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Solute carrier family 12 member 5

Mediates electroneutral potassium-chloride cotransport in mature neurons and is required for neuronal Cl(-) homeostasis. As major extruder of intracellular chloride, it establishes the low neuronal Cl(-) levels required for chloride influx after binding of GABA-A and glycine to their receptors, with subsequent hyperpolarization and neuronal inhibition. Involved in the regulation of dendritic spine formation and maturation.

AlphaFold DB , UniProt , Accession A0A076FR46, Species MOUSE (Mus musculus, Mouse), Gene Slc12a5, Length 1,133 aa.

						>A0A076FR46_MOUSE|A0A076FR46|Slc12a5
MSRRFTVTSLPPAASAASADPESRRHSVADPRRLPREDVKGDGNPKESSPFINSTDTEKGREYDGRNMALFEEEMDTSPMVSSLLSGLANYTNLPQGSREHEEAENNEGGKKKPVQAPRMGTFMGVYLPCLQNIFGVILFLRLTWVVGIAGIMESFCMVFICCSCTMLTAISMSAIATNGVVPAGGSYYMISRSLGPEFGGAVGLCFYLGTTFAGAMYILGTIEILLAYLFPAMAIFKAEDASGEAAAMLNNMRVYGTCVLTCMATVVFVGVKYVNKFALVFLGCVILSILAIYAGVIKSAFDPPNFPICLLGNRTLSRHGFDVCAKLAWEGNETVTTRLWGLFCSSRLLNATCDEYFTRNNVTEIQGIPGAASGLIKENLWSSYLTKGVIVERRGMPSVGLADGTPVDMDHPYVFSDMTSYFTLLVGIYFPSVTGIMAGSNRSGDLRDAQKSIPTGTILAIATTSAVYISSVVLFGACIEGVVLRDKFGEAVNGNLVVGTLAWPSPWVIVIGSFFSTCGAGLQSLTGAPRLLQAISRDGIVPFLQVFGHGKANGEPTWALLLTACICEIGILIASLDEVAPILSMFFLMCYMFVNLACAVQTLLRTPNWRPRFRYYHWTLSFLGMSLCLALMFICSWYYALVAMLIAGLIYKYIEYRGAEKEWGDGIRGLSLSAARYALLRLEEGPPHTKNWRPQLLVLVRVDQDQNVVHPQLLSLTSQLKAGKGLTIVGSVLEGTFLDNHPQAQRAEESIRRLMEAEKVKGFCQVVISSNLRDGVSHLIQSGGLGGLQHNTVLVGWPRNWRQKEDHQTWRNFIELVRETTAGHLALLVTKNVSMFPGNPERFSEGSIDVWWIVHDGGMLMLLPFLLRHHKVWRKCKMRIFTVAQMDDNSIQMKKDLTTFLYHLRITAEVEVVEMHESDISAYTYEKTLVMEQRSQILKQMHLTKNEREREIQSITDESRGSIRRKNPANPRLRLNVPEETACDNEEKPEEEVQLIHDQSAPSCPSSSPSPGEEPEGERETDPEVHLTWTKDKSVAEKNKGPSPVSSEGIKDFFSMKPNQSNVRRMHTAVRLNEVIVNKSRDAKLVLLNMPGPPRNRNGDENYMEFLEVLTEQLDRVMLVRGGGREVITIYS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	32.1	Very low	238 Å²	238	162.8 Å²	162.8	100%	1.172	85%	0.848	S	S	*	*				0	132.6	0	-168.5	178.2	-167.5	0	0	107.4
2	S	28.4	Very low	33.3	Very low	109 Å²	109	159.2 Å²	159.2	76%	0.762	84%	0.841	S	S	*	*			trans	57.3	122.1	-179.9	-61.3	0	0	0	0	116.7
3	R	33.7	Very low	33.5	Very low	236 Å²	236	154.6 Å²	154.6	89%	0.891	84%	0.84	S	S	*	*				86.6	109.2	55	-81.3	-169.8	171.9	-169.9	0.2	114.6
4	R	35.9	Very low	33.6	Very low	223 Å²	223	150.4 Å²	150.4	84%	0.842	84%	0.837	S	S	*	*			trans	30.8	139.3	143.1	-63.5	-177.5	179.1	174.8	-1.7	120.3
5	F	27.6	Very low	33.5	Very low	213 Å²	213	148.3 Å²	148.3	93%	0.934	84%	0.836	S	S	*	*				-139.6	158.2	121.7	-104.9	-77.6	0	0	0	111.8
6	T	31.4	Very low	33.4	Very low	114 Å²	114	145.1 Å²	145.1	70%	0.699	83%	0.834	S	S	*	*			trans	-150.5	145.4	-176.2	45.4	0	0	0	0	108.8
7	V	27.8	Very low	33.5	Very low	143 Å²	143	142.1 Å²	142.1	87%	0.867	83%	0.831	S	S	*	*			trans	-159.6	153.5	151.4	150	0	0	0	0	109.6
8	T	27.6	Very low	33.5	Very low	127 Å²	127	140.8 Å²	140.8	78%	0.779	83%	0.831	S	S	*	*			trans	-129.6	159.2	-176.7	47.9	0	0	0	0	112.2
9	S	25.4	Very low	33.3	Very low	117 Å²	117	138.1 Å²	138.1	82%	0.818	83%	0.826	S	S	*	*			trans	-167.5	161.3	150.5	33.2	0	0	0	0	112.4
10	L	26	Very low	33.4	Very low	160 Å²	160	139 Å²	139	84%	0.838	83%	0.826	S	S	*	*			trans	-124.7	-143	-175.6	-69.7	96.9	0	0	0	111.3
11	P	59	Low	34.5	Very low	111 Å²	111	137.6 Å²	137.6	72%	0.721	82%	0.821	S	S	*	*				-115.6	-163.6	-96.7	38.9	-21.4	0	0	0	112.6
