T924 H930	D751-H926 IonicContact OD2-CE1 2.74Å; N802-H926 PolarHBondContact ND2-NE2 2.8Å; N802-H926 PolarHBondContact O-NE2 2.76Å; N802-H926 VanDerWaalsContact O-NE2 3.15Å; N802-H926 PolarHBondContact OD1-CD2 2.91Å; F804-H926 AromaticContact CE2-CD2 3.9Å; F804-H926 AromaticContact CE2-NE2 3.74Å; N922-H926 HydrophobicContact CB-CB 4.13Å; T923-H926 WeakPolarHBondContact O-CB 3.37Å; T923-H926 PolarHBondContact O-N 2.83Å; T923-H926 PolarHBondContact OG1-CE1 3.32Å; T923-H926 PolarHBondContact OG1-ND1 2.97Å; T924-H926 VanDerWaalsContact C-N 3.3Å; T924-H926 PolarHBondContact O-N 2.68Å; H926-H930 WeakPolarHBondContact O-CB 3.2Å; H926-H930 PolarHBondContact O-CD2 3.3Å; H926-H930 PolarHBondContact O-N 3.03Å
927	V	92.8	Very high	80.1	Confident	17 Å²	17	45.5 Å²	45.5	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-69.9	-42.7	174.5	-172.4	0	0	0	0	110.4	T923 T924 M925 W929 H930 R931 P990 L992	T923-V927 PolarHBondContact O-N 3.48Å; T924-V927 WeakPolarHBondContact O-CA 3.36Å; T924-V927 WeakPolarHBondContact O-CB 3.36Å; T924-V927 PolarHBondContact O-N 3.03Å; M925-V927 VanDerWaalsContact C-N 3.35Å; V927-W929 PolarHBondContact O-N 3.42Å; V927-H930 PolarHBondContact O-N 3.09Å; V927-R931 HydrophobicContact CG1-CG 4.31Å; V927-R931 WeakPolarHBondContact O-CB 3.49Å; V927-R931 WeakPolarHBondContact O-CG 3.5Å; V927-R931 PolarHBondContact O-N 3.48Å; V927-P990 HydrophobicContact CG1-CB 4.1Å; V927-P990 HydrophobicContact CG2-CB 3.89Å; V927-P990 HydrophobicContact CG2-CG 4.18Å; V927-L992 HydrophobicContact CB-CD1 4.16Å; V927-L992 HydrophobicContact CG1-CB 4.09Å; V927-L992 HydrophobicContact CG1-CD1 3.89Å; V927-L992 HydrophobicContact CG1-CG 4.38Å
928	C	94.1	Very high	83.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-46.1	173.9	-68.9	0	0	0	0	112.1	M783 T924 M925 R931 N932 T933	M783-C928 HydrophobicContact CE-CB 4.02Å; T924-C928 PolarHBondContact O-N 2.99Å; T924-C928 PolarHBondContact O-SG 2.75Å; T924-C928 VanDerWaalsContact O-SG 3.41Å; M925-C928 WeakPolarHBondContact O-CB 3.49Å; M925-C928 PolarHBondContact O-N 2.75Å; C928-R931 PolarHBondContact O-N 2.95Å; C928-N932 PolarHBondContact O-N 3.49Å; C928-T933 WeakPolarHBondContact CB-O 3.48Å; C928-T933 PolarHBondContact O-N 3.46Å
929	W	94	Very high	86.2	Confident	24 Å²	24	39.5 Å²	39.5	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-51.4	173.5	175	-107.6	0	0	0	112.4	Q781 M783 F804 M925 V927 R931	Q781-W929 HydrophobicContact CB-CH2 3.95Å; Q781-W929 HydrophobicContact CB-CZ3 4.09Å; Q781-W929 HydrophobicContact CG-CE3 4.11Å; Q781-W929 HydrophobicContact CG-CH2 3.8Å; Q781-W929 HydrophobicContact CG-CZ3 3.55Å; Q781-W929 PolarHBondContact NE2-O 3.18Å; M783-W929 HydrophobicContact CG-CB 4.35Å; M783-W929 HydrophobicContact CG-CD2 4.5Å; M783-W929 HydrophobicContact CG-CE3 3.77Å; M783-W929 HydrophobicContact SD-CB 3.77Å; M783-W929 HydrophobicContact SD-CE3 4Å; F804-W929 HydrophobicContact CE1-CB 4.21Å; F804-W929 AromaticContact CE1-CD2 3.78Å; F804-W929 HydrophobicContact CE1-CD2 3.78Å; F804-W929 AromaticContact CE1-CE3 3.97Å; F804-W929 HydrophobicContact CE1-CE3 3.97Å; F804-W929 AromaticContact CE1-CG 3.88Å; F804-W929 HydrophobicContact CE1-CG 3.88Å; F804-W929 HydrophobicContact CZ-CB 3.83Å; F804-W929 HydrophobicContact CZ-CD2 4.22Å; F804-W929 AromaticContact CZ-CG 3.81Å; F804-W929 HydrophobicContact CZ-CG 3.81Å; M925-W929 PolarHBondContact O-N 2.82Å; V927-W929 PolarHBondContact O-N 3.42Å; W929-R931 VanDerWaalsContact C-N 3.27Å; W929-R931 PolarHBondContact O-N 2.94Å
930	H	91.7	Very high	88.9	Confident	122 Å²	122	32.8 Å²	32.8	57%	0.565	18%	0.176	S	C	*	.	H	α-helix	trans	-75.8	-8.6	-176.9	-72.1	-54.9	0	0	0	115	H926 V927	H926-H930 WeakPolarHBondContact O-CB 3.2Å; H926-H930 PolarHBondContact O-CD2 3.3Å; H926-H930 PolarHBondContact O-N 3.03Å; V927-H930 PolarHBondContact O-N 3.09Å
931	R	91.9	Very high	90.7	Very high	53 Å²	53	31.9 Å²	31.9	20%	0.2	18%	0.179	C	C	.	.	H	α-helix	trans	-120.5	0.9	-179	-58.3	-170.9	-172.9	176.7	5.3	114.8	V927 C928 W929 T933 P990 L992 F1015	V927-R931 HydrophobicContact CG1-CG 4.31Å; V927-R931 WeakPolarHBondContact O-CB 3.49Å; V927-R931 WeakPolarHBondContact O-CG 3.5Å; V927-R931 PolarHBondContact O-N 3.48Å; C928-R931 PolarHBondContact O-N 2.95Å; W929-R931 VanDerWaalsContact C-N 3.27Å; W929-R931 PolarHBondContact O-N 2.94Å; R931-T933 HydrophobicContact CB-CG2 4.11Å; R931-P990 VanDerWaalsContact CZ-O 3.27Å; R931-P990 PolarHBondContact NH1-O 3.17Å; R931-P990 PolarHBondContact NH2-O 3.48Å; R931-L992 WeakPolarHBondContact CD-O 3.49Å; R931-L992 PolarHBondContact NH1-O 3.26Å; R931-F1015 HydrophobicContact CB-CZ 4.47Å; R931-F1015 HydrophobicContact CG-CE1 4.48Å; R931-F1015 HydrophobicContact CG-CZ 3.87Å
932	N	91.8	Very high	92.4	Very high	47 Å²	47	31.6 Å²	31.6	25%	0.251	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	49.6	-179.6	-54.2	-38.5	0	0	0	112.9	Y772 Q781 S851 C928	Y772-N932 VanDerWaalsContact OH-CG 3.31Å; Y772-N932 PolarHBondContact OH-ND2 3.29Å; Y772-N932 VanDerWaalsContact OH-ND2 3.09Å; Y772-N932 PolarHBondContact OH-OD1 3.11Å; Q781-N932 PolarHBondContact NE2-OD1 3.36Å; S851-N932 VanDerWaalsContact CB-O 3.29Å; S851-N932 WeakPolarHBondContact CB-O 3.26Å; S851-N932 PolarHBondContact OG-O 3.29Å; C928-N932 PolarHBondContact O-N 3.49Å
933	T	94	Very high	93.3	Very high	16 Å²	16	26.6 Å²	26.6	10%	0.098	14%	0.141	C	C	.	.			trans	-136	177.8	-176.8	-168.9	0	0	0	0	110.9	G769 C770 C928 R931 L992	G769-T933 VanDerWaalsContact CA-O 3.29Å; G769-T933 WeakPolarHBondContact CA-O 3.46Å; C770-T933 PolarHBondContact N-O 2.79Å; C928-T933 WeakPolarHBondContact CB-O 3.48Å; C928-T933 PolarHBondContact O-N 3.46Å; R931-T933 HydrophobicContact CB-CG2 4.11Å; T933-L992 HydrophobicContact CG2-CB 4.42Å
934	S	95.9	Very high	93.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.1	-179.2	64	0	0	0	0	112.6	R767 E768 E855	R767-S934 PolarHBondContact NH1-OG 3.36Å; E768-S934 CarbonylContact O-C 3.56Å; E768-S934 WeakPolarHBondContact O-CA 3.38Å; E768-S934 VanDerWaalsContact O-CB 3.3Å; E768-S934 WeakPolarHBondContact O-CB 3.4Å; E855-S934 WeakPolarHBondContact OE2-CB 3.2Å; E855-S934 PolarHBondContact OE2-N 3Å; E855-S934 PolarHBondContact OE2-OG 2.93Å
935	V	96.6	Very high	93.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.4	178.5	174.6	0	0	0	0	108	E768 T924 D939 H940 F972 L992	E768-V935 HydrophobicContact CG-CB 4.46Å; E768-V935 PolarHBondContact N-O 3.02Å; E768-V935 PolarHBondContact O-N 3.13Å; T924-V935 HydrophobicContact CG2-CB 4.33Å; T924-V935 HydrophobicContact CG2-CG1 4.37Å; T924-V935 HydrophobicContact CG2-CG2 4Å; V935-D939 HydrophobicContact CG1-CB 4.08Å; V935-H940 VanDerWaalsContact CG1-CD2 3.49Å; V935-H940 WeakPolarHBondContact CG1-CD2 3.38Å; V935-H940 WeakPolarHBondContact CG1-NE2 3.48Å; V935-F972 HydrophobicContact CG1-CE1 4.28Å; V935-F972 HydrophobicContact CG1-CE2 3.79Å; V935-F972 HydrophobicContact CG1-CZ 3.49Å; V935-F972 VanDerWaalsContact CG1-CZ 3.49Å; V935-L992 HydrophobicContact CG2-CD1 3.68Å; V935-L992 HydrophobicContact CG2-CD2 3.7Å; V935-L992 HydrophobicContact CG2-CG 4.37Å
936	S	96.9	Very high	93.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	167.9	174.8	61.8	0	0	0	0	113.1	I766 R767 S938 D939 H940 R1046	I766-S936 CarbonylContact O-C 3.43Å; I766-S936 WeakPolarHBondContact O-CA 3.44Å; I766-S936 WeakPolarHBondContact O-CB 3.42Å; R767-S936 PolarHBondContact NH2-OG 3Å; S936-S938 VanDerWaalsContact C-N 3.26Å; S936-S938 PolarHBondContact O-N 3.22Å; S936-S938 PolarHBondContact OG-OG 3.37Å; S936-D939 WeakPolarHBondContact CB-OD2 3.35Å; S936-D939 PolarHBondContact N-OD2 2.94Å; S936-D939 WeakPolarHBondContact O-CB 3.48Å; S936-D939 PolarHBondContact O-N 3.09Å; S936-D939 PolarHBondContact OG-N 3.22Å; S936-D939 PolarHBondContact OG-OD2 3.38Å; S936-H940 PolarHBondContact O-N 2.77Å; S936-R1046 PolarHBondContact OG-NH2 2.63Å
937	M	95.1	Very high	94	Very high	34 Å²	34	33.5 Å²	33.5	17%	0.167	17%	0.174	C	C	.	.	H	α-helix	trans	-58.2	-39.5	175.8	-166.8	62	-171.3	0	0	112	E740 F765 I766 D939 H940 S941	E740-M937 HydrophobicContact CB-CE 3.49Å; E740-M937 VanDerWaalsContact CB-CE 3.49Å; F765-M937 HydrophobicContact CD1-CB 3.95Å; F765-M937 HydrophobicContact CD1-CG 4.41Å; F765-M937 HydrophobicContact CD1-SD 3.81Å; F765-M937 HydrophobicContact CE1-CB 4.36Å; F765-M937 WeakPolarHBondContact O-CB 3.39Å; I766-M937 PolarHBondContact O-N 3.37Å; M937-D939 VanDerWaalsContact C-N 3.32Å; M937-D939 PolarHBondContact O-N 3.02Å; M937-H940 WeakPolarHBondContact O-CB 3.38Å; M937-H940 PolarHBondContact O-N 3.03Å; M937-H940 VanDerWaalsContact O-N 3.14Å; M937-S941 PolarHBondContact O-N 3.24Å; M937-S941 PolarHBondContact O-OG 3.27Å
938	S	93.8	Very high	94.3	Very high	65 Å²	65	33 Å²	33	46%	0.455	17%	0.171	S	C	.	.	H	α-helix	trans	-68.7	-27.7	174.6	35.4	0	0	0	0	113.4	S936 L942 R1046	S936-S938 VanDerWaalsContact C-N 3.26Å; S936-S938 PolarHBondContact O-N 3.22Å; S936-S938 PolarHBondContact OG-OG 3.37Å; S938-L942 WeakPolarHBondContact O-CB 3.3Å; S938-L942 PolarHBondContact O-N 2.94Å; S938-L942 VanDerWaalsContact O-N 3.12Å; S938-R1046 PolarHBondContact OG-NH2 3.35Å
939	D	95.1	Very high	94.5	Very high	18 Å²	18	33.2 Å²	33.2	10%	0.096	17%	0.173	C	C	.	.	H	α-helix	trans	-72.4	-34.9	170.1	-52.5	-42.8	0	0	0	110.9	R767 V935 S936 M937 A943 F972 R1046	R767-D939 IonicContact NH1-OD2 3.61Å; V935-D939 HydrophobicContact CG1-CB 4.08Å; S936-D939 WeakPolarHBondContact CB-OD2 3.35Å; S936-D939 PolarHBondContact N-OD2 2.94Å; S936-D939 WeakPolarHBondContact O-CB 3.48Å; S936-D939 PolarHBondContact O-N 3.09Å; S936-D939 PolarHBondContact OG-N 3.22Å; S936-D939 PolarHBondContact OG-OD2 3.38Å; M937-D939 VanDerWaalsContact C-N 3.32Å; M937-D939 PolarHBondContact O-N 3.02Å; D939-A943 WeakPolarHBondContact O-CB 3.48Å; D939-A943 PolarHBondContact O-N 2.87Å; D939-F972 HydrophobicContact CB-CE1 4.35Å; D939-F972 HydrophobicContact CB-CZ 4.23Å; D939-F972 VanDerWaalsContact O-CZ 3.3Å; D939-F972 WeakPolarHBondContact O-CZ 3.44Å; D939-R1046 IonicContact OD1-CZ 3.36Å; D939-R1046 IonicContact OD1-NE 2.61Å; D939-R1046 IonicContact OD1-NH2 3.17Å; D939-R1046 PolarHBondContact OD1-NH2 2.89Å; D939-R1046 IonicContact OD2-NH2 2.72Å
940	H	94.1	Very high	94.6	Very high	28 Å²	28	32.4 Å²	32.4	13%	0.13	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-50.2	172.8	-88.9	-82.9	0	0	0	111.5	K744 E768 T924 V935 S936 M937 L942 A943 V944 N971 F972	K744-H940 WeakPolarHBondContact CE-NE2 3.45Å; K744-H940 PolarHBondContact NZ-NE2 3.02Å; K744-H940 VanDerWaalsContact NZ-NE2 3.2Å; E768-H940 IonicContact OE1-NE2 3.74Å; E768-H940 PolarHBondContact OE1-NE2 2.75Å; T924-H940 PolarHBondContact OG1-CE1 3.27Å; V935-H940 VanDerWaalsContact CG1-CD2 3.49Å; V935-H940 WeakPolarHBondContact CG1-CD2 3.38Å; V935-H940 WeakPolarHBondContact CG1-NE2 3.48Å; S936-H940 PolarHBondContact O-N 2.77Å; M937-H940 WeakPolarHBondContact O-CB 3.38Å; M937-H940 PolarHBondContact O-N 3.03Å; M937-H940 VanDerWaalsContact O-N 3.14Å; H940-L942 VanDerWaalsContact C-N 3.35Å; H940-L942 PolarHBondContact O-N 2.61Å; H940-A943 CarbonylContact O-C 3.59Å; H940-A943 WeakPolarHBondContact O-CB 3.39Å; H940-A943 PolarHBondContact O-N 3.38Å; H940-A943 VanDerWaalsContact O-N 3.09Å; H940-V944 PolarHBondContact O-N 2.8Å; H940-N971 PolarHBondContact CE1-OD1 2.67Å; H940-N971 VanDerWaalsContact CE1-OD1 3.29Å; H940-F972 AromaticContact ND1-CE2 3.71Å