12	P	47.3	Very low	34.6	Very low	119 Å²	119	132.4 Å²	132.4	77%	0.773	79%	0.794	S	S	*	*				-142.8	148.4	82.6	28	-5.6	0	0	0	114.9
13	A	34.9	Very low	34.7	Very low	100 Å²	100	131.2 Å²	131.2	83%	0.826	79%	0.785	S	S	*	*				68.5	144.6	86.5	0	0	0	0	0	115.5
14	A	34.7	Very low	34.7	Very low	96 Å²	96	127.6 Å²	127.6	79%	0.793	77%	0.772	S	S	*	*			cis	-152.1	178.4	-2	0	0	0	0	0	108.8
15	S	33	Very low	34.4	Very low	118 Å²	118	125.5 Å²	125.5	83%	0.825	76%	0.764	S	S	*	*			cis	-157.8	-163.1	17	50.5	0	0	0	0	108.5
16	A	30.9	Very low	34.5	Very low	97 Å²	97	123 Å²	123	80%	0.802	76%	0.755	S	S	*	*			cis	-158.3	-156.1	13.1	0	0	0	0	0	114
17	A	35.2	Very low	34.4	Very low	94 Å²	94	122.7 Å²	122.7	78%	0.777	76%	0.757	S	S	*	*			trans	-71	163	-179.6	0	0	0	0	0	116.8
18	S	33.9	Very low	34.4	Very low	119 Å²	119	122.4 Å²	122.4	83%	0.832	76%	0.756	S	S	*	*			cis	-162.3	-167	-2.5	45.6	0	0	0	0	108.6
19	A	30.6	Very low	34.4	Very low	90 Å²	90	121 Å²	121	74%	0.744	76%	0.757	S	S	*	*			cis	-155.4	-167.5	13	0	0	0	0	0	112.4
20	D	35.2	Very low	34.5	Very low	155 Å²	155	122.3 Å²	122.3	83%	0.829	76%	0.755	S	S	*	*			trans	-156.9	-164.3	-175.6	-141.1	16.3	0	0	0	108.9
21	P	55.6	Low	35.6	Very low	110 Å²	110	119.2 Å²	119.2	71%	0.714	74%	0.744	S	S	*	*			cis	-139.9	-158.9	25.7	48.7	-28.8	0	0	0	113.3
22	E	33.4	Very low	34.2	Very low	130 Å²	130	124.9 Å²	124.9	61%	0.607	75%	0.751	S	S	*	*			cis	-145.6	-156.5	-12.1	-140.4	-147.9	115.7	0	0	105.2	R24	E22-R24 WeakPolarHBondContact OE1-CG 2.99Å; E22-R24 IonicContact OE1-CZ 3.3Å; E22-R24 IonicContact OE1-NE 3.12Å; E22-R24 PolarHBondContact OE1-NE 3.48Å; E22-R24 IonicContact OE1-NH2 3.07Å; E22-R24 IonicContact OE2-CZ 2.93Å; E22-R24 IonicContact OE2-NE 2.76Å; E22-R24 PolarHBondContact OE2-NE 3.19Å; E22-R24 IonicContact OE2-NH2 2.69Å; E22-R24 PolarHBondContact OE2-NH2 2.87Å
23	S	30.6	Very low	33.1	Very low	83 Å²	83	131.4 Å²	131.4	58%	0.58	76%	0.76	S	S	*	*			cis	-164.3	138.6	9.5	112.9	0	0	0	0	112
24	R	33	Very low	32.7	Very low	160 Å²	160	134.4 Å²	134.4	60%	0.604	76%	0.762	S	S	*	*			trans	61.2	146.2	131	-54.5	-180	-170.8	-166.1	4.5	121.2	E22	E22-R24 WeakPolarHBondContact OE1-CG 2.99Å; E22-R24 IonicContact OE1-CZ 3.3Å; E22-R24 IonicContact OE1-NE 3.12Å; E22-R24 PolarHBondContact OE1-NE 3.48Å; E22-R24 IonicContact OE1-NH2 3.07Å; E22-R24 IonicContact OE2-CZ 2.93Å; E22-R24 IonicContact OE2-NE 2.76Å; E22-R24 PolarHBondContact OE2-NE 3.19Å; E22-R24 IonicContact OE2-NH2 2.69Å; E22-R24 PolarHBondContact OE2-NH2 2.87Å
25	R	29.9	Very low	33.3	Very low	180 Å²	180	135 Å²	135	68%	0.679	76%	0.758	S	S	*	*			cis	-167.2	152.5	-2.6	-116.5	170.3	-178.4	-168.4	-0.6	114.1
26	H	29.3	Very low	33.1	Very low	160 Å²	160	138.3 Å²	138.3	74%	0.741	75%	0.752	S	S	*	*			trans	67.5	170.1	146.8	-67.3	-45	0	0	0	122.8
27	S	28.7	Very low	33	Very low	108 Å²	108	140.1 Å²	140.1	76%	0.755	74%	0.744	S	S	*	*			trans	-160.2	179.5	-163.7	54.7	0	0	0	0	111.3
28	V	29	Very low	32.6	Very low	137 Å²	137	142.3 Å²	142.3	83%	0.83	74%	0.742	S	S	*	*			trans	118.1	128.9	159	177	0	0	0	0	118.3
29	A	27.6	Very low	32.4	Very low	97 Å²	97	141.7 Å²	141.7	80%	0.802	73%	0.733	S	S	*	*			trans	83.2	145	150.5	0	0	0	0	0	125.3
30	D	26.8	Very low	32.3	Very low	145 Å²	145	146.9 Å²	146.9	78%	0.775	74%	0.739	S	S	*	*			trans	-88.3	-172.4	166.2	-150.7	18	0	0	0	108.7
31	P	49.1	Very low	32	Very low	94 Å²	94	142.6 Å²	142.6	61%	0.61	73%	0.731	S	S	*	*			cis	-144.2	167.6	-1.9	43.5	-24	0	0	0	119.5