941	S	93.1	Very high	95	Very high	37 Å²	37	29.8 Å²	29.8	26%	0.259	16%	0.157	S	C	.	.	H	α-helix	trans	-61.5	-40.9	177.6	-55.8	0	0	0	0	112	E740 M937 A943 V944 E945	E740-S941 PolarHBondContact OE2-OG 3.34Å; M937-S941 PolarHBondContact O-N 3.24Å; M937-S941 PolarHBondContact O-OG 3.27Å; S941-A943 VanDerWaalsContact C-N 3.28Å; S941-A943 PolarHBondContact O-N 2.94Å; S941-V944 WeakPolarHBondContact O-CA 3.12Å; S941-V944 WeakPolarHBondContact O-CB 3.39Å; S941-V944 PolarHBondContact O-N 3.29Å; S941-E945 WeakPolarHBondContact O-CG 3.47Å; S941-E945 PolarHBondContact O-N 3.48Å
942	L	93.5	Very high	95.2	Very high	64 Å²	64	27.4 Å²	27.4	34%	0.335	15%	0.148	S	C	.	.	H	α-helix	trans	-62.2	-33.9	174.3	-175.9	64.6	0	0	0	112.7	S938 H940 N946	S938-L942 WeakPolarHBondContact O-CB 3.3Å; S938-L942 PolarHBondContact O-N 2.94Å; S938-L942 VanDerWaalsContact O-N 3.12Å; H940-L942 VanDerWaalsContact C-N 3.35Å; H940-L942 PolarHBondContact O-N 2.61Å; L942-N946 WeakPolarHBondContact CD1-ND2 3.44Å; L942-N946 WeakPolarHBondContact O-CB 3.33Å; L942-N946 PolarHBondContact O-N 3.18Å; L942-N946 PolarHBondContact O-ND2 3.45Å
943	A	93.4	Very high	95.4	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-75.5	-21.4	173.7	0	0	0	0	0	113.4	D939 H940 S941 F972	D939-A943 WeakPolarHBondContact O-CB 3.48Å; D939-A943 PolarHBondContact O-N 2.87Å; H940-A943 CarbonylContact O-C 3.59Å; H940-A943 WeakPolarHBondContact O-CB 3.39Å; H940-A943 PolarHBondContact O-N 3.38Å; H940-A943 VanDerWaalsContact O-N 3.09Å; S941-A943 VanDerWaalsContact C-N 3.28Å; S941-A943 PolarHBondContact O-N 2.94Å; A943-F972 HydrophobicContact CB-CD1 4.1Å; A943-F972 HydrophobicContact CB-CD2 4.43Å; A943-F972 HydrophobicContact CB-CE1 3.76Å; A943-F972 HydrophobicContact CB-CE2 4.11Å; A943-F972 HydrophobicContact CB-CG 4.42Å; A943-F972 HydrophobicContact CB-CZ 3.76Å
944	V	91.7	Very high	95.5	Very high	33 Å²	33	28.3 Å²	28.3	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-76.1	-46.2	171.7	164	0	0	0	0	111.1	Q692 H940 S941 N946 Q947	Q692-V944 HydrophobicContact CB-CG1 4.04Å; Q692-V944 VanDerWaalsContact CD-CG1 3.42Å; Q692-V944 HydrophobicContact CG-CG1 3.62Å; H940-V944 PolarHBondContact O-N 2.8Å; S941-V944 WeakPolarHBondContact O-CA 3.12Å; S941-V944 WeakPolarHBondContact O-CB 3.39Å; S941-V944 PolarHBondContact O-N 3.29Å; V944-N946 VanDerWaalsContact C-N 3.27Å; V944-N946 PolarHBondContact O-N 3.34Å; V944-Q947 VanDerWaalsContact O-CG 3.3Å; V944-Q947 WeakPolarHBondContact O-CG 3.38Å; V944-Q947 PolarHBondContact O-N 3.19Å; V944-Q947 PolarHBondContact O-NE2 2.72Å; V944-Q947 VanDerWaalsContact O-NE2 3.14Å
945	E	93.2	Very high	95.3	Very high	92 Å²	92	30.2 Å²	30.2	43%	0.43	16%	0.158	S	C	.	.	H	α-helix	trans	-58.4	-40.6	175.2	-69.4	173.7	177.2	0	0	111.8	H696 L699 S941 Q947	H696-E945 PolarHBondContact ND1-O 3.41Å; L699-E945 HydrophobicContact CD1-CB 3.86Å; L699-E945 HydrophobicContact CD1-CG 4.07Å; S941-E945 WeakPolarHBondContact O-CG 3.47Å; S941-E945 PolarHBondContact O-N 3.48Å; E945-Q947 VanDerWaalsContact C-N 3.33Å; E945-Q947 PolarHBondContact O-N 3.23Å
946	N	95.1	Very high	94.9	Very high	18 Å²	18	34.4 Å²	34.4	10%	0.096	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	16.2	-177.8	-73.8	-66.2	0	0	0	114.7	L942 V944 L948 F969 V1036 S1039	L942-N946 WeakPolarHBondContact CD1-ND2 3.44Å; L942-N946 WeakPolarHBondContact O-CB 3.33Å; L942-N946 PolarHBondContact O-N 3.18Å; L942-N946 PolarHBondContact O-ND2 3.45Å; V944-N946 VanDerWaalsContact C-N 3.27Å; V944-N946 PolarHBondContact O-N 3.34Å; N946-L948 PolarHBondContact O-N 3.02Å; N946-F969 HydrophobicContact CB-CE1 4.38Å; N946-F969 WeakPolarHBondContact O-CD1 3.22Å; N946-F969 VanDerWaalsContact O-CE1 3.27Å; N946-F969 WeakPolarHBondContact O-CE1 3.29Å; N946-V1036 HydrophobicContact CB-CB 3.95Å; N946-V1036 HydrophobicContact CB-CG1 3.95Å; N946-V1036 WeakPolarHBondContact O-CB 3.44Å; N946-V1036 WeakPolarHBondContact O-CG1 3.47Å; N946-S1039 PolarHBondContact ND2-OG 3.35Å
947	Q	96.4	Very high	94.1	Very high	29 Å²	29	38.7 Å²	38.7	14%	0.136	20%	0.195	C	C	.	.			trans	-55	135.7	170.9	-76.2	179.4	81.3	0	0	111	H696 V944 E945 F969 T970	H696-Q947 PolarHBondContact CE1-O 3.34Å; V944-Q947 VanDerWaalsContact O-CG 3.3Å; V944-Q947 WeakPolarHBondContact O-CG 3.38Å; V944-Q947 PolarHBondContact O-N 3.19Å; V944-Q947 PolarHBondContact O-NE2 2.72Å; V944-Q947 VanDerWaalsContact O-NE2 3.14Å; E945-Q947 VanDerWaalsContact C-N 3.33Å; E945-Q947 PolarHBondContact O-N 3.23Å; Q947-F969 WeakPolarHBondContact CA-O 3.15Å; Q947-T970 PolarHBondContact OE1-OG1 2.87Å; Q947-T970 VanDerWaalsContact OE1-OG1 3.04Å
948	L	98.2	Very high	93.2	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.2	-177.5	-171.6	58.9	0	0	0	110.9	E551 T555 N946 F969 R1032 W1033 V1036	E551-L948 HydrophobicContact CG-CD1 3.6Å; T555-L948 HydrophobicContact CG2-CD1 4.47Å; N946-L948 PolarHBondContact O-N 3.02Å; L948-F969 HydrophobicContact CB-CB 4.4Å; L948-F969 HydrophobicContact CB-CD1 4.48Å; L948-F969 PolarHBondContact N-O 3.14Å; L948-F969 VanDerWaalsContact N-O 3.09Å; L948-F969 PolarHBondContact O-N 3.25Å; L948-R1032 HydrophobicContact CD1-CG 4.46Å; L948-R1032 HydrophobicContact CD2-CG 4.12Å; L948-W1033 HydrophobicContact CD2-CD2 3.52Å; L948-W1033 HydrophobicContact CD2-CE3 3.82Å; L948-W1033 HydrophobicContact CD2-CG 3.85Å; L948-W1033 HydrophobicContact CD2-CH2 4.46Å; L948-W1033 HydrophobicContact CD2-CZ2 4.2Å; L948-W1033 HydrophobicContact CD2-CZ3 4.29Å; L948-W1033 HydrophobicContact CG-CD2 4.33Å; L948-W1033 HydrophobicContact CG-CH2 4.32Å; L948-W1033 HydrophobicContact CG-CZ2 4.11Å; L948-V1036 HydrophobicContact CB-CG1 4.47Å; L948-V1036 HydrophobicContact CB-CG2 4Å; L948-V1036 HydrophobicContact CD2-CG1 4.27Å; L948-V1036 HydrophobicContact CD2-CG2 3.56Å; L948-V1036 HydrophobicContact CG-CG2 4.43Å
949	S	98.4	Very high	92.5	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	146.1	174.1	-67.3	0	0	0	0	111.2	T554 T558 V967	T554-S949 WeakPolarHBondContact CB-O 3.46Å; T554-S949 WeakPolarHBondContact O-CB 3.35Å; T554-S949 PolarHBondContact OG1-O 3.2Å; T558-S949 WeakPolarHBondContact CB-OG 3.47Å; T558-S949 WeakPolarHBondContact OG1-CB 3.43Å; T558-S949 PolarHBondContact OG1-OG 3.47Å; S949-V967 VanDerWaalsContact CA-O 3.31Å; S949-V967 WeakPolarHBondContact CA-O 3.46Å
950	G	97.9	Very high	91.2	Very high	6 Å²	6	48 Å²	48	6%	0.062	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.1	177.2	179.3	0	0	0	0	0	113.7	W966 V967	G950-W966 VanDerWaalsContact C-CE3 3.48Å; G950-V967 PolarHBondContact N-O 2.93Å; G950-V967 PolarHBondContact O-N 3.01Å
951	Y	98.1	Very high	90.6	Very high	68 Å²	68	49 Å²	49	27%	0.267	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.1	172.8	-79.8	-71.3	0	0	0	111.4	K964 L965 W966 H980	Y951-K964 HydrophobicContact CD1-CD 4.39Å; Y951-K964 HydrophobicContact CD1-CG 4.06Å; Y951-L965 WeakPolarHBondContact CA-O 3.44Å; Y951-L965 WeakPolarHBondContact CD1-O 3.25Å; Y951-W966 HydrophobicContact CD1-CB 4.27Å; Y951-W966 HydrophobicContact CD1-CE3 4.34Å; Y951-W966 AromaticContact CD2-CE3 3.85Å; Y951-W966 HydrophobicContact CD2-CE3 3.85Å; Y951-W966 HydrophobicContact CD2-CZ3 4.11Å; Y951-W966 HydrophobicContact CE1-CB 3.96Å; Y951-W966 HydrophobicContact CE1-CE3 4.34Å; Y951-W966 AromaticContact CE2-CE3 3.88Å; Y951-W966 HydrophobicContact CE2-CE3 3.88Å; Y951-W966 HydrophobicContact CE2-CZ3 4.18Å; Y951-W966 HydrophobicContact CG-CE3 4.09Å; Y951-H980 AromaticContact CE2-CD2 3.94Å; Y951-H980 PolarHBondContact OH-CD2 3.42Å; Y951-H980 PolarHBondContact OH-N 3.3Å
952	L	97.6	Very high	90.5	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.7	168.8	-68.9	176.3	0	0	0	110.4	L965 V967 F1011 F1022 A1024 W1033	L952-L965 PolarHBondContact N-O 3.49Å; L952-L965 PolarHBondContact O-N 3.45Å; L952-V967 HydrophobicContact CB-CG2 3.9Å; L952-V967 HydrophobicContact CD1-CB 4.3Å; L952-V967 HydrophobicContact CD1-CG2 4.12Å; L952-V967 HydrophobicContact CG-CG2 4.27Å; L952-F1011 HydrophobicContact CD1-CE1 4.36Å; L952-F1011 HydrophobicContact CD1-CZ 4Å; L952-F1011 HydrophobicContact CD2-CE1 4.41Å; L952-F1022 HydrophobicContact CB-CD1 4.25Å; L952-F1022 HydrophobicContact CD1-CB 4.34Å; L952-F1022 HydrophobicContact CD1-CD1 3.97Å; L952-F1022 HydrophobicContact CD1-CG 4.44Å; L952-A1024 HydrophobicContact CD2-CB 4.1Å; L952-W1033 HydrophobicContact CD1-CD2 3.79Å; L952-W1033 HydrophobicContact CD1-CE3 4.06Å; L952-W1033 HydrophobicContact CD1-CG 4.26Å; L952-W1033 HydrophobicContact CD1-CH2 4.28Å; L952-W1033 HydrophobicContact CD1-CZ2 4.02Å; L952-W1033 HydrophobicContact CD1-CZ3 4.28Å; L952-W1033 HydrophobicContact CD2-CD2 4.44Å; L952-W1033 HydrophobicContact CD2-CG 4.2Å; L952-W1033 HydrophobicContact CG-CD2 4.39Å; L952-W1033 HydrophobicContact CG-CZ2 4.25Å
953	L	96.5	Very high	90.5	Very high	50 Å²	50	51.5 Å²	51.5	26%	0.262	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.1	166.9	-74.6	161.7	0	0	0	108.6	W962 Q963 K964 F1022 R1023	L953-W962 HydrophobicContact CB-CB 4.44Å; L953-W962 HydrophobicContact CB-CE3 3.93Å; L953-W962 HydrophobicContact CD2-CB 4.22Å; L953-W962 WeakPolarHBondContact O-CZ3 3.35Å; L953-Q963 CarbonylContact C-O 3.56Å; L953-Q963 WeakPolarHBondContact CA-O 3.43Å; L953-K964 HydrophobicContact CD2-CB 3.82Å; L953-K964 HydrophobicContact CD2-CG 4.46Å; L953-F1022 CarbonylContact O-C 3.59Å; L953-F1022 VanDerWaalsContact O-CA 3.3Å; L953-F1022 WeakPolarHBondContact O-CA 3.46Å; L953-R1023 HydrophobicContact CB-CB 4.06Å; L953-R1023 PolarHBondContact N-O 3.32Å; L953-R1023 PolarHBondContact O-N 3.07Å
954	R	95.5	Very high	90.6	Very high	31 Å²	31	57.7 Å²	57.7	12%	0.117	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.7	179.3	-175.1	-178.2	67.9	-178.8	0.1	112	Q963 L965 F1021 F1022	R954-Q963 PolarHBondContact N-O 3.31Å; R954-Q963 PolarHBondContact O-N 3.02Å; R954-L965 HydrophobicContact CB-CD1 4.09Å; R954-L965 VanDerWaalsContact CZ-CD1 3.46Å; R954-F1021 CarbonylContact C-O 3.56Å; R954-F1021 WeakPolarHBondContact CA-O 3.28Å; R954-F1022 HydrophobicContact CB-CD1 3.99Å; R954-F1022 HydrophobicContact CB-CE1 3.74Å; R954-F1022 HydrophobicContact CB-CZ 4.48Å; R954-F1022 HydrophobicContact CG-CD1 4.1Å; R954-F1022 HydrophobicContact CG-CE1 3.53Å; R954-F1022 HydrophobicContact CG-CZ 3.78Å
955	K	91.7	Very high	90.9	Very high	41 Å²	41	56.2 Å²	56.2	18%	0.178	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.1	169.4	168.4	164.3	172.1	151.7	0	110.2	S959 N960 W962 F1021	K955-S959 WeakPolarHBondContact CE-O 3.25Å; K955-S959 PolarHBondContact NZ-O 3.34Å; K955-N960 PolarHBondContact NZ-O 2.88Å; K955-W962 HydrophobicContact CB-CD2 3.68Å; K955-W962 HydrophobicContact CB-CE3 3.52Å; K955-W962 HydrophobicContact CB-CG 4.31Å; K955-W962 HydrophobicContact CB-CH2 4.11Å; K955-W962 HydrophobicContact CB-CZ2 4.25Å; K955-W962 HydrophobicContact CB-CZ3 3.75Å; K955-W962 HydrophobicContact CD-CD2 4.27Å; K955-W962 HydrophobicContact CD-CZ2 4.14Å; K955-F1021 HydrophobicContact CB-CB 4.39Å; K955-F1021 PolarHBondContact N-O 2.9Å; K955-F1021 PolarHBondContact O-N 2.88Å
956	F	88.3	Confident	91.1	Very high	89 Å²	89	52.3 Å²	52.3	39%	0.39	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	152.9	167.8	-57.7	-98.8	0	0	0	109.3	N958 S959 Y1020	F956-N958 PolarHBondContact O-N 3.3Å; F956-S959 PolarHBondContact N-OG 2.83Å; F956-S959 PolarHBondContact O-N 3.45Å; F956-S959 PolarHBondContact O-OG 3.4Å; F956-S959 VanDerWaalsContact O-OG 3.06Å; F956-Y1020 AromaticContact CD1-CD1 3.93Å; F956-Y1020 HydrophobicContact CD1-CD1 3.93Å; F956-Y1020 AromaticContact CD1-CE1 3.94Å; F956-Y1020 HydrophobicContact CD1-CE1 3.94Å; F956-Y1020 AromaticContact CE1-CD1 3.89Å; F956-Y1020 HydrophobicContact CE1-CD1 3.89Å; F956-Y1020 AromaticContact CE1-CE1 3.58Å; F956-Y1020 HydrophobicContact CE1-CE1 3.58Å