32	R	28.8	Very low	30.7	Very low	230 Å²	230	145.9 Å²	145.9	87%	0.868	74%	0.743	S	S	*	*			trans	54.2	133.3	144.7	-69.2	169.4	-169.2	-164	2.9	123.5
33	R	24.5	Very low	30.4	Very low	256 Å²	256	143.5 Å²	143.5	97%	0.966	75%	0.753	S	S	*	*				-157.6	162.5	122.8	-107.9	175.7	-164.4	-146.6	3.1	112.6
34	L	27.2	Very low	30.2	Very low	164 Å²	164	147 Å²	147	86%	0.859	77%	0.766	S	S	*	*			trans	-120.7	177.2	-174.7	-89.3	168.1	0	0	0	110
35	P	47.7	Very low	31.2	Very low	109 Å²	109	144.1 Å²	144.1	71%	0.708	77%	0.768	S	S	*	*			cis	-120	-145.8	8.9	30.4	-5.1	0	0	0	111.5
36	R	27.3	Very low	31.1	Very low	187 Å²	187	145.3 Å²	145.3	71%	0.706	78%	0.778	S	S	*	*			cis	-166.6	148.6	9	-156	178.1	149.7	92.3	11.8	111
37	E	28.8	Very low	31	Very low	135 Å²	135	145.9 Å²	145.9	63%	0.631	78%	0.78	S	S	*	*			trans	48.9	140.8	152.3	-88.7	146.1	-140.9	0	0	121.7
38	D	27.8	Very low	30.9	Very low	140 Å²	140	145.3 Å²	145.3	75%	0.749	78%	0.776	S	S	*	*			cis	-161.2	171.4	3.8	-154.6	-5.4	0	0	0	113.9
39	V	29.2	Very low	30.9	Very low	105 Å²	105	144 Å²	144	64%	0.636	77%	0.774	S	S	*	*			trans	76.1	105	161	-173.8	0	0	0	0	121
40	K	28.6	Very low	31.7	Very low	199 Å²	199	144.3 Å²	144.3	87%	0.865	77%	0.768	S	S	*	*			trans	43.9	135.8	140	-55	173.8	-174.4	175	0	120.1
41	G	28.3	Very low	31.8	Very low	65 Å²	65	146.7 Å²	146.7	67%	0.67	77%	0.771	S	S	*	*			cis	105	132.2	20.6	0	0	0	0	0	110.4
42	D	28.2	Very low	31	Very low	180 Å²	180	149.3 Å²	149.3	96%	0.963	78%	0.779	S	S	*	*			cis	-151.9	166	5.3	-91.3	-51.7	0	0	0	111
43	G	27.4	Very low	30.8	Very low	80 Å²	80	145.1 Å²	145.1	83%	0.825	77%	0.773	S	S	*	*			trans	156	107.2	165	0	0	0	0	0	116.1
44	N	27.8	Very low	30.9	Very low	157 Å²	157	137 Å²	137	84%	0.84	76%	0.756	S	S	*	*			trans	-132.7	-178.4	170.8	-150.5	3.9	0	0	0	109.8
45	P	52.9	Low	30.9	Very low	99 Å²	99	136 Å²	136	64%	0.643	76%	0.757	S	S	*	*				-98.4	-179	-124.9	38.7	-21.6	0	0	0	113.6
46	K	27.8	Very low	29.9	Very low	205 Å²	205	137.8 Å²	137.8	89%	0.891	76%	0.76	S	S	*	*			trans	-164.5	170.5	148.1	-114.2	152.6	-170.4	176.3	0	116
47	E	26.7	Very low	29.9	Very low	171 Å²	171	135 Å²	135	80%	0.799	77%	0.765	S	S	*	*			trans	-110.4	173.3	-166	-58.6	160	99.4	0	0	112.9
48	S	27.9	Very low	29.8	Very low	96 Å²	96	135.7 Å²	135.7	67%	0.671	77%	0.768	S	S	*	*			trans	58.4	96.8	139.4	67.6	0	0	0	0	121.6
49	S	28.9	Very low	29.8	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	77%	0.769	S	S	*	*				66.7	-170.8	127.6	67.4	0	0	0	0	118.1
50	P	44	Very low	29.6	Very low	103 Å²	103	136 Å²	136	67%	0.669	78%	0.775	S	S	*	*				-131.9	178	-86.4	41.2	-25.2	0	0	0	116.1
51	F	27.8	Very low	29.6	Very low	194 Å²	194	137.5 Å²	137.5	85%	0.851	78%	0.775	S	S	*	*			trans	79	143.8	155	-90.5	-65.4	0	0	0	122
52	I	33	Very low	29.5	Very low	150 Å²	150	142 Å²	142	77%	0.769	78%	0.779	S	S	*	*			trans	76.5	91.1	154.1	-63.6	168.6	0	0	0	119.7
53	N	24.4	Very low	29.5	Very low	141 Å²	141	144.6 Å²	144.6	75%	0.754	78%	0.777	S	S	*	*				62.2	122.7	109	-125.5	35.5	0	0	0	123.4
54	S	27.1	Very low	29.6	Very low	85 Å²	85	148.4 Å²	148.4	59%	0.594	78%	0.778	S	S	*	*				54.5	118.7	129.2	67.5	0	0	0	0	122.4
55	T	26.3	Very low	29.7	Very low	145 Å²	145	143.6 Å²	143.6	89%	0.89	77%	0.765	S	S	*	*			trans	-142.6	124.5	139.8	50.8	0	0	0	0	109.9
56	D	27	Very low	29	Very low	145 Å²	145	150.7 Å²	150.7	78%	0.775	78%	0.779	S	S	*	*			trans	-76.2	157	174.9	-58.6	-84.3	0	0	0	112.9
57	T	27.1	Very low	29.3	Very low	130 Å²	130	148.1 Å²	148.1	80%	0.798	78%	0.776	S	S	*	*				-176.4	134.1	110.2	22.9	0	0	0	0	113
58	E	27.6	Very low	29.6	Very low	148 Å²	148	147.2 Å²	147.2	69%	0.692	77%	0.773	S	S	*	*			trans	22.3	136.8	146.2	-56.4	-167.5	139.3	0	0	120.6
59	K	28.4	Very low	30	Very low	177 Å²	177	147.7 Å²	147.7	77%	0.77	78%	0.783	S	S	*	*			cis	-165.7	130.9	42.1	-131.3	140.3	-170.2	151.7	0	113.5
60	G	24.5	Very low	30.2	Very low	75 Å²	75	149.2 Å²	149.2	77%	0.773	78%	0.782	S	S	*	*			trans	47.3	110.6	145.3	0	0	0	0	0	122.3
61	R	27.6	Very low	29.6	Very low	231 Å²	231	152 Å²	152	87%	0.872	78%	0.784	S	S	*	*				-159.4	148	103.5	-104.1	-171.3	172.4	126.2	1.5	113.2
62	E	27.3	Very low	29.9	Very low	159 Å²	159	152.3 Å²	152.3	74%	0.743	79%	0.788	S	S	*	*			trans	7.3	137.3	166.3	-70.5	133.8	139.7	0	0	122.8
63	Y	28.4	Very low	30.3	Very low	234 Å²	234	153.7 Å²	153.7	92%	0.918	79%	0.791	S	S	*	*			trans	-47.7	152.2	153.3	-59.2	-103.5	0	0	0	110.3
64	D	28.1	Very low	31	Very low	161 Å²	161	156 Å²	156	86%	0.861	80%	0.797	S	S	*	*				-160.7	178.7	50.7	-167.5	1.9	0	0	0	110.6
65	G	30.5	Very low	31.4	Very low	55 Å²	55	160.2 Å²	160.2	57%	0.567	81%	0.81	S	S	*	*			trans	146.3	4.1	167.1	0	0	0	0	0	118	N67	G65-N67 PolarHBondContact O-N 3.11Å
66	R	39.2	Very low	31.8	Very low	248 Å²	248	159.7 Å²	159.7	94%	0.936	80%	0.802	S	S	*	*			trans	-81.9	58.8	173.3	-83.2	-168.2	176.4	172.4	1.3	112.3
67	N	34.5	Very low	32.3	Very low	152 Å²	152	159.3 Å²	159.3	81%	0.813	80%	0.804	S	S	*	*			trans	-159.2	45.1	170.7	-101	-24.6	0	0	0	113.2	G65	G65-N67 PolarHBondContact O-N 3.11Å
68	M	32.3	Very low	33	Very low	151 Å²	151	155.5 Å²	155.5	74%	0.744	78%	0.783	S	S	*	*			trans	-123.5	67	172	-73.1	-63.5	-76.4	0	0	111.8	F71	M68-F71 HydrophobicContact CE-CB 4.39Å
69	A	35.5	Very low	33.5	Very low	107 Å²	107	152.7 Å²	152.7	88%	0.884	78%	0.778	S	S	*	*	S	Bend	trans	-127.3	31.1	162.4	0	0	0	0	0	110.3
70	L	34	Very low	34.6	Very low	143 Å²	143	151.1 Å²	151.1	75%	0.749	78%	0.775	S	S	*	*	S	Bend	trans	-132.2	15.5	-174.1	-156.2	114.7	0	0	0	112.9
71	F	31.9	Very low	35.8	Very low	161 Å²	161	152.3 Å²	152.3	71%	0.706	77%	0.767	S	S	*	*			trans	-143.4	73.9	168.1	-81.7	-69.2	0	0	0	109.9	M68	M68-F71 HydrophobicContact CE-CB 4.39Å
72	E	33	Very low	36.7	Very low	200 Å²	200	143.6 Å²	143.6	94%	0.935	74%	0.741	S	S	*	*			trans	-115.5	17.7	155.4	-138.1	174	-153.6	0	0	110.6
73	E	41	Very low	38.1	Very low	179 Å²	179	138.3 Å²	138.3	84%	0.836	72%	0.722	S	S	*	*			trans	-95.5	77.1	159.6	-72.5	-169	142.7	0	0	109.2
74	E	39.6	Very low	39.3	Very low	190 Å²	190	132 Å²	132	89%	0.888	70%	0.703	S	S	*	*			trans	-176.2	77.4	149.8	-108.7	179	-164.3	0	0	111.9
75	M	35.2	Very low	40.7	Very low	173 Å²	173	129.3 Å²	129.3	85%	0.852	69%	0.689	S	S	*	*			trans	-144.2	17.7	153.4	-131.3	179.3	73.6	0	0	114	T77	M75-T77 PolarHBondContact O-N 2.84Å
76	D	35	Very low	42.1	Very low	135 Å²	135	129.8 Å²	129.8	72%	0.722	68%	0.683	S	S	*	*			trans	-82.3	57.1	172.5	-117.7	-27.5	0	0	0	111.2	S78	D76-S78 VanDerWaalsContact C-N 3.32Å; D76-S78 PolarHBondContact OD1-OG 3.09Å
77	T	38.5	Very low	43.2	Very low	136 Å²	136	119.5 Å²	119.5	83%	0.834	66%	0.655	S	S	*	*			trans	-98	21.3	166.2	49.2	0	0	0	0	112.1	M75	M75-T77 PolarHBondContact O-N 2.84Å
78	S	40.7	Very low	44.5	Very low	50 Å²	50	115.4 Å²	115.4	35%	0.35	63%	0.632	S	S	.	*	S	Bend	trans	-68.1	140.4	148.9	79.5	0	0	0	0	108.4	D76 M80	D76-S78 VanDerWaalsContact C-N 3.32Å; D76-S78 PolarHBondContact OD1-OG 3.09Å; S78-M80 PolarHBondContact O-N 2.83Å