957	K	79.4	Confident	91.3	Very high	91 Å²	91	51.5 Å²	51.5	40%	0.396	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-34.5	-180	-174.1	155.4	-178.5	151.2	0	113.9	S1002 D1003 V1019 F1021	K957-S1002 PolarHBondContact NZ-O 3.21Å; K957-D1003 IonicContact NZ-OD1 2.76Å; K957-D1003 PolarHBondContact NZ-OD1 3.05Å; K957-V1019 HydrophobicContact CB-CB 4.18Å; K957-V1019 HydrophobicContact CB-CG1 4.37Å; K957-V1019 HydrophobicContact CD-CG1 4.44Å; K957-F1021 HydrophobicContact CB-CE2 3.86Å; K957-F1021 HydrophobicContact CG-CE2 4.27Å
958	N	75.5	Confident	91.4	Very high	144 Å²	144	50.2 Å²	50.2	77%	0.77	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	27.4	-178.8	-55.6	-18.7	0	0	0	113.4	F956	F956-N958 PolarHBondContact O-N 3.3Å
959	S	80.9	Confident	91.4	Very high	22 Å²	22	50 Å²	50	15%	0.154	25%	0.251	C	S	.	.			trans	-120.6	134	176.4	67.2	0	0	0	0	112.3	K955 F956	K955-S959 WeakPolarHBondContact CE-O 3.25Å; K955-S959 PolarHBondContact NZ-O 3.34Å; F956-S959 PolarHBondContact N-OG 2.83Å; F956-S959 PolarHBondContact O-N 3.45Å; F956-S959 PolarHBondContact O-OG 3.4Å; F956-S959 VanDerWaalsContact O-OG 3.06Å
960	N	66.2	Low	91.2	Very high	147 Å²	147	50 Å²	50	79%	0.786	25%	0.25	S	S	*	.	S	Bend	trans	-69.3	-43	-172.6	-61.5	-7.5	0	0	0	112.5	K955	K955-N960 PolarHBondContact NZ-O 2.88Å
961	G	81.5	Confident	90.9	Very high	50 Å²	50	51.3 Å²	51.3	52%	0.515	26%	0.256	S	S	.	.	S	Bend	trans	-91.4	165.3	-176.5	0	0	0	0	0	116.1
962	W	91.6	Very high	90.8	Very high	65 Å²	65	48.5 Å²	48.5	25%	0.246	25%	0.245	C	C	.	.			trans	-101.7	134.8	166.9	-70	89.6	0	0	0	109.8	L953 K955 I1005 V1010 F1021 R1023	L953-W962 HydrophobicContact CB-CB 4.44Å; L953-W962 HydrophobicContact CB-CE3 3.93Å; L953-W962 HydrophobicContact CD2-CB 4.22Å; L953-W962 WeakPolarHBondContact O-CZ3 3.35Å; K955-W962 HydrophobicContact CB-CD2 3.68Å; K955-W962 HydrophobicContact CB-CE3 3.52Å; K955-W962 HydrophobicContact CB-CG 4.31Å; K955-W962 HydrophobicContact CB-CH2 4.11Å; K955-W962 HydrophobicContact CB-CZ2 4.25Å; K955-W962 HydrophobicContact CB-CZ3 3.75Å; K955-W962 HydrophobicContact CD-CD2 4.27Å; K955-W962 HydrophobicContact CD-CZ2 4.14Å; W962-I1005 HydrophobicContact CZ2-CG2 4.09Å; W962-V1010 HydrophobicContact CH2-CG1 3.86Å; W962-V1010 HydrophobicContact CH2-CG2 3.76Å; W962-V1010 HydrophobicContact CZ2-CG2 4.19Å; W962-F1021 HydrophobicContact CH2-CB 3.95Å; W962-F1021 HydrophobicContact CZ3-CB 4.19Å; W962-R1023 HydrophobicContact CE3-CB 4.29Å; W962-R1023 HydrophobicContact CH2-CB 4.15Å; W962-R1023 HydrophobicContact CZ3-CB 3.82Å
963	Q	93.1	Very high	90.7	Very high	88 Å²	88	48.8 Å²	48.8	41%	0.411	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.2	-179.7	-173	-175.1	16.5	0	0	110.2	L953 R954 L965	L953-Q963 CarbonylContact C-O 3.56Å; L953-Q963 WeakPolarHBondContact CA-O 3.43Å; R954-Q963 PolarHBondContact N-O 3.31Å; R954-Q963 PolarHBondContact O-N 3.02Å; Q963-L965 HydrophobicContact CG-CD1 4.39Å; Q963-L965 HydrophobicContact CG-CD2 4.17Å; Q963-L965 HydrophobicContact CG-CG 4.04Å; Q963-L965 PolarHBondContact O-N 3.2Å
964	K	96.3	Very high	90.7	Very high	133 Å²	133	46.4 Å²	46.4	58%	0.578	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.8	170.9	-169.6	175.9	179.8	178.4	0	109.5	Y951 L953	Y951-K964 HydrophobicContact CD1-CD 4.39Å; Y951-K964 HydrophobicContact CD1-CG 4.06Å; L953-K964 HydrophobicContact CD2-CB 3.82Å; L953-K964 HydrophobicContact CD2-CG 4.46Å
965	L	96.9	Very high	90.8	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.5	-179.8	-68.4	168.7	0	0	0	109.4	Y951 L952 R954 Q963 V967 F976 Y977 L986	Y951-L965 WeakPolarHBondContact CA-O 3.44Å; Y951-L965 WeakPolarHBondContact CD1-O 3.25Å; L952-L965 PolarHBondContact N-O 3.49Å; L952-L965 PolarHBondContact O-N 3.45Å; R954-L965 HydrophobicContact CB-CD1 4.09Å; R954-L965 VanDerWaalsContact CZ-CD1 3.46Å; Q963-L965 HydrophobicContact CG-CD1 4.39Å; Q963-L965 HydrophobicContact CG-CD2 4.17Å; Q963-L965 HydrophobicContact CG-CG 4.04Å; Q963-L965 PolarHBondContact O-N 3.2Å; L965-V967 HydrophobicContact CB-CG2 4.21Å; L965-F976 HydrophobicContact CD1-CB 4.28Å; L965-F976 HydrophobicContact CD1-CD1 4.08Å; L965-F976 HydrophobicContact CD1-CG 4.36Å; L965-Y977 WeakPolarHBondContact CD2-O 3.36Å; L965-L986 HydrophobicContact CD2-CD1 4.2Å
966	W	98.3	Very high	91.1	Very high	9 Å²	9	44 Å²	44	3%	0.034	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.5	158.7	178.2	-104.6	0	0	0	108	T554 R557 G950 Y951 Y977 T979 H980	T554-W966 HydrophobicContact CG2-CH2 3.81Å; T554-W966 HydrophobicContact CG2-CZ3 3.91Å; T554-W966 WeakPolarHBondContact O-CH2 3.22Å; T554-W966 VanDerWaalsContact O-CZ2 3.29Å; T554-W966 WeakPolarHBondContact O-CZ2 3.44Å; R557-W966 HydrophobicContact CB-CZ2 4.39Å; G950-W966 VanDerWaalsContact C-CE3 3.48Å; Y951-W966 HydrophobicContact CD1-CB 4.27Å; Y951-W966 HydrophobicContact CD1-CE3 4.34Å; Y951-W966 AromaticContact CD2-CE3 3.85Å; Y951-W966 HydrophobicContact CD2-CE3 3.85Å; Y951-W966 HydrophobicContact CD2-CZ3 4.11Å; Y951-W966 HydrophobicContact CE1-CB 3.96Å; Y951-W966 HydrophobicContact CE1-CE3 4.34Å; Y951-W966 AromaticContact CE2-CE3 3.88Å; Y951-W966 HydrophobicContact CE2-CE3 3.88Å; Y951-W966 HydrophobicContact CE2-CZ3 4.18Å; Y951-W966 HydrophobicContact CG-CE3 4.09Å; W966-Y977 AromaticContact CD1-CD2 3.87Å; W966-Y977 PolarHBondContact N-O 2.86Å; W966-Y977 PolarHBondContact O-N 3.12Å; W966-T979 WeakPolarHBondContact CB-O 3.28Å; W966-H980 HydrophobicContact CD2-CB 3.52Å; W966-H980 HydrophobicContact CE3-CB 3.69Å; W966-H980 HydrophobicContact CG-CB 3.99Å; W966-H980 HydrophobicContact CH2-CB 3.94Å; W966-H980 HydrophobicContact CZ2-CB 3.85Å; W966-H980 HydrophobicContact CZ3-CB 3.89Å
967	V	98.6	Very high	91.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.3	-175.7	-169.2	0	0	0	0	108.6	S949 G950 L952 L965 L974 F975 F976 W1033	S949-V967 VanDerWaalsContact CA-O 3.31Å; S949-V967 WeakPolarHBondContact CA-O 3.46Å; G950-V967 PolarHBondContact N-O 2.93Å; G950-V967 PolarHBondContact O-N 3.01Å; L952-V967 HydrophobicContact CB-CG2 3.9Å; L952-V967 HydrophobicContact CD1-CB 4.3Å; L952-V967 HydrophobicContact CD1-CG2 4.12Å; L952-V967 HydrophobicContact CG-CG2 4.27Å; L965-V967 HydrophobicContact CB-CG2 4.21Å; V967-L974 HydrophobicContact CG1-CB 4.21Å; V967-L974 HydrophobicContact CG1-CD2 3.97Å; V967-L974 HydrophobicContact CG1-CG 4.49Å; V967-F975 WeakPolarHBondContact CA-O 3.39Å; V967-F976 HydrophobicContact CG1-CD1 4.11Å; V967-F976 HydrophobicContact CG1-CE1 4Å; V967-F976 HydrophobicContact CG2-CD1 4Å; V967-F976 HydrophobicContact CG2-CE1 4.31Å; V967-W1033 HydrophobicContact CB-CH2 3.89Å; V967-W1033 HydrophobicContact CB-CZ2 4.28Å; V967-W1033 HydrophobicContact CG1-CH2 3.84Å; V967-W1033 HydrophobicContact CG1-CZ3 4.22Å
968	V	98.5	Very high	92.2	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.8	172.7	175.7	0	0	0	0	107.9	T558 T970 L974 F975 Y977	T558-V968 HydrophobicContact CG2-CB 4.4Å; T558-V968 HydrophobicContact CG2-CG1 3.69Å; T558-V968 HydrophobicContact CG2-CG2 3.77Å; V968-T970 HydrophobicContact CG1-CG2 4.14Å; V968-L974 CarbonylContact O-C 3.54Å; V968-L974 WeakPolarHBondContact O-CA 3.47Å; V968-F975 HydrophobicContact CB-CB 4.37Å; V968-F975 PolarHBondContact N-O 3.14Å; V968-F975 PolarHBondContact O-N 3.01Å; V968-Y977 HydrophobicContact CB-CE2 4.05Å; V968-Y977 HydrophobicContact CG2-CD2 4.08Å; V968-Y977 HydrophobicContact CG2-CE2 3.62Å
969	F	97.9	Very high	93.1	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.9	173	173.6	-117.3	0	0	0	110.1	N946 Q947 L948 C973 L974 L991 W1033 V1036 A1040	N946-F969 HydrophobicContact CB-CE1 4.38Å; N946-F969 WeakPolarHBondContact O-CD1 3.22Å; N946-F969 VanDerWaalsContact O-CE1 3.27Å; N946-F969 WeakPolarHBondContact O-CE1 3.29Å; Q947-F969 WeakPolarHBondContact CA-O 3.15Å; L948-F969 HydrophobicContact CB-CB 4.4Å; L948-F969 HydrophobicContact CB-CD1 4.48Å; L948-F969 PolarHBondContact N-O 3.14Å; L948-F969 VanDerWaalsContact N-O 3.09Å; L948-F969 PolarHBondContact O-N 3.25Å; F969-C973 WeakPolarHBondContact CA-O 3.04Å; F969-C973 WeakPolarHBondContact CD2-O 3.31Å; F969-L974 HydrophobicContact CB-CD2 3.79Å; F969-L974 HydrophobicContact CD2-CD2 3.84Å; F969-L974 HydrophobicContact CG-CD2 4.14Å; F969-L991 HydrophobicContact CD2-CD1 3.78Å; F969-L991 HydrophobicContact CE2-CD1 3.58Å; F969-W1033 HydrophobicContact CB-CH2 4.29Å; F969-W1033 HydrophobicContact CB-CZ3 3.82Å; F969-V1036 HydrophobicContact CD1-CB 4Å; F969-V1036 HydrophobicContact CD1-CG2 3.75Å; F969-V1036 HydrophobicContact CE1-CB 3.94Å; F969-V1036 HydrophobicContact CE1-CG2 4.14Å; F969-V1036 WeakPolarHBondContact CE1-O 3.44Å; F969-A1040 HydrophobicContact CE2-CB 4.18Å; F969-A1040 HydrophobicContact CZ-CB 3.52Å
970	T	95.6	Very high	93.7	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	154.4	178.6	-172.9	0	0	0	0	109.5	Y680 L681 Q947 V968 F972 C973 F975	Y680-T970 HydrophobicContact CE2-CG2 3.94Å; L681-T970 HydrophobicContact CD1-CG2 4.05Å; L681-T970 HydrophobicContact CD2-CG2 4.37Å; Q947-T970 PolarHBondContact OE1-OG1 2.87Å; Q947-T970 VanDerWaalsContact OE1-OG1 3.04Å; V968-T970 HydrophobicContact CG1-CG2 4.14Å; T970-F972 PolarHBondContact O-N 3.02Å; T970-C973 PolarHBondContact N-O 3.28Å; T970-C973 PolarHBondContact O-N 2.84Å; T970-C973 VanDerWaalsContact O-O 3.09Å; T970-F975 HydrophobicContact CG2-CD2 4.05Å; T970-F975 HydrophobicContact CG2-CE2 3.81Å
971	N	91.4	Very high	95.1	Very high	34 Å²	34	38.2 Å²	38.2	18%	0.182	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.5	56.1	-179	-166	9.2	0	0	0	113.6	L681 T924 H940 C973	L681-N971 HydrophobicContact CD2-CB 4.06Å; T924-N971 PolarHBondContact OG1-OD1 3.17Å; H940-N971 PolarHBondContact CE1-OD1 2.67Å; H940-N971 VanDerWaalsContact CE1-OD1 3.29Å; N971-C973 WeakPolarHBondContact O-CB 3.49Å; N971-C973 PolarHBondContact O-N 2.76Å
972	F	95.1	Very high	95.7	Very high	9 Å²	9	37.8 Å²	37.8	4%	0.039	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	22.5	-179.2	-46.6	-90.6	0	0	0	115.4	T924 V935 D939 H940 A943 T970 L991 L992 A1040	T924-F972 HydrophobicContact CG2-CD2 4.15Å; T924-F972 HydrophobicContact CG2-CE2 4.35Å; V935-F972 HydrophobicContact CG1-CE1 4.28Å; V935-F972 HydrophobicContact CG1-CE2 3.79Å; V935-F972 HydrophobicContact CG1-CZ 3.49Å; V935-F972 VanDerWaalsContact CG1-CZ 3.49Å; D939-F972 HydrophobicContact CB-CE1 4.35Å; D939-F972 HydrophobicContact CB-CZ 4.23Å; D939-F972 VanDerWaalsContact O-CZ 3.3Å; D939-F972 WeakPolarHBondContact O-CZ 3.44Å; H940-F972 AromaticContact ND1-CE2 3.71Å; A943-F972 HydrophobicContact CB-CD1 4.1Å; A943-F972 HydrophobicContact CB-CD2 4.43Å; A943-F972 HydrophobicContact CB-CE1 3.76Å; A943-F972 HydrophobicContact CB-CE2 4.11Å; A943-F972 HydrophobicContact CB-CG 4.42Å; A943-F972 HydrophobicContact CB-CZ 3.76Å; T970-F972 PolarHBondContact O-N 3.02Å; F972-L991 WeakPolarHBondContact O-CB 3.35Å; F972-L991 PolarHBondContact O-N 2.85Å; F972-L992 HydrophobicContact CB-CD2 4.09Å; F972-L992 HydrophobicContact CB-CG 4.09Å; F972-L992 HydrophobicContact CD1-CD2 3.55Å; F972-L992 HydrophobicContact CD1-CG 4.45Å; F972-L992 HydrophobicContact CE1-CD2 4.16Å; F972-L992 HydrophobicContact CG-CD2 3.89Å; F972-L992 HydrophobicContact CG-CG 4.34Å; F972-A1040 HydrophobicContact CD1-CB 3.86Å; F972-A1040 HydrophobicContact CE1-CB 4.49Å
973	C	95.9	Very high	95.7	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.6	-168.9	-173.4	0	0	0	0	112.6	F969 T970 N971 F975 L989	F969-C973 WeakPolarHBondContact CA-O 3.04Å; F969-C973 WeakPolarHBondContact CD2-O 3.31Å; T970-C973 PolarHBondContact N-O 3.28Å; T970-C973 PolarHBondContact O-N 2.84Å; T970-C973 VanDerWaalsContact O-O 3.09Å; N971-C973 WeakPolarHBondContact O-CB 3.49Å; N971-C973 PolarHBondContact O-N 2.76Å; C973-F975 HydrophobicContact CB-CD2 4.35Å; C973-F975 HydrophobicContact CB-CE2 3.64Å; C973-F975 HydrophobicContact CB-CZ 3.93Å; C973-L989 VanDerWaalsContact SG-C 3.56Å