79	P	38.1	Very low	45.8	Very low	90 Å²	90	112.1 Å²	112.1	58%	0.584	63%	0.629	S	S	*	*			trans	-62.4	133.6	179.5	24.1	-31.7	0	0	0	109	V81 S82	P79-V81 PolarHBondContact O-N 2.84Å; P79-S82 WeakPolarHBondContact CD-OG 3.27Å; P79-S82 WeakPolarHBondContact O-CA 3.41Å; P79-S82 WeakPolarHBondContact O-CB 3.23Å; P79-S82 PolarHBondContact O-N 2.96Å; P79-S82 PolarHBondContact O-OG 3.25Å
80	M	51.7	Low	47.3	Very low	144 Å²	144	111.8 Å²	111.8	71%	0.709	61%	0.612	S	S	*	*	H	α-helix	trans	-56.2	-23.3	-172.9	-156.3	-178.5	86.7	0	0	113.6	S78 S83 L84	S78-M80 PolarHBondContact O-N 2.83Å; M80-S83 PolarHBondContact O-OG 3.48Å; M80-S83 VanDerWaalsContact O-OG 3.12Å; M80-L84 HydrophobicContact CE-CD1 4.18Å; M80-L84 WeakPolarHBondContact O-CB 3.38Å; M80-L84 VanDerWaalsContact O-CG 3.26Å; M80-L84 WeakPolarHBondContact O-CG 3.31Å; M80-L84 PolarHBondContact O-N 2.77Å
81	V	49.9	Very low	49.3	Very low	99 Å²	99	105.4 Å²	105.4	60%	0.6	58%	0.578	S	S	*	*	H	α-helix	trans	-66	-34.7	171.9	-175.7	0	0	0	0	112.2	P79 L85	P79-V81 PolarHBondContact O-N 2.84Å; V81-L85 HydrophobicContact CG1-CD1 3.83Å; V81-L85 HydrophobicContact CG1-CG 4.19Å; V81-L85 VanDerWaalsContact O-CB 3.25Å; V81-L85 WeakPolarHBondContact O-CB 3.17Å; V81-L85 WeakPolarHBondContact O-CG 3.27Å; V81-L85 PolarHBondContact O-N 3.36Å
82	S	45.8	Very low	51.4	Low	48 Å²	48	99.4 Å²	99.4	34%	0.336	56%	0.555	S	S	.	*	H	α-helix	trans	-76.4	-34.7	-179.4	70.1	0	0	0	0	113.9	P79 S86	P79-S82 WeakPolarHBondContact CD-OG 3.27Å; P79-S82 WeakPolarHBondContact O-CA 3.41Å; P79-S82 WeakPolarHBondContact O-CB 3.23Å; P79-S82 PolarHBondContact O-N 2.96Å; P79-S82 PolarHBondContact O-OG 3.25Å; S82-S86 WeakPolarHBondContact O-CB 3.37Å; S82-S86 PolarHBondContact O-N 2.93Å; S82-S86 PolarHBondContact O-OG 3.07Å
83	S	57	Low	53.4	Low	48 Å²	48	90.2 Å²	90.2	34%	0.336	51%	0.512	S	S	.	.	H	α-helix	trans	-70.3	-38.6	171	55.6	0	0	0	0	111.1	M80 S86 G87	M80-S83 PolarHBondContact O-OG 3.48Å; M80-S83 VanDerWaalsContact O-OG 3.12Å; S83-S86 WeakPolarHBondContact CA-OG 3.37Å; S83-S86 PolarHBondContact O-OG 3.24Å; S83-G87 PolarHBondContact O-N 3.11Å
84	L	53.5	Low	55.2	Low	101 Å²	101	82.1 Å²	82.1	53%	0.529	47%	0.474	S	S	.	.	H	α-helix	trans	-64.8	-45.8	170.8	-72.1	172	0	0	0	112.6	M80 S86 G87 L88	M80-L84 HydrophobicContact CE-CD1 4.18Å; M80-L84 WeakPolarHBondContact O-CB 3.38Å; M80-L84 VanDerWaalsContact O-CG 3.26Å; M80-L84 WeakPolarHBondContact O-CG 3.31Å; M80-L84 PolarHBondContact O-N 2.77Å; L84-S86 PolarHBondContact O-N 2.86Å; L84-G87 PolarHBondContact O-N 2.9Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 WeakPolarHBondContact O-CD1 3.38Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.28Å; L84-L88 PolarHBondContact O-N 2.68Å
85	L	58.7	Low	56.9	Low	106 Å²	106	73.7 Å²	73.7	56%	0.555	44%	0.436	S	S	*	.	H	α-helix	trans	-65.1	-37.6	178.5	-77.4	172.8	0	0	0	112.7	V81 L88 A89	V81-L85 HydrophobicContact CG1-CD1 3.83Å; V81-L85 HydrophobicContact CG1-CG 4.19Å; V81-L85 VanDerWaalsContact O-CB 3.25Å; V81-L85 WeakPolarHBondContact O-CB 3.17Å; V81-L85 WeakPolarHBondContact O-CG 3.27Å; V81-L85 PolarHBondContact O-N 3.36Å; L85-L88 HydrophobicContact CD2-CD1 4.39Å; L85-L88 PolarHBondContact O-N 3.28Å; L85-A89 WeakPolarHBondContact O-CB 3.23Å; L85-A89 PolarHBondContact O-N 2.79Å