974	L	97.3	Very high	95.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.7	166.7	-60.7	178.9	0	0	0	109.8	V967 V968 F969 F976 S988 L989 L991 L1013 F1022 W1033 I1037	V967-L974 HydrophobicContact CG1-CB 4.21Å; V967-L974 HydrophobicContact CG1-CD2 3.97Å; V967-L974 HydrophobicContact CG1-CG 4.49Å; V968-L974 CarbonylContact O-C 3.54Å; V968-L974 WeakPolarHBondContact O-CA 3.47Å; F969-L974 HydrophobicContact CB-CD2 3.79Å; F969-L974 HydrophobicContact CD2-CD2 3.84Å; F969-L974 HydrophobicContact CG-CD2 4.14Å; L974-F976 HydrophobicContact CB-CE1 4.04Å; L974-F976 HydrophobicContact CB-CE2 4.39Å; L974-F976 HydrophobicContact CB-CZ 3.75Å; L974-F976 HydrophobicContact CD1-CE1 4.37Å; L974-F976 HydrophobicContact CD1-CZ 4.2Å; L974-S988 CarbonylContact O-C 3.5Å; L974-S988 VanDerWaalsContact O-CA 3.26Å; L974-S988 WeakPolarHBondContact O-CA 3.29Å; L974-L989 HydrophobicContact CB-CB 4.4Å; L974-L989 PolarHBondContact N-O 3.48Å; L974-L989 PolarHBondContact O-N 2.77Å; L974-L991 HydrophobicContact CD1-CD1 4.37Å; L974-L991 HydrophobicContact CD1-CD2 4.08Å; L974-L991 HydrophobicContact CD2-CD1 4.01Å; L974-L991 HydrophobicContact CG-CD1 3.71Å; L974-L991 HydrophobicContact CG-CD2 4.07Å; L974-L991 HydrophobicContact CG-CG 4.18Å; L974-L1013 HydrophobicContact CD1-CD1 3.82Å; L974-F1022 HydrophobicContact CD1-CE2 4.43Å; L974-F1022 HydrophobicContact CD1-CZ 4.2Å; L974-W1033 HydrophobicContact CD2-CZ3 3.91Å; L974-I1037 HydrophobicContact CD1-CD1 4.33Å; L974-I1037 HydrophobicContact CD2-CD1 4.17Å; L974-I1037 HydrophobicContact CD2-CG1 4.48Å
975	F	97.7	Very high	95.5	Very high	16 Å²	16	32.2 Å²	32.2	7%	0.07	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.2	171.7	-61.3	-90.3	0	0	0	109.2	Y680 L681 V967 V968 T970 C973 Y977 P985	Y680-F975 AromaticContact CD2-CD1 3.71Å; Y680-F975 HydrophobicContact CD2-CD1 3.71Å; Y680-F975 HydrophobicContact CD2-CD2 4.03Å; Y680-F975 AromaticContact CD2-CE1 3.65Å; Y680-F975 HydrophobicContact CD2-CE1 3.65Å; Y680-F975 AromaticContact CD2-CE2 3.97Å; Y680-F975 HydrophobicContact CD2-CE2 3.97Å; Y680-F975 AromaticContact CD2-CG 3.9Å; Y680-F975 HydrophobicContact CD2-CG 3.9Å; Y680-F975 AromaticContact CD2-CZ 3.78Å; Y680-F975 HydrophobicContact CD2-CZ 3.78Å; Y680-F975 HydrophobicContact CE2-CD1 4.41Å; Y680-F975 AromaticContact CE2-CD2 3.93Å; Y680-F975 HydrophobicContact CE2-CD2 3.93Å; Y680-F975 HydrophobicContact CE2-CE1 4.47Å; Y680-F975 AromaticContact CE2-CE2 3.99Å; Y680-F975 HydrophobicContact CE2-CE2 3.99Å; Y680-F975 HydrophobicContact CE2-CG 4.14Å; Y680-F975 HydrophobicContact CE2-CZ 4.26Å; L681-F975 HydrophobicContact CD2-CE2 4.27Å; L681-F975 HydrophobicContact CD2-CZ 4.01Å; V967-F975 WeakPolarHBondContact CA-O 3.39Å; V968-F975 HydrophobicContact CB-CB 4.37Å; V968-F975 PolarHBondContact N-O 3.14Å; V968-F975 PolarHBondContact O-N 3.01Å; T970-F975 HydrophobicContact CG2-CD2 4.05Å; T970-F975 HydrophobicContact CG2-CE2 3.81Å; C973-F975 HydrophobicContact CB-CD2 4.35Å; C973-F975 HydrophobicContact CB-CE2 3.64Å; C973-F975 HydrophobicContact CB-CZ 3.93Å; F975-Y977 HydrophobicContact CB-CE2 3.82Å; F975-P985 HydrophobicContact CB-CB 4.11Å; F975-P985 HydrophobicContact CD1-CB 4.37Å; F975-P985 HydrophobicContact CD1-CG 4.1Å
976	F	97.5	Very high	95.3	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.7	-174	-55.2	-68.9	0	0	0	111.2	L965 V967 L974 P985 L986 A987 L989 F1022	L965-F976 HydrophobicContact CD1-CB 4.28Å; L965-F976 HydrophobicContact CD1-CD1 4.08Å; L965-F976 HydrophobicContact CD1-CG 4.36Å; V967-F976 HydrophobicContact CG1-CD1 4.11Å; V967-F976 HydrophobicContact CG1-CE1 4Å; V967-F976 HydrophobicContact CG2-CD1 4Å; V967-F976 HydrophobicContact CG2-CE1 4.31Å; L974-F976 HydrophobicContact CB-CE1 4.04Å; L974-F976 HydrophobicContact CB-CE2 4.39Å; L974-F976 HydrophobicContact CB-CZ 3.75Å; L974-F976 HydrophobicContact CD1-CE1 4.37Å; L974-F976 HydrophobicContact CD1-CZ 4.2Å; F976-P985 CarbonylContact O-C 3.58Å; F976-P985 WeakPolarHBondContact O-CA 3.43Å; F976-L986 WeakPolarHBondContact O-CB 3.3Å; F976-L986 PolarHBondContact O-N 3.5Å; F976-A987 HydrophobicContact CD2-CB 4.14Å; F976-A987 PolarHBondContact N-O 3.22Å; F976-L989 HydrophobicContact CE2-CB 3.73Å; F976-L989 HydrophobicContact CE2-CD2 4.46Å; F976-L989 HydrophobicContact CZ-CB 4.06Å; F976-L989 HydrophobicContact CZ-CD2 4.15Å; F976-F1022 AromaticContact CE1-CE1 3.67Å; F976-F1022 HydrophobicContact CE1-CE1 3.67Å; F976-F1022 AromaticContact CE1-CZ 3.78Å; F976-F1022 HydrophobicContact CE1-CZ 3.78Å; F976-F1022 HydrophobicContact CZ-CE1 4.25Å; F976-F1022 AromaticContact CZ-CZ 3.87Å; F976-F1022 HydrophobicContact CZ-CZ 3.87Å
977	Y	97.5	Very high	95	Very high	13 Å²	13	38.7 Å²	38.7	5%	0.051	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	155.5	176.5	-56.8	-107.3	0	0	0	109.2	L965 W966 V968 F975 T979 D982 F984 P985	L965-Y977 WeakPolarHBondContact CD2-O 3.36Å; W966-Y977 AromaticContact CD1-CD2 3.87Å; W966-Y977 PolarHBondContact N-O 2.86Å; W966-Y977 PolarHBondContact O-N 3.12Å; V968-Y977 HydrophobicContact CB-CE2 4.05Å; V968-Y977 HydrophobicContact CG2-CD2 4.08Å; V968-Y977 HydrophobicContact CG2-CE2 3.62Å; F975-Y977 HydrophobicContact CB-CE2 3.82Å; Y977-T979 VanDerWaalsContact CB-O 3.31Å; Y977-T979 WeakPolarHBondContact CB-O 3.32Å; Y977-D982 HydrophobicContact CD1-CB 3.9Å; Y977-F984 VanDerWaalsContact CD1-C 3.47Å; Y977-F984 WeakPolarHBondContact CD1-O 3.18Å; Y977-P985 HydrophobicContact CD1-CB 4.38Å; Y977-P985 HydrophobicContact CD2-CB 4.4Å; Y977-P985 HydrophobicContact CE1-CB 4.03Å; Y977-P985 HydrophobicContact CE1-CG 4.46Å; Y977-P985 VanDerWaalsContact CE1-N 3.28Å; Y977-P985 HydrophobicContact CE2-CB 4.03Å
978	K	92.6	Very high	94.8	Very high	150 Å²	150	42 Å²	42	65%	0.652	22%	0.221	S	C	*	.	S	Bend	trans	-71.5	-42.9	175.5	-171.8	-170.2	172.9	-165.6	0	109.9	D982 L986	K978-D982 WeakPolarHBondContact CA-OD2 3.45Å; K978-D982 WeakPolarHBondContact CB-OD2 3.42Å; K978-D982 PolarHBondContact N-OD2 3.45Å; K978-L986 HydrophobicContact CB-CD1 4.14Å
979	T	95.1	Very high	94.6	Very high	37 Å²	37	42.4 Å²	42.4	23%	0.227	22%	0.222	C	C	.	.	S	Bend	trans	-134.8	174.4	176.8	83.4	0	0	0	0	110.8	W966 Y977 Q981 D982	W966-T979 WeakPolarHBondContact CB-O 3.28Å; Y977-T979 VanDerWaalsContact CB-O 3.31Å; Y977-T979 WeakPolarHBondContact CB-O 3.32Å; T979-Q981 PolarHBondContact O-N 2.85Å; T979-Q981 PolarHBondContact OG1-N 2.87Å; T979-D982 WeakPolarHBondContact CB-OD1 3.43Å; T979-D982 PolarHBondContact N-OD1 3.44Å; T979-D982 PolarHBondContact N-OD2 3.23Å; T979-D982 PolarHBondContact OG1-N 3.29Å; T979-D982 PolarHBondContact OG1-OD1 2.76Å
980	H	94.1	Very high	94.5	Very high	53 Å²	53	44.2 Å²	44.2	25%	0.245	23%	0.234	C	C	.	.	S	Bend	trans	-82	3.9	170.5	72.6	64.7	0	0	0	113.8	Y951 W966	Y951-H980 AromaticContact CE2-CD2 3.94Å; Y951-H980 PolarHBondContact OH-CD2 3.42Å; Y951-H980 PolarHBondContact OH-N 3.3Å; W966-H980 HydrophobicContact CD2-CB 3.52Å; W966-H980 HydrophobicContact CE3-CB 3.69Å; W966-H980 HydrophobicContact CG-CB 3.99Å; W966-H980 HydrophobicContact CH2-CB 3.94Å; W966-H980 HydrophobicContact CZ2-CB 3.85Å; W966-H980 HydrophobicContact CZ3-CB 3.89Å
981	Q	94	Very high	94.4	Very high	120 Å²	120	43.9 Å²	43.9	56%	0.561	23%	0.232	S	C	*	.	S	Bend	trans	-100.1	-21.6	178.3	-61.8	176.2	-57.1	0	0	111.8	K561 T979	K561-Q981 WeakPolarHBondContact CE-O 3.47Å; T979-Q981 PolarHBondContact O-N 2.85Å; T979-Q981 PolarHBondContact OG1-N 2.87Å
982	D	94.2	Very high	94.4	Very high	40 Å²	40	42.4 Å²	42.4	21%	0.214	23%	0.225	C	C	.	.			trans	-55.9	129.9	178.2	-58.6	14	0	0	0	112.1	Y977 K978 T979 F984	Y977-D982 HydrophobicContact CD1-CB 3.9Å; K978-D982 WeakPolarHBondContact CA-OD2 3.45Å; K978-D982 WeakPolarHBondContact CB-OD2 3.42Å; K978-D982 PolarHBondContact N-OD2 3.45Å; T979-D982 WeakPolarHBondContact CB-OD1 3.43Å; T979-D982 PolarHBondContact N-OD1 3.44Å; T979-D982 PolarHBondContact N-OD2 3.23Å; T979-D982 PolarHBondContact OG1-N 3.29Å; T979-D982 PolarHBondContact OG1-OD1 2.76Å; D982-F984 PolarHBondContact O-N 3.29Å
983	D	92.1	Very high	94.2	Very high	58 Å²	58	43.9 Å²	43.9	31%	0.31	24%	0.242	S	C	.	.	S	Bend	trans	-78.3	-12.4	-179.8	-56.9	-66.3	0	0	0	114.9	K561 W569	K561-D983 IonicContact NZ-OD1 3.94Å; K561-D983 PolarHBondContact NZ-OD1 3.1Å; W569-D983 HydrophobicContact CZ2-CB 4.01Å
984	F	92.3	Very high	94	Very high	89 Å²	89	43.9 Å²	43.9	39%	0.39	24%	0.241	S	C	.	.	S	Bend	trans	-149.2	148.3	-176.6	60.1	-96.5	0	0	0	113	K677 Y977 D982	K677-F984 HydrophobicContact CB-CB 3.72Å; K677-F984 HydrophobicContact CB-CD2 4.09Å; K677-F984 HydrophobicContact CB-CG 3.9Å; K677-F984 HydrophobicContact CD-CD2 3.88Å; K677-F984 HydrophobicContact CD-CE2 4.07Å; K677-F984 HydrophobicContact CD-CG 4.41Å; K677-F984 WeakPolarHBondContact O-CB 3.26Å; Y977-F984 VanDerWaalsContact CD1-C 3.47Å; Y977-F984 WeakPolarHBondContact CD1-O 3.18Å; D982-F984 PolarHBondContact O-N 3.29Å
985	P	93.9	Very high	93.8	Very high	23 Å²	23	47.6 Å²	47.6	15%	0.149	26%	0.264	C	S	.	.			trans	-74.1	144.1	-177.2	28.1	-33.4	0	0	0	112.7	Y680 F975 F976 Y977	Y680-P985 HydrophobicContact CG-CG 4.5Å; F975-P985 HydrophobicContact CB-CB 4.11Å; F975-P985 HydrophobicContact CD1-CB 4.37Å; F975-P985 HydrophobicContact CD1-CG 4.1Å; F976-P985 CarbonylContact O-C 3.58Å; F976-P985 WeakPolarHBondContact O-CA 3.43Å; Y977-P985 HydrophobicContact CD1-CB 4.38Å; Y977-P985 HydrophobicContact CD2-CB 4.4Å; Y977-P985 HydrophobicContact CE1-CB 4.03Å; Y977-P985 HydrophobicContact CE1-CG 4.46Å; Y977-P985 VanDerWaalsContact CE1-N 3.28Å; Y977-P985 HydrophobicContact CE2-CB 4.03Å
986	L	91.9	Very high	93.7	Very high	100 Å²	100	47.8 Å²	47.8	52%	0.524	27%	0.266	S	S	.	.	S	Bend	trans	-68.7	-35.3	171	-55.6	175.7	0	0	0	112	L965 F976 K978	L965-L986 HydrophobicContact CD2-CD1 4.2Å; F976-L986 WeakPolarHBondContact O-CB 3.3Å; F976-L986 PolarHBondContact O-N 3.5Å; K978-L986 HydrophobicContact CB-CD1 4.14Å
987	A	92.4	Very high	93.5	Very high	47 Å²	47	49.3 Å²	49.3	39%	0.388	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	162.2	-177.3	0	0	0	0	0	110.8	F976	F976-A987 HydrophobicContact CD2-CB 4.14Å; F976-A987 PolarHBondContact N-O 3.22Å
988	S	94	Very high	93.4	Very high	70 Å²	70	52.5 Å²	52.5	49%	0.49	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.8	173.7	61.6	0	0	0	0	112	L974	L974-S988 CarbonylContact O-C 3.5Å; L974-S988 VanDerWaalsContact O-CA 3.26Å; L974-S988 WeakPolarHBondContact O-CA 3.29Å
989	L	94.6	Very high	93.4	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.058	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	96.8	-179.9	-180	66.4	0	0	0	110.4	C973 L974 F976 L991 Y994 Y1020	C973-L989 VanDerWaalsContact SG-C 3.56Å; L974-L989 HydrophobicContact CB-CB 4.4Å; L974-L989 PolarHBondContact N-O 3.48Å; L974-L989 PolarHBondContact O-N 2.77Å; F976-L989 HydrophobicContact CE2-CB 3.73Å; F976-L989 HydrophobicContact CE2-CD2 4.46Å; F976-L989 HydrophobicContact CZ-CB 4.06Å; F976-L989 HydrophobicContact CZ-CD2 4.15Å; L989-L991 HydrophobicContact CD2-CD2 4.5Å; L989-L991 HydrophobicContact CG-CD2 4.42Å; L989-Y994 HydrophobicContact CD1-CE2 4.42Å; L989-Y994 WeakPolarHBondContact CD1-OH 3.38Å; L989-Y1020 HydrophobicContact CD1-CE2 3.96Å; L989-Y1020 HydrophobicContact CD2-CD1 4.47Å; L989-Y1020 HydrophobicContact CD2-CD2 4.1Å; L989-Y1020 HydrophobicContact CD2-CE1 4.3Å; L989-Y1020 HydrophobicContact CD2-CE2 3.94Å; L989-Y1020 HydrophobicContact CD2-CG 4.37Å