86	S	59.3	Low	58.9	Low	65 Å²	65	66.1 Å²	66.1	46%	0.455	40%	0.399	S	S	.	.	H	α-helix	trans	-72.8	-30.7	174.1	54.4	0	0	0	0	112.7	S82 S83 L84 N90	S82-S86 WeakPolarHBondContact O-CB 3.37Å; S82-S86 PolarHBondContact O-N 2.93Å; S82-S86 PolarHBondContact O-OG 3.07Å; S83-S86 WeakPolarHBondContact CA-OG 3.37Å; S83-S86 PolarHBondContact O-OG 3.24Å; L84-S86 PolarHBondContact O-N 2.86Å; S86-N90 PolarHBondContact O-N 2.87Å; S86-N90 PolarHBondContact O-ND2 3.43Å
87	G	61	Low	60.7	Low	32 Å²	32	60 Å²	60	33%	0.33	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-40.5	167	0	0	0	0	0	113.3	S83 L84 N90	S83-G87 PolarHBondContact O-N 3.11Å; L84-G87 PolarHBondContact O-N 2.9Å; G87-N90 PolarHBondContact O-N 2.65Å
88	L	62.7	Low	62.6	Low	66 Å²	66	53.5 Å²	53.5	35%	0.346	33%	0.328	S	S	.	.	H	α-helix	trans	-67.2	-40	175.5	-73.9	160.3	0	0	0	112	L84 L85 N90 Y91 M124 L280	L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 WeakPolarHBondContact O-CD1 3.38Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.28Å; L84-L88 PolarHBondContact O-N 2.68Å; L85-L88 HydrophobicContact CD2-CD1 4.39Å; L85-L88 PolarHBondContact O-N 3.28Å; L88-N90 PolarHBondContact O-N 2.82Å; L88-Y91 VanDerWaalsContact O-CB 3.31Å; L88-Y91 WeakPolarHBondContact O-CB 3.18Å; L88-Y91 PolarHBondContact O-N 3.03Å; L88-Y91 VanDerWaalsContact O-N 3.14Å; L88-M124 HydrophobicContact CD2-CE 3.74Å; L88-M124 HydrophobicContact CD2-SD 4.23Å; L88-M124 HydrophobicContact CG-CE 4.17Å; L88-L280 HydrophobicContact CB-CD1 3.82Å; L88-L280 HydrophobicContact CD2-CD1 3.69Å; L88-L280 HydrophobicContact CG-CD1 4.36Å; L88-L280 WeakPolarHBondContact O-CD1 3.33Å
89	A	59.9	Low	64.5	Low	81 Å²	81	55.8 Å²	55.8	67%	0.669	33%	0.329	S	S	*	.	H	α-helix	trans	-63.5	-21.7	176.9	0	0	0	0	0	113.8	L85	L85-A89 WeakPolarHBondContact O-CB 3.23Å; L85-A89 PolarHBondContact O-N 2.79Å
90	N	66.1	Low	66.5	Low	100 Å²	100	54.9 Å²	54.9	54%	0.535	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	15.6	177.6	-68.9	-48.3	0	0	0	113.4	S86 G87 L88	S86-N90 PolarHBondContact O-N 2.87Å; S86-N90 PolarHBondContact O-ND2 3.43Å; G87-N90 PolarHBondContact O-N 2.65Å; L88-N90 PolarHBondContact O-N 2.82Å
91	Y	76.2	Confident	67.9	Low	9 Å²	9	48.6 Å²	48.6	4%	0.035	29%	0.286	C	S	.	.			trans	-73.6	131.8	177.3	179.6	-100.8	0	0	0	112.6	L88 N93 M124 L128 P129 Q132 A279 L280 L283	L88-Y91 VanDerWaalsContact O-CB 3.31Å; L88-Y91 WeakPolarHBondContact O-CB 3.18Å; L88-Y91 PolarHBondContact O-N 3.03Å; L88-Y91 VanDerWaalsContact O-N 3.14Å; Y91-N93 HydrophobicContact CE1-CB 3.97Å; Y91-M124 HydrophobicContact CD2-CE 3.92Å; Y91-M124 HydrophobicContact CG-CE 4.37Å; Y91-L128 HydrophobicContact CE2-CB 4.03Å; Y91-P129 HydrophobicContact CE2-CG 4Å; Y91-Q132 PolarHBondContact OH-OE1 3.42Å; Y91-A279 HydrophobicContact CD1-CB 3.85Å; Y91-A279 HydrophobicContact CE1-CB 3.91Å; Y91-L280 HydrophobicContact CD1-CB 4.12Å; Y91-L283 HydrophobicContact CE1-CD2 4.32Å
92	T	76.8	Confident	69.3	Low	35 Å²	35	47.5 Å²	47.5	22%	0.215	27%	0.274	C	S	.	.			trans	-141.2	78.2	-168.6	47	0	0	0	0	111.9	L94 N276 R443	T92-L94 PolarHBondContact O-N 2.79Å; T92-N276 HydrophobicContact CG2-CB 4.19Å; T92-R443 PolarHBondContact O-NE 3.12Å; T92-R443 PolarHBondContact O-NH2 3.39Å; T92-R443 PolarHBondContact OG1-NE 3.07Å
93	N	74.4	Confident	70.9	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.043	28%	0.277	C	S	.	.			trans	-59.5	-11.9	-172.3	67.9	-30.3	0	0	0	116	Y91 Q132 A279 Q524	Y91-N93 HydrophobicContact CE1-CB 3.97Å; N93-Q132 VanDerWaalsContact CB-OE1 3.31Å; N93-Q132 PolarHBondContact ND2-NE2 3.06Å; N93-A279 HydrophobicContact CB-CB 4.15Å; N93-A279 WeakPolarHBondContact OD1-CB 3.39Å; N93-Q524 PolarHBondContact ND2-NE2 3.45Å; N93-Q524 PolarHBondContact ND2-OE1 3.46Å; N93-Q524 PolarHBondContact O-NE2 2.91Å