990	P	94.8	Very high	93.2	Very high	39 Å²	39	48.9 Å²	48.9	25%	0.253	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	135.2	175	-20.5	32.6	0	0	0	111.3	V927 R931 Y994	V927-P990 HydrophobicContact CG1-CB 4.1Å; V927-P990 HydrophobicContact CG2-CB 3.89Å; V927-P990 HydrophobicContact CG2-CG 4.18Å; R931-P990 VanDerWaalsContact CZ-O 3.27Å; R931-P990 PolarHBondContact NH1-O 3.17Å; R931-P990 PolarHBondContact NH2-O 3.48Å; P990-Y994 WeakPolarHBondContact O-CE2 3.38Å
991	L	94.1	Very high	92.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.317	C	S	.	.			trans	-102.7	-13.7	-164.7	-64	173.1	0	0	0	115.4	F969 F972 L974 L989 G993 Y994 L1013 I1037 A1041	F969-L991 HydrophobicContact CD2-CD1 3.78Å; F969-L991 HydrophobicContact CE2-CD1 3.58Å; F972-L991 WeakPolarHBondContact O-CB 3.35Å; F972-L991 PolarHBondContact O-N 2.85Å; L974-L991 HydrophobicContact CD1-CD1 4.37Å; L974-L991 HydrophobicContact CD1-CD2 4.08Å; L974-L991 HydrophobicContact CD2-CD1 4.01Å; L974-L991 HydrophobicContact CG-CD1 3.71Å; L974-L991 HydrophobicContact CG-CD2 4.07Å; L974-L991 HydrophobicContact CG-CG 4.18Å; L989-L991 HydrophobicContact CD2-CD2 4.5Å; L989-L991 HydrophobicContact CG-CD2 4.42Å; L991-G993 PolarHBondContact O-N 3.15Å; L991-G993 VanDerWaalsContact O-N 3.08Å; L991-Y994 WeakPolarHBondContact O-CB 3.37Å; L991-Y994 WeakPolarHBondContact O-CD2 3.45Å; L991-Y994 PolarHBondContact O-N 3.22Å; L991-L1013 HydrophobicContact CD2-CD1 3.96Å; L991-I1037 HydrophobicContact CD1-CG1 4.29Å; L991-I1037 HydrophobicContact CD1-CG2 3.81Å; L991-A1041 HydrophobicContact CB-CB 4.13Å; L991-A1041 WeakPolarHBondContact O-CB 3.26Å
992	L	92.3	Very high	92.5	Very high	3 Å²	3	54 Å²	54	2%	0.016	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	115.9	-179	-66.6	175.6	0	0	0	112.6	T924 V927 R931 T933 V935 F972	T924-L992 HydrophobicContact CG2-CD1 3.99Å; V927-L992 HydrophobicContact CB-CD1 4.16Å; V927-L992 HydrophobicContact CG1-CB 4.09Å; V927-L992 HydrophobicContact CG1-CD1 3.89Å; V927-L992 HydrophobicContact CG1-CG 4.38Å; R931-L992 WeakPolarHBondContact CD-O 3.49Å; R931-L992 PolarHBondContact NH1-O 3.26Å; T933-L992 HydrophobicContact CG2-CB 4.42Å; V935-L992 HydrophobicContact CG2-CD1 3.68Å; V935-L992 HydrophobicContact CG2-CD2 3.7Å; V935-L992 HydrophobicContact CG2-CG 4.37Å; F972-L992 HydrophobicContact CB-CD2 4.09Å; F972-L992 HydrophobicContact CB-CG 4.09Å; F972-L992 HydrophobicContact CD1-CD2 3.55Å; F972-L992 HydrophobicContact CD1-CG 4.45Å; F972-L992 HydrophobicContact CE1-CD2 4.16Å; F972-L992 HydrophobicContact CG-CD2 3.89Å; F972-L992 HydrophobicContact CG-CG 4.34Å
993	G	88.9	Confident	92.2	Very high	39 Å²	39	52.8 Å²	52.8	40%	0.402	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	5.6	-178.8	0	0	0	0	0	116	L991 F1015 A1041	L991-G993 PolarHBondContact O-N 3.15Å; L991-G993 VanDerWaalsContact O-N 3.08Å; G993-F1015 WeakPolarHBondContact O-CD2 3.24Å; G993-A1041 WeakPolarHBondContact CA-O 3.13Å; G993-A1041 PolarHBondContact N-O 2.92Å
994	Y	93.7	Very high	91.8	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.035	33%	0.328	C	S	.	.			trans	-70.2	141	163.8	-86.1	-105.9	0	0	0	110	L989 P990 L991 L1013 Q1014 F1015 Y1020 A1041	L989-Y994 HydrophobicContact CD1-CE2 4.42Å; L989-Y994 WeakPolarHBondContact CD1-OH 3.38Å; P990-Y994 WeakPolarHBondContact O-CE2 3.38Å; L991-Y994 WeakPolarHBondContact O-CB 3.37Å; L991-Y994 WeakPolarHBondContact O-CD2 3.45Å; L991-Y994 PolarHBondContact O-N 3.22Å; Y994-L1013 HydrophobicContact CD1-CB 4.02Å; Y994-Q1014 CarbonylContact C-O 3.57Å; Y994-Q1014 WeakPolarHBondContact CA-O 3.33Å; Y994-F1015 HydrophobicContact CD1-CB 3.63Å; Y994-F1015 HydrophobicContact CD2-CB 3.68Å; Y994-F1015 HydrophobicContact CD2-CG 4.14Å; Y994-F1015 HydrophobicContact CE1-CB 3.46Å; Y994-F1015 VanDerWaalsContact CE1-CB 3.46Å; Y994-F1015 HydrophobicContact CE2-CB 3.52Å; Y994-F1015 HydrophobicContact CE2-CD1 4.21Å; Y994-F1015 AromaticContact CE2-CG 3.93Å; Y994-F1015 HydrophobicContact CE2-CG 3.93Å; Y994-F1015 HydrophobicContact CG-CB 3.73Å; Y994-Y1020 HydrophobicContact CE1-CD2 4.02Å; Y994-Y1020 AromaticContact CE1-CE2 3.87Å; Y994-Y1020 HydrophobicContact CE1-CE2 3.87Å; Y994-A1041 WeakPolarHBondContact O-CB 3.47Å
995	T	92.4	Very high	91.6	Very high	79 Å²	79	51.3 Å²	51.3	49%	0.485	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	143.4	166.5	56.9	0	0	0	0	110.4	L1013 Q1014	T995-L1013 WeakPolarHBondContact O-CA 3.41Å; T995-Q1014 PolarHBondContact N-O 3.45Å; T995-Q1014 PolarHBondContact O-N 2.72Å; T995-Q1014 VanDerWaalsContact O-N 3.08Å; T995-Q1014 PolarHBondContact OG1-O 3.24Å
996	V	94.8	Very high	91.2	Very high	19 Å²	19	58.8 Å²	58.8	12%	0.115	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	110.6	-178.8	-169	0	0	0	0	108.7	L1013 M1034 I1037 K1038 A1041	V996-L1013 HydrophobicContact CB-CD2 4.21Å; V996-L1013 HydrophobicContact CG1-CD2 3.88Å; V996-L1013 HydrophobicContact CG2-CD2 3.89Å; V996-M1034 HydrophobicContact CG1-CE 4.01Å; V996-M1034 HydrophobicContact CG1-CG 4.45Å; V996-I1037 HydrophobicContact CG2-CB 4.43Å; V996-I1037 HydrophobicContact CG2-CG2 3.69Å; V996-K1038 HydrophobicContact CB-CG 3.7Å; V996-K1038 HydrophobicContact CG1-CG 3.97Å; V996-K1038 HydrophobicContact CG2-CG 4.03Å; V996-A1041 HydrophobicContact CG2-CB 3.98Å
997	S	94.4	Very high	91	Very high	37 Å²	37	58.9 Å²	58.9	26%	0.259	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	175.2	-175.5	50.8	0	0	0	0	111.2	F1011 K1012	S997-F1011 CarbonylContact O-C 3.6Å; S997-F1011 WeakPolarHBondContact O-CA 3.31Å; S997-K1012 PolarHBondContact N-O 3.45Å; S997-K1012 PolarHBondContact O-N 3.2Å; S997-K1012 WeakPolarHBondContact OG-CD 3.47Å
998	T	94.2	Very high	90.9	Very high	79 Å²	79	63 Å²	63	49%	0.485	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-75.9	162.8	156.7	44.3	0	0	0	0	110	F1030	T998-F1030 HydrophobicContact CG2-CZ 4.26Å
999	P	93.4	Very high	91	Very high	28 Å²	28	63.1 Å²	63.1	18%	0.182	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-58.9	148.9	163.8	-21	32.3	0	0	0	111.7	D1003 I1005 V1010 F1021	P999-D1003 HydrophobicContact CB-CB 4.25Å; P999-I1005 HydrophobicContact CB-CB 4.21Å; P999-I1005 HydrophobicContact CB-CD1 4.5Å; P999-I1005 HydrophobicContact CG-CB 4.33Å; P999-I1005 HydrophobicContact CG-CD1 4.41Å; P999-I1005 HydrophobicContact CG-CG2 4.35Å; P999-V1010 WeakPolarHBondContact CD-O 3.38Å; P999-V1010 HydrophobicContact CG-CB 3.92Å; P999-V1010 HydrophobicContact CG-CG1 3.46Å; P999-V1010 VanDerWaalsContact CG-CG1 3.46Å; P999-F1021 HydrophobicContact CB-CD1 4.48Å; P999-F1021 HydrophobicContact CB-CE1 4.16Å; P999-F1021 HydrophobicContact CG-CD1 4.1Å; P999-F1021 HydrophobicContact CG-CE1 4.27Å
1000	D	90.4	Very high	91.1	Very high	84 Å²	84	62.8 Å²	62.8	45%	0.449	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-95.3	164.8	170	-51.3	-60.4	0	0	0	109.8	S1002 D1003 K1012	D1000-S1002 PolarHBondContact O-N 3.34Å; D1000-S1002 VanDerWaalsContact O-N 3.11Å; D1000-D1003 PolarHBondContact N-OD2 3.03Å; D1000-D1003 WeakPolarHBondContact O-CB 3.5Å; D1000-D1003 PolarHBondContact O-N 2.96Å; D1000-K1012 IonicContact OD2-NZ 2.69Å; D1000-K1012 PolarHBondContact OD2-NZ 2.93Å
1001	E	85.9	Confident	91.2	Very high	190 Å²	190	61 Å²	61	89%	0.888	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-52.3	-37	174.3	-62	-176.5	163.2	0	0	112.2	D1003 S1004	E1001-D1003 PolarHBondContact O-N 3.47Å; E1001-D1003 VanDerWaalsContact O-N 3.15Å; E1001-S1004 PolarHBondContact O-N 2.68Å; E1001-S1004 VanDerWaalsContact O-N 3.09Å
1002	S	86.9	Confident	91.3	Very high	89 Å²	89	61.3 Å²	61.3	62%	0.622	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-68.1	-4.3	177.3	76.2	0	0	0	0	115.7	K957 D1000	K957-S1002 PolarHBondContact NZ-O 3.21Å; D1000-S1002 PolarHBondContact O-N 3.34Å; D1000-S1002 VanDerWaalsContact O-N 3.11Å
1003	D	88.1	Confident	91.5	Very high	15 Å²	15	61.1 Å²	61.1	8%	0.08	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-94.5	-12	172.1	-65.8	-48.5	0	0	0	112.9	K957 P999 D1000 E1001 I1005 K1012 F1021	K957-D1003 IonicContact NZ-OD1 2.76Å; K957-D1003 PolarHBondContact NZ-OD1 3.05Å; P999-D1003 HydrophobicContact CB-CB 4.25Å; D1000-D1003 PolarHBondContact N-OD2 3.03Å; D1000-D1003 WeakPolarHBondContact O-CB 3.5Å; D1000-D1003 PolarHBondContact O-N 2.96Å; E1001-D1003 PolarHBondContact O-N 3.47Å; E1001-D1003 VanDerWaalsContact O-N 3.15Å; D1003-I1005 PolarHBondContact O-N 3.49Å; D1003-K1012 IonicContact OD1-NZ 2.79Å; D1003-K1012 WeakPolarHBondContact OD2-CD 3.35Å; D1003-K1012 WeakPolarHBondContact OD2-CE 3.27Å; D1003-K1012 IonicContact OD2-NZ 3.39Å; D1003-K1012 PolarHBondContact OD2-NZ 2.66Å; D1003-F1021 HydrophobicContact CB-CE1 3.97Å; D1003-F1021 HydrophobicContact CB-CZ 3.7Å; D1003-F1021 VanDerWaalsContact CG-CZ 3.44Å; D1003-F1021 WeakPolarHBondContact OD1-CZ 3.28Å
1004	S	85.6	Confident	91.7	Very high	89 Å²	89	62.4 Å²	62.4	62%	0.622	33%	0.329	S	S	*	.			trans	54.2	47.3	179.1	-51.6	0	0	0	0	113.7	E1001	E1001-S1004 PolarHBondContact O-N 2.68Å; E1001-S1004 VanDerWaalsContact O-N 3.09Å
1005	I	88.1	Confident	91.5	Very high	27 Å²	27	63.8 Å²	63.8	14%	0.138	34%	0.336	C	S	.	.			trans	-117.7	109.9	177	-63.2	175	0	0	0	109.9	W962 P999 D1003 V1010 F1021	W962-I1005 HydrophobicContact CZ2-CG2 4.09Å; P999-I1005 HydrophobicContact CB-CB 4.21Å; P999-I1005 HydrophobicContact CB-CD1 4.5Å; P999-I1005 HydrophobicContact CG-CB 4.33Å; P999-I1005 HydrophobicContact CG-CD1 4.41Å; P999-I1005 HydrophobicContact CG-CG2 4.35Å; D1003-I1005 PolarHBondContact O-N 3.49Å; I1005-V1010 HydrophobicContact CG2-CB 4.34Å; I1005-V1010 HydrophobicContact CG2-CG1 4.21Å; I1005-V1010 HydrophobicContact CG2-CG2 3.91Å; I1005-F1021 HydrophobicContact CD1-CB 3.92Å; I1005-F1021 HydrophobicContact CD1-CD1 3.35Å; I1005-F1021 HydrophobicContact CD1-CD2 3.62Å; I1005-F1021 HydrophobicContact CD1-CE1 3.64Å; I1005-F1021 HydrophobicContact CD1-CE2 3.91Å; I1005-F1021 HydrophobicContact CD1-CG 3.32Å; I1005-F1021 HydrophobicContact CD1-CZ 3.92Å
1006	H	83.6	Confident	91.4	Very high	180 Å²	180	67.4 Å²	67.4	83%	0.833	34%	0.344	S	S	*	.			trans	-106	25.9	178.9	-48.3	-69.9	0	0	0	112.5
1007	K	88.2	Confident	91	Very high	103 Å²	103	70.4 Å²	70.4	45%	0.448	37%	0.366	S	S	.	.			trans	-100.7	135.4	174.1	-64.1	-145.1	175.8	-147.9	0	109.9	V1010	K1007-V1010 HydrophobicContact CB-CG2 4.1Å; K1007-V1010 WeakPolarHBondContact O-CG2 3.46Å
1008	E	91.6	Very high	90.8	Very high	132 Å²	132	73.3 Å²	73.3	62%	0.617	38%	0.375	S	S	*	.	S	Bend	trans	-64.6	159	175.1	-61.4	168.4	153.4	0	0	112.2	V1010 R1023	E1008-V1010 VanDerWaalsContact C-N 3.28Å; E1008-V1010 PolarHBondContact O-N 2.95Å; E1008-R1023 WeakPolarHBondContact O-CD 3.47Å; E1008-R1023 WeakPolarHBondContact O-CG 3.27Å; E1008-R1023 PolarHBondContact O-NE 2.85Å
1009	Y	95.6	Very high	90.7	Very high	73 Å²	73	70.6 Å²	70.6	29%	0.286	36%	0.359	S	S	.	.	S	Bend	trans	59.9	32.9	174.8	-48.5	-43.5	0	0	0	114.2	R1023 A1024 E1027 F1030	Y1009-R1023 WeakPolarHBondContact O-CA 3.11Å; Y1009-A1024 PolarHBondContact O-N 3.5Å; Y1009-E1027 HydrophobicContact CD1-CB 4.15Å; Y1009-E1027 VanDerWaalsContact CE1-CA 3.49Å; Y1009-E1027 HydrophobicContact CE1-CB 3.49Å; Y1009-E1027 VanDerWaalsContact CE1-CB 3.49Å; Y1009-E1027 HydrophobicContact CE1-CG 4.05Å; Y1009-F1030 VanDerWaalsContact C-CD2 3.47Å; Y1009-F1030 HydrophobicContact CD1-CB 4.38Å; Y1009-F1030 HydrophobicContact CD1-CD1 4.48Å; Y1009-F1030 HydrophobicContact CG-CB 4.45Å; Y1009-F1030 WeakPolarHBondContact O-CD2 3.44Å
1010	V	96.9	Very high	90.8	Very high	5 Å²	5	70.9 Å²	70.9	3%	0.03	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.5	176.7	-178.7	0	0	0	0	111.1	W962 P999 I1005 K1007 E1008 F1021 F1022 R1023 F1030	W962-V1010 HydrophobicContact CH2-CG1 3.86Å; W962-V1010 HydrophobicContact CH2-CG2 3.76Å; W962-V1010 HydrophobicContact CZ2-CG2 4.19Å; P999-V1010 WeakPolarHBondContact CD-O 3.38Å; P999-V1010 HydrophobicContact CG-CB 3.92Å; P999-V1010 HydrophobicContact CG-CG1 3.46Å; P999-V1010 VanDerWaalsContact CG-CG1 3.46Å; I1005-V1010 HydrophobicContact CG2-CB 4.34Å; I1005-V1010 HydrophobicContact CG2-CG1 4.21Å; I1005-V1010 HydrophobicContact CG2-CG2 3.91Å; K1007-V1010 HydrophobicContact CB-CG2 4.1Å; K1007-V1010 WeakPolarHBondContact O-CG2 3.46Å; E1008-V1010 VanDerWaalsContact C-N 3.28Å; E1008-V1010 PolarHBondContact O-N 2.95Å; V1010-F1021 HydrophobicContact CG1-CB 4.14Å; V1010-F1021 HydrophobicContact CG1-CD1 4.33Å; V1010-F1022 CarbonylContact C-O 3.53Å; V1010-F1022 VanDerWaalsContact CA-O 3.28Å; V1010-F1022 WeakPolarHBondContact CA-O 3.42Å; V1010-R1023 HydrophobicContact CG2-CB 3.9Å; V1010-R1023 HydrophobicContact CG2-CG 4.11Å; V1010-F1030 WeakPolarHBondContact O-CE2 3.46Å
1011	F	96.9	Very high	91.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	156.3	163.3	64	-89.1	0	0	0	112.1	L952 S997 L1013 F1021 F1022 F1030 W1033 M1034 I1037	L952-F1011 HydrophobicContact CD1-CE1 4.36Å; L952-F1011 HydrophobicContact CD1-CZ 4Å; L952-F1011 HydrophobicContact CD2-CE1 4.41Å; S997-F1011 CarbonylContact O-C 3.6Å; S997-F1011 WeakPolarHBondContact O-CA 3.31Å; F1011-L1013 HydrophobicContact CD2-CD2 3.87Å; F1011-L1013 HydrophobicContact CD2-CG 4.07Å; F1011-L1013 HydrophobicContact CE2-CD1 4.22Å; F1011-L1013 HydrophobicContact CE2-CD2 4Å; F1011-L1013 HydrophobicContact CE2-CG 4.02Å; F1011-F1021 WeakPolarHBondContact O-CA 3.3Å; F1011-F1022 HydrophobicContact CD1-CB 4.07Å; F1011-F1022 WeakPolarHBondContact CD1-O 3.45Å; F1011-F1022 HydrophobicContact CD2-CB 4.04Å; F1011-F1022 HydrophobicContact CD2-CD2 4.45Å; F1011-F1022 HydrophobicContact CE1-CB 3.62Å; F1011-F1022 HydrophobicContact CE2-CB 3.59Å; F1011-F1022 AromaticContact CE2-CD2 3.89Å; F1011-F1022 HydrophobicContact CE2-CD2 3.89Å; F1011-F1022 AromaticContact CE2-CG 3.96Å; F1011-F1022 HydrophobicContact CE2-CG 3.96Å; F1011-F1022 HydrophobicContact CG-CB 4.27Å; F1011-F1022 HydrophobicContact CZ-CB 3.37Å; F1011-F1022 HydrophobicContact CZ-CD2 4.36Å; F1011-F1022 AromaticContact CZ-CG 3.97Å; F1011-F1022 HydrophobicContact CZ-CG 3.97Å; F1011-F1022 PolarHBondContact N-O 3.29Å; F1011-F1022 PolarHBondContact O-N 3.47Å; F1011-F1030 HydrophobicContact CB-CD2 4.44Å; F1011-F1030 HydrophobicContact CB-CE2 4.01Å; F1011-F1030 HydrophobicContact CD1-CD2 4.2Å; F1011-W1033 HydrophobicContact CE1-CB 3.67Å; F1011-W1033 HydrophobicContact CE1-CG 4.35Å; F1011-W1033 HydrophobicContact CZ-CB 3.96Å; F1011-M1034 HydrophobicContact CB-CE 4.08Å; F1011-M1034 HydrophobicContact CB-CG 3.68Å; F1011-M1034 HydrophobicContact CB-SD 3.87Å; F1011-M1034 HydrophobicContact CD1-CG 4.21Å; F1011-M1034 HydrophobicContact CG-CG 4Å; F1011-I1037 HydrophobicContact CE2-CD1 3.6Å; F1011-I1037 HydrophobicContact CZ-CD1 3.81Å
1012	K	95.9	Very high	91.7	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.03	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.4	-175.9	171.6	179.7	176.4	168.4	0	109	S997 D1000 D1003 Q1014 V1019 Y1020 F1021	S997-K1012 PolarHBondContact N-O 3.45Å; S997-K1012 PolarHBondContact O-N 3.2Å; S997-K1012 WeakPolarHBondContact OG-CD 3.47Å; D1000-K1012 IonicContact OD2-NZ 2.69Å; D1000-K1012 PolarHBondContact OD2-NZ 2.93Å; D1003-K1012 IonicContact OD1-NZ 2.79Å; D1003-K1012 WeakPolarHBondContact OD2-CD 3.35Å; D1003-K1012 WeakPolarHBondContact OD2-CE 3.27Å; D1003-K1012 IonicContact OD2-NZ 3.39Å; D1003-K1012 PolarHBondContact OD2-NZ 2.66Å; K1012-Q1014 VanDerWaalsContact CE-OE1 3.23Å; K1012-V1019 HydrophobicContact CG-CG1 4.3Å; K1012-Y1020 WeakPolarHBondContact CA-O 3.36Å; K1012-F1021 HydrophobicContact CB-CD1 3.92Å; K1012-F1021 HydrophobicContact CB-CE1 3.83Å; K1012-F1021 HydrophobicContact CD-CE1 3.88Å; K1012-F1021 HydrophobicContact CD-CZ 4.5Å; K1012-F1021 HydrophobicContact CG-CD1 4.22Å; K1012-F1021 HydrophobicContact CG-CE1 3.71Å; K1012-F1021 HydrophobicContact CG-CZ 4.43Å
1013	L	96	Very high	92.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.7	170.9	-57.9	-172.2	0	0	0	109.2	L974 L991 Y994 T995 V996 F1011 Y1020 F1022 I1037	L974-L1013 HydrophobicContact CD1-CD1 3.82Å; L991-L1013 HydrophobicContact CD2-CD1 3.96Å; Y994-L1013 HydrophobicContact CD1-CB 4.02Å; T995-L1013 WeakPolarHBondContact O-CA 3.41Å; V996-L1013 HydrophobicContact CB-CD2 4.21Å; V996-L1013 HydrophobicContact CG1-CD2 3.88Å; V996-L1013 HydrophobicContact CG2-CD2 3.89Å; F1011-L1013 HydrophobicContact CD2-CD2 3.87Å; F1011-L1013 HydrophobicContact CD2-CG 4.07Å; F1011-L1013 HydrophobicContact CE2-CD1 4.22Å; F1011-L1013 HydrophobicContact CE2-CD2 4Å; F1011-L1013 HydrophobicContact CE2-CG 4.02Å; L1013-Y1020 PolarHBondContact N-O 3.06Å; L1013-Y1020 PolarHBondContact O-N 3.09Å; L1013-F1022 HydrophobicContact CD1-CD2 3.97Å; L1013-F1022 HydrophobicContact CD1-CE2 3.7Å; L1013-F1022 HydrophobicContact CG-CD2 4.09Å; L1013-F1022 HydrophobicContact CG-CE2 4.18Å; L1013-I1037 HydrophobicContact CD1-CD1 4.39Å; L1013-I1037 HydrophobicContact CD1-CG2 4.49Å; L1013-I1037 HydrophobicContact CD2-CG2 3.89Å
1014	Q	93.1	Very high	92.5	Very high	66 Å²	66	56 Å²	56	31%	0.308	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.7	-178.3	175.7	166.1	-3	0	0	112.5	Y994 T995 K1012 H1018 V1019	Y994-Q1014 CarbonylContact C-O 3.57Å; Y994-Q1014 WeakPolarHBondContact CA-O 3.33Å; T995-Q1014 PolarHBondContact N-O 3.45Å; T995-Q1014 PolarHBondContact O-N 2.72Å; T995-Q1014 VanDerWaalsContact O-N 3.08Å; T995-Q1014 PolarHBondContact OG1-O 3.24Å; K1012-Q1014 VanDerWaalsContact CE-OE1 3.23Å; Q1014-H1018 WeakPolarHBondContact CA-O 3.46Å; Q1014-V1019 HydrophobicContact CB-CG2 4.35Å; Q1014-V1019 HydrophobicContact CG-CG2 3.96Å
1015	F	90.6	Very high	92.9	Very high	38 Å²	38	55 Å²	55	17%	0.167	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	112.6	169.6	-180	-111	0	0	0	109.9	R931 G993 Y994 S1017 H1018	R931-F1015 HydrophobicContact CB-CZ 4.47Å; R931-F1015 HydrophobicContact CG-CE1 4.48Å; R931-F1015 HydrophobicContact CG-CZ 3.87Å; G993-F1015 WeakPolarHBondContact O-CD2 3.24Å; Y994-F1015 HydrophobicContact CD1-CB 3.63Å; Y994-F1015 HydrophobicContact CD2-CB 3.68Å; Y994-F1015 HydrophobicContact CD2-CG 4.14Å; Y994-F1015 HydrophobicContact CE1-CB 3.46Å; Y994-F1015 VanDerWaalsContact CE1-CB 3.46Å; Y994-F1015 HydrophobicContact CE2-CB 3.52Å; Y994-F1015 HydrophobicContact CE2-CD1 4.21Å; Y994-F1015 AromaticContact CE2-CG 3.93Å; Y994-F1015 HydrophobicContact CE2-CG 3.93Å; Y994-F1015 HydrophobicContact CG-CB 3.73Å; F1015-S1017 PolarHBondContact O-N 2.77Å; F1015-H1018 PolarHBondContact N-O 3.48Å; F1015-H1018 WeakPolarHBondContact O-CB 3.43Å; F1015-H1018 PolarHBondContact O-N 3.41Å
1016	K	89.4	Confident	93.1	Very high	154 Å²	154	54.2 Å²	54.2	67%	0.67	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	-120.1	-172.6	-54.6	-179.8	-178.9	-178.5	0	109.8
1017	S	86.9	Confident	93.5	Very high	82 Å²	82	51.4 Å²	51.4	57%	0.573	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.7	177.6	41	0	0	0	0	114.7	E293 F1015	E293-S1017 PolarHBondContact OE2-OG 2.79Å; E293-S1017 VanDerWaalsContact OE2-OG 3.07Å; F1015-S1017 PolarHBondContact O-N 2.77Å
1018	H	89.4	Confident	93.8	Very high	98 Å²	98	47.5 Å²	47.5	45%	0.454	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.7	174.1	-61.6	-90.1	0	0	0	110.9	Q1014 F1015 Y1020	Q1014-H1018 WeakPolarHBondContact CA-O 3.46Å; F1015-H1018 PolarHBondContact N-O 3.48Å; F1015-H1018 WeakPolarHBondContact O-CB 3.43Å; F1015-H1018 PolarHBondContact O-N 3.41Å; H1018-Y1020 HydrophobicContact CB-CE2 3.99Å
1019	V	93.3	Very high	94	Very high	23 Å²	23	42.2 Å²	42.2	14%	0.139	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.9	177.9	-174.7	0	0	0	0	110.3	K957 K1012 Q1014 F1021	K957-V1019 HydrophobicContact CB-CB 4.18Å; K957-V1019 HydrophobicContact CB-CG1 4.37Å; K957-V1019 HydrophobicContact CD-CG1 4.44Å; K1012-V1019 HydrophobicContact CG-CG1 4.3Å; Q1014-V1019 HydrophobicContact CB-CG2 4.35Å; Q1014-V1019 HydrophobicContact CG-CG2 3.96Å; V1019-F1021 HydrophobicContact CG1-CE1 4.3Å; V1019-F1021 HydrophobicContact CG1-CE2 3.73Å; V1019-F1021 HydrophobicContact CG1-CZ 3.58Å
1020	Y	94.9	Very high	94	Very high	33 Å²	33	40.4 Å²	40.4	13%	0.129	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146	177.4	-52.4	-99.4	0	0	0	109.9	F956 L989 Y994 K1012 L1013 H1018 F1022	F956-Y1020 AromaticContact CD1-CD1 3.93Å; F956-Y1020 HydrophobicContact CD1-CD1 3.93Å; F956-Y1020 AromaticContact CD1-CE1 3.94Å; F956-Y1020 HydrophobicContact CD1-CE1 3.94Å; F956-Y1020 AromaticContact CE1-CD1 3.89Å; F956-Y1020 HydrophobicContact CE1-CD1 3.89Å; F956-Y1020 AromaticContact CE1-CE1 3.58Å; F956-Y1020 HydrophobicContact CE1-CE1 3.58Å; L989-Y1020 HydrophobicContact CD1-CE2 3.96Å; L989-Y1020 HydrophobicContact CD2-CD1 4.47Å; L989-Y1020 HydrophobicContact CD2-CD2 4.1Å; L989-Y1020 HydrophobicContact CD2-CE1 4.3Å; L989-Y1020 HydrophobicContact CD2-CE2 3.94Å; L989-Y1020 HydrophobicContact CD2-CG 4.37Å; Y994-Y1020 HydrophobicContact CE1-CD2 4.02Å; Y994-Y1020 AromaticContact CE1-CE2 3.87Å; Y994-Y1020 HydrophobicContact CE1-CE2 3.87Å; K1012-Y1020 WeakPolarHBondContact CA-O 3.36Å; L1013-Y1020 PolarHBondContact N-O 3.06Å; L1013-Y1020 PolarHBondContact O-N 3.09Å; H1018-Y1020 HydrophobicContact CB-CE2 3.99Å; Y1020-F1022 HydrophobicContact CG-CE2 4.43Å
1021	F	96.6	Very high	94	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139	174.1	-59.2	-79.6	0	0	0	109.8	R954 K955 K957 W962 P999 D1003 I1005 V1010 F1011 K1012 V1019	R954-F1021 CarbonylContact C-O 3.56Å; R954-F1021 WeakPolarHBondContact CA-O 3.28Å; K955-F1021 HydrophobicContact CB-CB 4.39Å; K955-F1021 PolarHBondContact N-O 2.9Å; K955-F1021 PolarHBondContact O-N 2.88Å; K957-F1021 HydrophobicContact CB-CE2 3.86Å; K957-F1021 HydrophobicContact CG-CE2 4.27Å; W962-F1021 HydrophobicContact CH2-CB 3.95Å; W962-F1021 HydrophobicContact CZ3-CB 4.19Å; P999-F1021 HydrophobicContact CB-CD1 4.48Å; P999-F1021 HydrophobicContact CB-CE1 4.16Å; P999-F1021 HydrophobicContact CG-CD1 4.1Å; P999-F1021 HydrophobicContact CG-CE1 4.27Å; D1003-F1021 HydrophobicContact CB-CE1 3.97Å; D1003-F1021 HydrophobicContact CB-CZ 3.7Å; D1003-F1021 VanDerWaalsContact CG-CZ 3.44Å; D1003-F1021 WeakPolarHBondContact OD1-CZ 3.28Å; I1005-F1021 HydrophobicContact CD1-CB 3.92Å; I1005-F1021 HydrophobicContact CD1-CD1 3.35Å; I1005-F1021 HydrophobicContact CD1-CD2 3.62Å; I1005-F1021 HydrophobicContact CD1-CE1 3.64Å; I1005-F1021 HydrophobicContact CD1-CE2 3.91Å; I1005-F1021 HydrophobicContact CD1-CG 3.32Å; I1005-F1021 HydrophobicContact CD1-CZ 3.92Å; V1010-F1021 HydrophobicContact CG1-CB 4.14Å; V1010-F1021 HydrophobicContact CG1-CD1 4.33Å; F1011-F1021 WeakPolarHBondContact O-CA 3.3Å; K1012-F1021 HydrophobicContact CB-CD1 3.92Å; K1012-F1021 HydrophobicContact CB-CE1 3.83Å; K1012-F1021 HydrophobicContact CD-CE1 3.88Å; K1012-F1021 HydrophobicContact CD-CZ 4.5Å; K1012-F1021 HydrophobicContact CG-CD1 4.22Å; K1012-F1021 HydrophobicContact CG-CE1 3.71Å; K1012-F1021 HydrophobicContact CG-CZ 4.43Å; V1019-F1021 HydrophobicContact CG1-CE1 4.3Å; V1019-F1021 HydrophobicContact CG1-CE2 3.73Å; V1019-F1021 HydrophobicContact CG1-CZ 3.58Å