94	L	78.3	Confident	71.8	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.042	28%	0.275	C	S	.	.	S	Bend	trans	-71.2	155.7	-179.9	-86	67.1	0	0	0	113.9	T92 V272 V275 T527	T92-L94 PolarHBondContact O-N 2.79Å; L94-V272 HydrophobicContact CD2-CG1 3.11Å; L94-V275 HydrophobicContact CD1-CG1 4.06Å; L94-T527 HydrophobicContact CD2-CG2 3.82Å; L94-T527 VanDerWaalsContact CD2-OG1 3.31Å; L94-T527 WeakPolarHBondContact CD2-OG1 3.28Å; L94-T527 WeakPolarHBondContact CG-OG1 3.26Å
95	P	75.8	Confident	72.8	Confident	13 Å²	13	49 Å²	49	8%	0.084	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-79.9	147.8	-179.4	32.1	-34.8	0	0	0	113.4	N442 R531	P95-N442 HydrophobicContact CB-CB 3.78Å; P95-R531 WeakPolarHBondContact O-CD 3.46Å; P95-R531 PolarHBondContact O-NH1 2.94Å
96	Q	78.1	Confident	73.4	Confident	15 Å²	15	49.9 Å²	49.9	7%	0.07	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-62.7	162.2	166.2	-70.6	-178.4	-15.4	0	0	111.6	E100 G185 N442 D446	Q96-E100 WeakPolarHBondContact CA-OE2 3.39Å; Q96-E100 WeakPolarHBondContact CB-OE2 3.05Å; Q96-G185 VanDerWaalsContact OE1-N 3.1Å; Q96-N442 WeakPolarHBondContact CB-O 3.4Å; Q96-N442 PolarHBondContact N-O 2.78Å; Q96-D446 PolarHBondContact NE2-OD1 3.19Å; Q96-D446 PolarHBondContact NE2-OD2 3.37Å
97	G	72.9	Confident	73.6	Confident	6 Å²	6	52.2 Å²	52.2	6%	0.062	29%	0.286	C	S	.	.			trans	-144.8	-177.6	-179.9	0	0	0	0	0	113.9	R99 E100 H101	G97-R99 PolarHBondContact O-N 2.82Å; G97-R99 VanDerWaalsContact O-N 3.1Å; G97-E100 PolarHBondContact N-OE2 2.76Å; G97-E100 PolarHBondContact O-N 3.33Å; G97-H101 PolarHBondContact O-N 2.95Å
98	S	77.9	Confident	73.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-51.2	-34.8	-174.4	52.9	0	0	0	0	115.5	E100 H101 E102 R538	S98-E100 PolarHBondContact O-N 2.75Å; S98-H101 WeakPolarHBondContact O-CB 3.34Å; S98-H101 PolarHBondContact O-N 3.2Å; S98-E102 WeakPolarHBondContact O-CG 3.39Å; S98-E102 PolarHBondContact O-N 3.35Å; S98-R538 WeakPolarHBondContact OG-CD 3.42Å; S98-R538 PolarHBondContact OG-NH1 3.13Å
99	R	80.9	Confident	72.5	Confident	98 Å²	98	59 Å²	59	37%	0.37	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-42.1	175	178.1	-178.9	174.3	129.4	15.5	112.7	G97 H101 E102 E103 A553 N554	G97-R99 PolarHBondContact O-N 2.82Å; G97-R99 VanDerWaalsContact O-N 3.1Å; R99-H101 VanDerWaalsContact C-N 3.32Å; R99-E102 PolarHBondContact O-N 3.4Å; R99-E103 HydrophobicContact CG-CG 4.45Å; R99-E103 IonicContact CZ-OE1 2.7Å; R99-E103 IonicContact NE-OE1 2.88Å; R99-E103 PolarHBondContact NE-OE1 2.61Å; R99-E103 IonicContact NH2-OE1 3.8Å; R99-E103 PolarHBondContact NH2-OE1 2.78Å; R99-E103 WeakPolarHBondContact O-CB 3.29Å; R99-E103 WeakPolarHBondContact O-CG 3.29Å; R99-E103 PolarHBondContact O-N 3.38Å; R99-A553 PolarHBondContact NH1-O 3.14Å; R99-N554 WeakPolarHBondContact CD-O 3.4Å; R99-N554 VanDerWaalsContact NH1-C 3.32Å; R99-N554 PolarHBondContact NH1-O 3.04Å
100	E	79.4	Confident	71.8	Confident	71 Å²	71	58.3 Å²	58.3	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-76	-25.8	-178.2	-67.3	138.2	157.9	0	0	111.1	Q96 G97 S98 A104	Q96-E100 WeakPolarHBondContact CA-OE2 3.39Å; Q96-E100 WeakPolarHBondContact CB-OE2 3.05Å; G97-E100 PolarHBondContact N-OE2 2.76Å; G97-E100 PolarHBondContact O-N 3.33Å; S98-E100 PolarHBondContact O-N 2.75Å; E100-A104 WeakPolarHBondContact O-CB 3.47Å; E100-A104 PolarHBondContact O-N 2.96Å; E100-A104 VanDerWaalsContact O-N 3.08Å