1022	F	97.6	Very high	94	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.9	-178.6	-71.1	-85.8	0	0	0	109.5	L952 L953 R954 L974 F976 V1010 F1011 L1013 Y1020	L952-F1022 HydrophobicContact CB-CD1 4.25Å; L952-F1022 HydrophobicContact CD1-CB 4.34Å; L952-F1022 HydrophobicContact CD1-CD1 3.97Å; L952-F1022 HydrophobicContact CD1-CG 4.44Å; L953-F1022 CarbonylContact O-C 3.59Å; L953-F1022 VanDerWaalsContact O-CA 3.3Å; L953-F1022 WeakPolarHBondContact O-CA 3.46Å; R954-F1022 HydrophobicContact CB-CD1 3.99Å; R954-F1022 HydrophobicContact CB-CE1 3.74Å; R954-F1022 HydrophobicContact CB-CZ 4.48Å; R954-F1022 HydrophobicContact CG-CD1 4.1Å; R954-F1022 HydrophobicContact CG-CE1 3.53Å; R954-F1022 HydrophobicContact CG-CZ 3.78Å; L974-F1022 HydrophobicContact CD1-CE2 4.43Å; L974-F1022 HydrophobicContact CD1-CZ 4.2Å; F976-F1022 AromaticContact CE1-CE1 3.67Å; F976-F1022 HydrophobicContact CE1-CE1 3.67Å; F976-F1022 AromaticContact CE1-CZ 3.78Å; F976-F1022 HydrophobicContact CE1-CZ 3.78Å; F976-F1022 HydrophobicContact CZ-CE1 4.25Å; F976-F1022 AromaticContact CZ-CZ 3.87Å; F976-F1022 HydrophobicContact CZ-CZ 3.87Å; V1010-F1022 CarbonylContact C-O 3.53Å; V1010-F1022 VanDerWaalsContact CA-O 3.28Å; V1010-F1022 WeakPolarHBondContact CA-O 3.42Å; F1011-F1022 HydrophobicContact CD1-CB 4.07Å; F1011-F1022 WeakPolarHBondContact CD1-O 3.45Å; F1011-F1022 HydrophobicContact CD2-CB 4.04Å; F1011-F1022 HydrophobicContact CD2-CD2 4.45Å; F1011-F1022 HydrophobicContact CE1-CB 3.62Å; F1011-F1022 HydrophobicContact CE2-CB 3.59Å; F1011-F1022 AromaticContact CE2-CD2 3.89Å; F1011-F1022 HydrophobicContact CE2-CD2 3.89Å; F1011-F1022 AromaticContact CE2-CG 3.96Å; F1011-F1022 HydrophobicContact CE2-CG 3.96Å; F1011-F1022 HydrophobicContact CG-CB 4.27Å; F1011-F1022 HydrophobicContact CZ-CB 3.37Å; F1011-F1022 HydrophobicContact CZ-CD2 4.36Å; F1011-F1022 AromaticContact CZ-CG 3.97Å; F1011-F1022 HydrophobicContact CZ-CG 3.97Å; F1011-F1022 PolarHBondContact N-O 3.29Å; F1011-F1022 PolarHBondContact O-N 3.47Å; L1013-F1022 HydrophobicContact CD1-CD2 3.97Å; L1013-F1022 HydrophobicContact CD1-CE2 3.7Å; L1013-F1022 HydrophobicContact CG-CD2 4.09Å; L1013-F1022 HydrophobicContact CG-CE2 4.18Å; Y1020-F1022 HydrophobicContact CG-CE2 4.43Å
1023	R	97.1	Very high	94.1	Very high	62 Å²	62	45.6 Å²	45.6	23%	0.234	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.8	175.3	-179.3	173.5	-174.5	-113	1.9	110.7	L953 W962 E1008 Y1009 V1010	L953-R1023 HydrophobicContact CB-CB 4.06Å; L953-R1023 PolarHBondContact N-O 3.32Å; L953-R1023 PolarHBondContact O-N 3.07Å; W962-R1023 HydrophobicContact CE3-CB 4.29Å; W962-R1023 HydrophobicContact CH2-CB 4.15Å; W962-R1023 HydrophobicContact CZ3-CB 3.82Å; E1008-R1023 WeakPolarHBondContact O-CD 3.47Å; E1008-R1023 WeakPolarHBondContact O-CG 3.27Å; E1008-R1023 PolarHBondContact O-NE 2.85Å; Y1009-R1023 WeakPolarHBondContact O-CA 3.11Å; V1010-R1023 HydrophobicContact CG2-CB 3.9Å; V1010-R1023 HydrophobicContact CG2-CG 4.11Å
1024	A	96.4	Very high	94.1	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.025	22%	0.222	C	C	.	.			trans	-85.8	172.2	171.9	0	0	0	0	0	112.2	L952 Y1009 T1029 F1030	L952-A1024 HydrophobicContact CD2-CB 4.1Å; Y1009-A1024 PolarHBondContact O-N 3.5Å; A1024-T1029 HydrophobicContact CB-CG2 4.08Å; A1024-F1030 HydrophobicContact CB-CB 3.81Å
1025	E	92.1	Very high	94.2	Very high	68 Å²	68	48 Å²	48	32%	0.318	23%	0.23	S	C	.	.	S	Bend	trans	-88.3	-12.9	178.8	55.7	163.9	-142	0	0	114.8	F547 K550 T1029	F547-E1025 WeakPolarHBondContact CE1-OE1 3.34Å; K550-E1025 VanDerWaalsContact CE-OE1 3.25Å; K550-E1025 WeakPolarHBondContact CE-OE1 3.1Å; K550-E1025 IonicContact NZ-OE1 2.66Å; K550-E1025 PolarHBondContact NZ-OE1 3.35Å; K550-E1025 IonicContact NZ-OE2 3.85Å; K550-E1025 PolarHBondContact NZ-OE2 2.7Å; E1025-T1029 HydrophobicContact CG-CG2 4.38Å
1026	S	92.2	Very high	94.4	Very high	11 Å²	11	46.2 Å²	46.2	8%	0.077	22%	0.222	C	C	.	.	S	Bend	trans	-158.4	167.5	-179.2	69.2	0	0	0	0	111.3	F547 T1029 F1030	F547-S1026 WeakPolarHBondContact CD1-OG 3.38Å; F547-S1026 VanDerWaalsContact CE1-CB 3.47Å; F547-S1026 VanDerWaalsContact CE1-OG 3.25Å; F547-S1026 WeakPolarHBondContact CE1-OG 3.29Å; F547-S1026 VanDerWaalsContact CZ-CB 3.43Å; S1026-T1029 PolarHBondContact O-N 2.99Å; S1026-T1029 WeakPolarHBondContact OG-CB 3.12Å; S1026-T1029 PolarHBondContact OG-N 3.31Å; S1026-T1029 PolarHBondContact OG-OG1 3.33Å; S1026-T1029 VanDerWaalsContact OG-OG1 3.12Å; S1026-F1030 WeakPolarHBondContact O-CB 3.48Å; S1026-F1030 PolarHBondContact O-N 3.28Å
1027	E	93.6	Very high	94.7	Very high	121 Å²	121	38.9 Å²	38.9	57%	0.565	19%	0.19	S	C	*	.	H	α-helix	trans	-57.3	-55.9	175.4	-172.9	166.5	-128.6	0	0	112.6	Y1009 T1029 F1030 E1031	Y1009-E1027 HydrophobicContact CD1-CB 4.15Å; Y1009-E1027 VanDerWaalsContact CE1-CA 3.49Å; Y1009-E1027 HydrophobicContact CE1-CB 3.49Å; Y1009-E1027 VanDerWaalsContact CE1-CB 3.49Å; Y1009-E1027 HydrophobicContact CE1-CG 4.05Å; E1027-T1029 VanDerWaalsContact C-N 3.29Å; E1027-T1029 PolarHBondContact O-N 3.28Å; E1027-F1030 WeakPolarHBondContact O-CA 3.34Å; E1027-F1030 WeakPolarHBondContact O-CB 3.44Å; E1027-F1030 PolarHBondContact O-N 2.66Å; E1027-E1031 PolarHBondContact O-N 2.99Å
1028	Y	93.7	Very high	95	Very high	20 Å²	20	39.4 Å²	39.4	8%	0.078	18%	0.182	C	C	.	.	H	α-helix	trans	-54.5	-45.3	177.8	170.9	-94.7	0	0	0	112.2	K544 F547 I548 E551 R703 F1030 E1031 R1032	K544-Y1028 HydrophobicContact CD-CD2 4.17Å; K544-Y1028 HydrophobicContact CG-CD2 3.84Å; K544-Y1028 HydrophobicContact CG-CE2 4.38Å; K544-Y1028 HydrophobicContact CG-CG 4.32Å; F547-Y1028 HydrophobicContact CB-CD1 3.4Å; F547-Y1028 VanDerWaalsContact CB-CD1 3.4Å; F547-Y1028 HydrophobicContact CB-CE1 4.02Å; F547-Y1028 HydrophobicContact CB-CG 4.14Å; F547-Y1028 HydrophobicContact CG-CD1 4.39Å; I548-Y1028 HydrophobicContact CG1-CE1 4.07Å; I548-Y1028 HydrophobicContact CG1-CE2 3.92Å; I548-Y1028 WeakPolarHBondContact CG1-OH 3.19Å; E551-Y1028 PolarHBondContact OE2-OH 3.39Å; R703-Y1028 VanDerWaalsContact CZ-OH 3.26Å; R703-Y1028 PolarHBondContact NE-OH 3.19Å; R703-Y1028 PolarHBondContact NH2-OH 2.92Å; R703-Y1028 VanDerWaalsContact NH2-OH 3.14Å; Y1028-F1030 VanDerWaalsContact C-N 3.31Å; Y1028-F1030 PolarHBondContact O-N 3.19Å; Y1028-E1031 PolarHBondContact O-N 2.97Å; Y1028-R1032 HydrophobicContact CE1-CB 4.39Å; Y1028-R1032 VanDerWaalsContact O-CB 3.22Å; Y1028-R1032 WeakPolarHBondContact O-CB 3.31Å; Y1028-R1032 PolarHBondContact O-N 2.92Å
1029	T	95.4	Very high	95	Very high	22 Å²	22	36.7 Å²	36.7	14%	0.135	17%	0.174	C	C	.	.	H	α-helix	trans	-68.2	-33.4	-180	-59.2	0	0	0	0	111	A1024 E1025 S1026 E1027 W1033	A1024-T1029 HydrophobicContact CB-CG2 4.08Å; E1025-T1029 HydrophobicContact CG-CG2 4.38Å; S1026-T1029 PolarHBondContact O-N 2.99Å; S1026-T1029 WeakPolarHBondContact OG-CB 3.12Å; S1026-T1029 PolarHBondContact OG-N 3.31Å; S1026-T1029 PolarHBondContact OG-OG1 3.33Å; S1026-T1029 VanDerWaalsContact OG-OG1 3.12Å; E1027-T1029 VanDerWaalsContact C-N 3.29Å; E1027-T1029 PolarHBondContact O-N 3.28Å; T1029-W1033 WeakPolarHBondContact O-CB 3.11Å; T1029-W1033 PolarHBondContact O-N 3.01Å
1030	F	97.1	Very high	94.6	Very high	35 Å²	35	35.7 Å²	35.7	15%	0.154	17%	0.168	C	C	.	.	H	α-helix	trans	-64.6	-50.2	171.6	158.4	-100.3	0	0	0	112.5	T998 Y1009 V1010 F1011 A1024 S1026 E1027 Y1028 R1032 W1033 M1034	T998-F1030 HydrophobicContact CG2-CZ 4.26Å; Y1009-F1030 VanDerWaalsContact C-CD2 3.47Å; Y1009-F1030 HydrophobicContact CD1-CB 4.38Å; Y1009-F1030 HydrophobicContact CD1-CD1 4.48Å; Y1009-F1030 HydrophobicContact CG-CB 4.45Å; Y1009-F1030 WeakPolarHBondContact O-CD2 3.44Å; V1010-F1030 WeakPolarHBondContact O-CE2 3.46Å; F1011-F1030 HydrophobicContact CB-CD2 4.44Å; F1011-F1030 HydrophobicContact CB-CE2 4.01Å; F1011-F1030 HydrophobicContact CD1-CD2 4.2Å; A1024-F1030 HydrophobicContact CB-CB 3.81Å; S1026-F1030 WeakPolarHBondContact O-CB 3.48Å; S1026-F1030 PolarHBondContact O-N 3.28Å; E1027-F1030 WeakPolarHBondContact O-CA 3.34Å; E1027-F1030 WeakPolarHBondContact O-CB 3.44Å; E1027-F1030 PolarHBondContact O-N 2.66Å; Y1028-F1030 VanDerWaalsContact C-N 3.31Å; Y1028-F1030 PolarHBondContact O-N 3.19Å; F1030-R1032 VanDerWaalsContact C-N 3.34Å; F1030-R1032 PolarHBondContact O-N 3.4Å; F1030-W1033 PolarHBondContact O-N 2.9Å; F1030-M1034 HydrophobicContact CD2-CG 4.42Å; F1030-M1034 HydrophobicContact CD2-SD 4.2Å; F1030-M1034 HydrophobicContact CE1-SD 4.11Å; F1030-M1034 HydrophobicContact CE2-CG 4.17Å; F1030-M1034 HydrophobicContact CE2-SD 3.43Å; F1030-M1034 WeakPolarHBondContact CE2-SD 3.27Å; F1030-M1034 HydrophobicContact CZ-SD 3.38Å; F1030-M1034 WeakPolarHBondContact CZ-SD 3.49Å; F1030-M1034 WeakPolarHBondContact O-CG 3.45Å; F1030-M1034 PolarHBondContact O-N 3.05Å
1031	E	96.4	Very high	93.8	Very high	105 Å²	105	34.1 Å²	34.1	49%	0.491	16%	0.162	S	C	.	.	H	α-helix	trans	-55.7	-50	175.6	-67.9	-171.9	130.6	0	0	110.9	E1027 Y1028 W1033 M1034 E1035	E1027-E1031 PolarHBondContact O-N 2.99Å; Y1028-E1031 PolarHBondContact O-N 2.97Å; E1031-W1033 PolarHBondContact O-N 2.72Å; E1031-M1034 PolarHBondContact O-N 3.48Å; E1031-M1034 VanDerWaalsContact O-N 3.14Å; E1031-E1035 WeakPolarHBondContact O-CB 3.25Å; E1031-E1035 PolarHBondContact O-N 2.85Å
1032	R	96.6	Very high	92.3	Very high	12 Å²	12	36.1 Å²	36.1	5%	0.045	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-39.7	-178.1	-176.6	55.3	176	150.5	10.6	113	E551 R703 L948 Y1028 F1030 E1035 V1036	E551-R1032 IonicContact OE1-CZ 2.59Å; E551-R1032 IonicContact OE1-NE 2.68Å; E551-R1032 PolarHBondContact OE1-NE 3.29Å; E551-R1032 IonicContact OE1-NH2 3.41Å; E551-R1032 PolarHBondContact OE1-NH2 2.59Å; E551-R1032 WeakPolarHBondContact OE2-CG 3.49Å; E551-R1032 IonicContact OE2-NE 2.84Å; E551-R1032 PolarHBondContact OE2-NE 3.19Å; R703-R1032 VanDerWaalsContact NH1-CZ 3.29Å; L948-R1032 HydrophobicContact CD1-CG 4.46Å; L948-R1032 HydrophobicContact CD2-CG 4.12Å; Y1028-R1032 HydrophobicContact CE1-CB 4.39Å; Y1028-R1032 VanDerWaalsContact O-CB 3.22Å; Y1028-R1032 WeakPolarHBondContact O-CB 3.31Å; Y1028-R1032 PolarHBondContact O-N 2.92Å; F1030-R1032 VanDerWaalsContact C-N 3.34Å; F1030-R1032 PolarHBondContact O-N 3.4Å; R1032-E1035 WeakPolarHBondContact CD-OE2 3.3Å; R1032-E1035 IonicContact CZ-OE2 3.54Å; R1032-E1035 IonicContact NE-OE2 2.66Å; R1032-E1035 VanDerWaalsContact NH1-CD 3.3Å; R1032-E1035 IonicContact NH1-OE1 3.08Å; R1032-E1035 IonicContact NH1-OE2 2.93Å; R1032-E1035 PolarHBondContact NH1-OE2 3.23Å; R1032-E1035 PolarHBondContact O-N 2.94Å; R1032-V1036 PolarHBondContact O-N 2.98Å
1033	W	97.7	Very high	90.1	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.015	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-36.6	172.9	-87.4	106.8	0	0	0	112.5	L948 L952 V967 F969 L974 F1011 T1029 F1030 E1031 V1036 I1037	L948-W1033 HydrophobicContact CD2-CD2 3.52Å; L948-W1033 HydrophobicContact CD2-CE3 3.82Å; L948-W1033 HydrophobicContact CD2-CG 3.85Å; L948-W1033 HydrophobicContact CD2-CH2 4.46Å; L948-W1033 HydrophobicContact CD2-CZ2 4.2Å; L948-W1033 HydrophobicContact CD2-CZ3 4.29Å; L948-W1033 HydrophobicContact CG-CD2 4.33Å; L948-W1033 HydrophobicContact CG-CH2 4.32Å; L948-W1033 HydrophobicContact CG-CZ2 4.11Å; L952-W1033 HydrophobicContact CD1-CD2 3.79Å; L952-W1033 HydrophobicContact CD1-CE3 4.06Å; L952-W1033 HydrophobicContact CD1-CG 4.26Å; L952-W1033 HydrophobicContact CD1-CH2 4.28Å; L952-W1033 HydrophobicContact CD1-CZ2 4.02Å; L952-W1033 HydrophobicContact CD1-CZ3 4.28Å; L952-W1033 HydrophobicContact CD2-CD2 4.44Å; L952-W1033 HydrophobicContact CD2-CG 4.2Å; L952-W1033 HydrophobicContact CG-CD2 4.39Å; L952-W1033 HydrophobicContact CG-CZ2 4.25Å; V967-W1033 HydrophobicContact CB-CH2 3.89Å; V967-W1033 HydrophobicContact CB-CZ2 4.28Å; V967-W1033 HydrophobicContact CG1-CH2 3.84Å; V967-W1033 HydrophobicContact CG1-CZ3 4.22Å; F969-W1033 HydrophobicContact CB-CH2 4.29Å; F969-W1033 HydrophobicContact CB-CZ3 3.82Å; L974-W1033 HydrophobicContact CD2-CZ3 3.91Å; F1011-W1033 HydrophobicContact CE1-CB 3.67Å; F1011-W1033 HydrophobicContact CE1-CG 4.35Å; F1011-W1033 HydrophobicContact CZ-CB 3.96Å; T1029-W1033 WeakPolarHBondContact O-CB 3.11Å; T1029-W1033 PolarHBondContact O-N 3.01Å; F1030-W1033 PolarHBondContact O-N 2.9Å; E1031-W1033 PolarHBondContact O-N 2.72Å; W1033-V1036 HydrophobicContact CE3-CG2 4.37Å; W1033-I1037 HydrophobicContact CE3-CD1 3.88Å; W1033-I1037 HydrophobicContact CE3-CG1 4.33Å; W1033-I1037 HydrophobicContact CZ3-CD1 4.44Å; W1033-I1037 WeakPolarHBondContact O-CB 3.36Å; W1033-I1037 WeakPolarHBondContact O-CD1 3.43Å; W1033-I1037 VanDerWaalsContact O-CG1 3.24Å; W1033-I1037 WeakPolarHBondContact O-CG1 3.48Å; W1033-I1037 PolarHBondContact O-N 2.77Å
1034	M	96.1	Very high	87.3	Confident	15 Å²	15	38.8 Å²	38.8	7%	0.074	20%	0.199	C	C	.	.	H	α-helix	trans	-69.1	-38	174.2	-71.3	-168.2	84.1	0	0	112.4	V996 F1011 F1030 E1031 K1038	V996-M1034 HydrophobicContact CG1-CE 4.01Å; V996-M1034 HydrophobicContact CG1-CG 4.45Å; F1011-M1034 HydrophobicContact CB-CE 4.08Å; F1011-M1034 HydrophobicContact CB-CG 3.68Å; F1011-M1034 HydrophobicContact CB-SD 3.87Å; F1011-M1034 HydrophobicContact CD1-CG 4.21Å; F1011-M1034 HydrophobicContact CG-CG 4Å; F1030-M1034 HydrophobicContact CD2-CG 4.42Å; F1030-M1034 HydrophobicContact CD2-SD 4.2Å; F1030-M1034 HydrophobicContact CE1-SD 4.11Å; F1030-M1034 HydrophobicContact CE2-CG 4.17Å; F1030-M1034 HydrophobicContact CE2-SD 3.43Å; F1030-M1034 WeakPolarHBondContact CE2-SD 3.27Å; F1030-M1034 HydrophobicContact CZ-SD 3.38Å; F1030-M1034 WeakPolarHBondContact CZ-SD 3.49Å; F1030-M1034 WeakPolarHBondContact O-CG 3.45Å; F1030-M1034 PolarHBondContact O-N 3.05Å; E1031-M1034 PolarHBondContact O-N 3.48Å; E1031-M1034 VanDerWaalsContact O-N 3.14Å; M1034-K1038 VanDerWaalsContact O-CB 3.22Å; M1034-K1038 WeakPolarHBondContact O-CB 3.31Å; M1034-K1038 WeakPolarHBondContact O-CD 3.19Å; M1034-K1038 WeakPolarHBondContact O-CG 3.38Å; M1034-K1038 PolarHBondContact O-N 3.29Å
1035	E	94.9	Very high	84.4	Confident	102 Å²	102	42.3 Å²	42.3	48%	0.477	24%	0.236	S	C	.	.	H	α-helix	trans	-57	-60.1	176	-177	-166.9	-166.9	0	0	111.1	E1031 R1032 I1037 K1038 S1039	E1031-E1035 WeakPolarHBondContact O-CB 3.25Å; E1031-E1035 PolarHBondContact O-N 2.85Å; R1032-E1035 WeakPolarHBondContact CD-OE2 3.3Å; R1032-E1035 IonicContact CZ-OE2 3.54Å; R1032-E1035 IonicContact NE-OE2 2.66Å; R1032-E1035 VanDerWaalsContact NH1-CD 3.3Å; R1032-E1035 IonicContact NH1-OE1 3.08Å; R1032-E1035 IonicContact NH1-OE2 2.93Å; R1032-E1035 PolarHBondContact NH1-OE2 3.23Å; R1032-E1035 PolarHBondContact O-N 2.94Å; E1035-I1037 VanDerWaalsContact C-N 3.34Å; E1035-I1037 PolarHBondContact O-N 3.47Å; E1035-K1038 PolarHBondContact O-N 3.07Å; E1035-S1039 PolarHBondContact O-N 3.14Å; E1035-S1039 VanDerWaalsContact O-N 3.17Å
1036	V	95.6	Very high	81.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-32.1	-175.2	-57.5	0	0	0	0	113.3	N946 L948 F969 R1032 W1033 S1039	N946-V1036 HydrophobicContact CB-CB 3.95Å; N946-V1036 HydrophobicContact CB-CG1 3.95Å; N946-V1036 WeakPolarHBondContact O-CB 3.44Å; N946-V1036 WeakPolarHBondContact O-CG1 3.47Å; L948-V1036 HydrophobicContact CB-CG1 4.47Å; L948-V1036 HydrophobicContact CB-CG2 4Å; L948-V1036 HydrophobicContact CD2-CG1 4.27Å; L948-V1036 HydrophobicContact CD2-CG2 3.56Å; L948-V1036 HydrophobicContact CG-CG2 4.43Å; F969-V1036 HydrophobicContact CD1-CB 4Å; F969-V1036 HydrophobicContact CD1-CG2 3.75Å; F969-V1036 HydrophobicContact CE1-CB 3.94Å; F969-V1036 HydrophobicContact CE1-CG2 4.14Å; F969-V1036 WeakPolarHBondContact CE1-O 3.44Å; R1032-V1036 PolarHBondContact O-N 2.98Å; W1033-V1036 HydrophobicContact CE3-CG2 4.37Å; V1036-S1039 PolarHBondContact O-OG 3.1Å; V1036-S1039 VanDerWaalsContact O-OG 3.1Å
1037	I	95.4	Very high	78.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-76.3	-36	176.8	-61.7	172.9	0	0	0	110.2	L974 L991 V996 F1011 L1013 W1033 E1035 A1040 A1041	L974-I1037 HydrophobicContact CD1-CD1 4.33Å; L974-I1037 HydrophobicContact CD2-CD1 4.17Å; L974-I1037 HydrophobicContact CD2-CG1 4.48Å; L991-I1037 HydrophobicContact CD1-CG1 4.29Å; L991-I1037 HydrophobicContact CD1-CG2 3.81Å; V996-I1037 HydrophobicContact CG2-CB 4.43Å; V996-I1037 HydrophobicContact CG2-CG2 3.69Å; F1011-I1037 HydrophobicContact CE2-CD1 3.6Å; F1011-I1037 HydrophobicContact CZ-CD1 3.81Å; L1013-I1037 HydrophobicContact CD1-CD1 4.39Å; L1013-I1037 HydrophobicContact CD1-CG2 4.49Å; L1013-I1037 HydrophobicContact CD2-CG2 3.89Å; W1033-I1037 HydrophobicContact CE3-CD1 3.88Å; W1033-I1037 HydrophobicContact CE3-CG1 4.33Å; W1033-I1037 HydrophobicContact CZ3-CD1 4.44Å; W1033-I1037 WeakPolarHBondContact O-CB 3.36Å; W1033-I1037 WeakPolarHBondContact O-CD1 3.43Å; W1033-I1037 VanDerWaalsContact O-CG1 3.24Å; W1033-I1037 WeakPolarHBondContact O-CG1 3.48Å; W1033-I1037 PolarHBondContact O-N 2.77Å; E1035-I1037 VanDerWaalsContact C-N 3.34Å; E1035-I1037 PolarHBondContact O-N 3.47Å; I1037-A1040 PolarHBondContact O-N 3.44Å; I1037-A1041 HydrophobicContact CG2-CB 4.1Å; I1037-A1041 WeakPolarHBondContact O-CB 3.15Å; I1037-A1041 PolarHBondContact O-N 2.86Å
1038	K	92.9	Very high	75.9	Confident	92 Å²	92	47.7 Å²	47.7	40%	0.4	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-42.9	177	-82.2	171.6	179.3	176.3	0	112.6	V996 M1034 E1035 A1040 S1042	V996-K1038 HydrophobicContact CB-CG 3.7Å; V996-K1038 HydrophobicContact CG1-CG 3.97Å; V996-K1038 HydrophobicContact CG2-CG 4.03Å; M1034-K1038 VanDerWaalsContact O-CB 3.22Å; M1034-K1038 WeakPolarHBondContact O-CB 3.31Å; M1034-K1038 WeakPolarHBondContact O-CD 3.19Å; M1034-K1038 WeakPolarHBondContact O-CG 3.38Å; M1034-K1038 PolarHBondContact O-N 3.29Å; E1035-K1038 PolarHBondContact O-N 3.07Å; K1038-A1040 PolarHBondContact O-N 2.91Å; K1038-S1042 PolarHBondContact O-N 2.69Å; K1038-S1042 VanDerWaalsContact O-N 3.13Å; K1038-S1042 PolarHBondContact O-OG 3.1Å
1039	S	89.7	Confident	72.8	Confident	41 Å²	41	55 Å²	55	29%	0.287	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-28.9	-179.1	63.6	0	0	0	0	113.1	N946 E1035 V1036	N946-S1039 PolarHBondContact ND2-OG 3.35Å; E1035-S1039 PolarHBondContact O-N 3.14Å; E1035-S1039 VanDerWaalsContact O-N 3.17Å; V1036-S1039 PolarHBondContact O-OG 3.1Å; V1036-S1039 VanDerWaalsContact O-OG 3.1Å
1040	A	84.8	Confident	69.5	Low	3 Å²	3	61.9 Å²	61.9	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-102	-27	-179.6	0	0	0	0	0	115.6	F969 F972 I1037 K1038	F969-A1040 HydrophobicContact CE2-CB 4.18Å; F969-A1040 HydrophobicContact CZ-CB 3.52Å; F972-A1040 HydrophobicContact CD1-CB 3.86Å; F972-A1040 HydrophobicContact CE1-CB 4.49Å; I1037-A1040 PolarHBondContact O-N 3.44Å; K1038-A1040 PolarHBondContact O-N 2.91Å
1041	A	78.7	Confident	66.1	Low	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-89.3	-38.9	-177.3	0	0	0	0	0	112.5	L991 G993 Y994 V996 I1037	L991-A1041 HydrophobicContact CB-CB 4.13Å; L991-A1041 WeakPolarHBondContact O-CB 3.26Å; G993-A1041 WeakPolarHBondContact CA-O 3.13Å; G993-A1041 PolarHBondContact N-O 2.92Å; Y994-A1041 WeakPolarHBondContact O-CB 3.47Å; V996-A1041 HydrophobicContact CG2-CB 3.98Å; I1037-A1041 HydrophobicContact CG2-CB 4.1Å; I1037-A1041 WeakPolarHBondContact O-CB 3.15Å; I1037-A1041 PolarHBondContact O-N 2.86Å
1042	S	64.3	Low	62.7	Low	42 Å²	42	67.1 Å²	67.1	29%	0.294	38%	0.38	S	S	.	.			trans	-110.9	92.3	-176.5	50.2	0	0	0	0	111.6	K1038 T1044	K1038-S1042 PolarHBondContact O-N 2.69Å; K1038-S1042 VanDerWaalsContact O-N 3.13Å; K1038-S1042 PolarHBondContact O-OG 3.1Å; S1042-T1044 PolarHBondContact O-N 2.84Å
1043	T	51.3	Low	59.5	Low	33 Å²	33	77 Å²	77	20%	0.202	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	44.8	179.6	-26.2	0	0	0	0	113.2	K858	K858-T1043 VanDerWaalsContact CE-O 3.29Å; K858-T1043 WeakPolarHBondContact CE-O 3.47Å; K858-T1043 VanDerWaalsContact NZ-CB 3.35Å; K858-T1043 VanDerWaalsContact NZ-CG2 3.26Å; K858-T1043 PolarHBondContact NZ-O 2.94Å
1044	T	37.6	Very low	56	Low	86 Å²	86	80 Å²	80	53%	0.528	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-11.1	-175.5	-33.9	0	0	0	0	111.8	S1042 R1046	S1042-T1044 PolarHBondContact O-N 2.84Å; T1044-R1046 VanDerWaalsContact C-N 3.35Å; T1044-R1046 PolarHBondContact O-N 3.38Å
1045	G	35.3	Very low	52.6	Low	76 Å²	76	82.5 Å²	82.5	78%	0.784	49%	0.486	S	S	*	.			trans	-72.4	-13.7	-170.2	0	0	0	0	0	116.7	I1047	G1045-I1047 PolarHBondContact O-N 2.62Å
1046	R	38.1	Very low	49.4	Very low	97 Å²	97	83.8 Å²	83.8	37%	0.366	50%	0.503	S	S	.	.			trans	-83.7	57.1	176	-62.5	-165.8	-161.9	-174	3.5	112.1	D862 S936 S938 D939 T1044	D862-R1046 IonicContact OD1-NH1 2.71Å; S936-R1046 PolarHBondContact OG-NH2 2.63Å; S938-R1046 PolarHBondContact OG-NH2 3.35Å; D939-R1046 IonicContact OD1-CZ 3.36Å; D939-R1046 IonicContact OD1-NE 2.61Å; D939-R1046 IonicContact OD1-NH2 3.17Å; D939-R1046 PolarHBondContact OD1-NH2 2.89Å; D939-R1046 IonicContact OD2-NH2 2.72Å; T1044-R1046 VanDerWaalsContact C-N 3.35Å; T1044-R1046 PolarHBondContact O-N 3.38Å
1047	I	32	Very low	46.1	Very low	130 Å²	130	87.5 Å²	87.5	67%	0.667	54%	0.541	S	S	*	.	S	Bend	trans	-120	104.8	169.6	-61.7	-179.3	0	0	0	108.4	G1045	G1045-I1047 PolarHBondContact O-N 2.62Å
1048	S	30.3	Very low	42.9	Very low	86 Å²	86	96.3 Å²	96.3	60%	0.601	58%	0.582	S	S	*	*	S	Bend	trans	60.4	86.6	169.3	-156.9	0	0	0	0	117.7
1049	L	28.3	Very low	39.9	Very low	175 Å²	175	98.9 Å²	98.9	92%	0.916	60%	0.599	S	S	*	*	S	Bend	trans	-130.2	9.7	157.7	-91.3	177.8	0	0	0	114.5
1050	L	27.5	Very low	36.9	Very low	166 Å²	166	104.7 Å²	104.7	87%	0.869	63%	0.627	S	S	*	*			trans	-132.3	64.6	174.5	-72.8	177.3	0	0	0	112.1
1051	I	24.4	Very low	34.3	Very low	132 Å²	132	108.1 Å²	108.1	68%	0.677	66%	0.662	S	S	*	*			trans	-126.1	103.9	153.2	-59	179.2	0	0	0	107.1	K1053	I1051-K1053 PolarHBondContact O-N 3.01Å; I1051-K1053 VanDerWaalsContact O-N 3.1Å
1052	P	25.5	Very low	32	Very low	117 Å²	117	117.5 Å²	117.5	76%	0.76	73%	0.728	S	S	*	*			trans	-64	110.6	171.6	-20.5	33.3	0	0	0	110.2	G1054	P1052-G1054 PolarHBondContact O-N 2.75Å
1053	K	28.6	Very low	30.4	Very low	220 Å²	220	121.3 Å²	121.3	96%	0.957	75%	0.75	S	S	*	*			trans	-71.4	85.3	162.3	-81.3	-168.4	173.1	-174	0	108.3	I1051	I1051-K1053 PolarHBondContact O-N 3.01Å; I1051-K1053 VanDerWaalsContact O-N 3.1Å
1054	G	24.7	Very low	29.3	Very low	66 Å²	66	125.9 Å²	125.9	68%	0.68	78%	0.778	S	S	*	*			trans	-158.3	48.4	-172.4	0	0	0	0	0	113.2	P1052	P1052-G1054 PolarHBondContact O-N 2.75Å
1055	G	24.5	Very low	28.8	Very low	69 Å²	69	128.2 Å²	128.2	71%	0.711	79%	0.792	S	S	*	*			trans	-71.3	147.2	161.6	0	0	0	0	0	110.2
1056	P	28.6	Very low	28.4	Very low	128 Å²	128	131.2 Å²	131.2	83%	0.831	79%	0.793	S	S	*	*			trans	-61.7	136.2	178.2	-21.4	33.2	0	0	0	112	E1058	P1056-E1058 PolarHBondContact O-N 3.34Å
1057	G	25.5	Very low	27.8	Very low	78 Å²	78	133.4 Å²	133.4	80%	0.804	82%	0.819	S	S	*	*			trans	-87.2	91	175.7	0	0	0	0	0	112	I1059	G1057-I1059 PolarHBondContact O-N 3.32Å
1058	E	27.3	Very low	27.6	Very low	185 Å²	185	133.6 Å²	133.6	86%	0.864	83%	0.83	S	S	*	*			trans	-84.7	96.5	166.2	-70.7	-164	144.3	0	0	111	P1056	P1056-E1058 PolarHBondContact O-N 3.34Å
1059	I	31.2	Very low	27.4	Very low	147 Å²	147	137 Å²	137	75%	0.754	85%	0.846	S	S	*	*			trans	21.7	114.8	138	-51.7	167.6	0	0	0	116.4	G1057	G1057-I1059 PolarHBondContact O-N 3.32Å
1060	N	25.8	Very low	27.3	Very low	163 Å²	163	134.1 Å²	134.1	87%	0.872	84%	0.841	S	S	*	*				-167	159.4	122.4	-103.3	-55.8	0	0	0	112.8
1061	G	31.5	Very low	27.3	Very low	74 Å²	74	131.4 Å²	131.4	76%	0.763	84%	0.838	S	S	*	*			trans	-51.5	166.5	-166.2	0	0	0	0	0	118
1062	S	29.6	Very low	27.5	Very low	198 Å²	198	131.4 Å²	131.4	100%	1.385	85%	0.853	S	S	*	*			cis	-153.9	0	33.6	52.9	0	0	0	0	113.7

Retrieved 1,062 of 1,062 residues in 592.3 ms (Link to these results)

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