101	H	80.6	Confident	70.5	Confident	12 Å²	12	62.6 Å²	62.6	6%	0.056	34%	0.339	C	S	.	.	H	α-helix	trans	-65.1	-50.9	166.8	-169.7	52.8	0	0	0	110.9	G97 S98 R99 E103 A104 E105 A184 Y189 R193	G97-H101 PolarHBondContact O-N 2.95Å; S98-H101 WeakPolarHBondContact O-CB 3.34Å; S98-H101 PolarHBondContact O-N 3.2Å; R99-H101 VanDerWaalsContact C-N 3.32Å; H101-E103 PolarHBondContact O-N 2.82Å; H101-A104 WeakPolarHBondContact O-CB 3.41Å; H101-A104 PolarHBondContact O-N 2.85Å; H101-A104 VanDerWaalsContact O-N 3.14Å; H101-E105 IonicContact CE1-OE1 2.72Å; H101-E105 IonicContact NE2-OE1 3.44Å; H101-E105 PolarHBondContact O-N 3.06Å; H101-A184 PolarHBondContact ND1-O 3.04Å; H101-Y189 HydrophobicContact CB-CD2 4.21Å; H101-Y189 HydrophobicContact CB-CE2 3.97Å; H101-Y189 AromaticContact CD2-CD1 3.59Å; H101-Y189 AromaticContact CD2-CE1 3.32Å; H101-Y189 WeakPolarHBondContact CD2-CE1 3.43Å; H101-Y189 AromaticContact CD2-CZ 3.59Å; H101-Y189 AromaticContact CE1-CD1 3.96Å; H101-Y189 AromaticContact NE2-CD1 3.46Å; H101-Y189 WeakPolarHBondContact NE2-CD1 3.24Å; H101-Y189 AromaticContact NE2-CE1 3.57Å; H101-R193 PolarHBondContact NE2-NH2 2.99Å
102	E	80	Confident	69.4	Low	76 Å²	76	72.1 Å²	72.1	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-61.5	-41.4	177.2	-73.7	159.6	-164.7	0	0	112.4	S98 R99 A104 N106 R538	S98-E102 WeakPolarHBondContact O-CG 3.39Å; S98-E102 PolarHBondContact O-N 3.35Å; R99-E102 PolarHBondContact O-N 3.4Å; E102-A104 VanDerWaalsContact C-N 3.32Å; E102-A104 PolarHBondContact O-N 2.65Å; E102-N106 WeakPolarHBondContact O-CB 3.38Å; E102-N106 PolarHBondContact O-N 3.14Å; E102-N106 PolarHBondContact O-ND2 3.24Å; E102-R538 WeakPolarHBondContact OE1-CD 3.45Å; E102-R538 IonicContact OE1-CZ 3.04Å; E102-R538 IonicContact OE1-NE 3.4Å; E102-R538 IonicContact OE1-NH1 2.81Å; E102-R538 PolarHBondContact OE1-NH1 3.45Å; E102-R538 IonicContact OE2-CZ 3.96Å; E102-R538 IonicContact OE2-NH1 3.74Å; E102-R538 PolarHBondContact OE2-NH1 2.96Å
103	E	79.8	Confident	67.6	Low	84 Å²	84	79.9 Å²	79.9	39%	0.393	41%	0.411	S	S	.	.	H	α-helix	trans	-67.1	-31.2	175.2	-76	179.4	-176.5	0	0	112.1	R99 H101 N107	R99-E103 HydrophobicContact CG-CG 4.45Å; R99-E103 IonicContact CZ-OE1 2.7Å; R99-E103 IonicContact NE-OE1 2.88Å; R99-E103 PolarHBondContact NE-OE1 2.61Å; R99-E103 IonicContact NH2-OE1 3.8Å; R99-E103 PolarHBondContact NH2-OE1 2.78Å; R99-E103 WeakPolarHBondContact O-CB 3.29Å; R99-E103 WeakPolarHBondContact O-CG 3.29Å; R99-E103 PolarHBondContact O-N 3.38Å; H101-E103 PolarHBondContact O-N 2.82Å; E103-N107 WeakPolarHBondContact O-CB 3.3Å; E103-N107 PolarHBondContact O-N 3.13Å; E103-N107 PolarHBondContact O-ND2 3.1Å
104	A	74.6	Confident	66	Low	36 Å²	36	85.1 Å²	85.1	30%	0.298	45%	0.445	S	S	.	.	H	α-helix	trans	-70.2	-49.9	173.7	0	0	0	0	0	112.2	E100 H101 E102 N106 N107 E108 A184	E100-A104 WeakPolarHBondContact O-CB 3.47Å; E100-A104 PolarHBondContact O-N 2.96Å; E100-A104 VanDerWaalsContact O-N 3.08Å; H101-A104 WeakPolarHBondContact O-CB 3.41Å; H101-A104 PolarHBondContact O-N 2.85Å; H101-A104 VanDerWaalsContact O-N 3.14Å; E102-A104 VanDerWaalsContact C-N 3.32Å; E102-A104 PolarHBondContact O-N 2.65Å; A104-N106 VanDerWaalsContact C-N 3.31Å; A104-N106 PolarHBondContact O-N 2.98Å; A104-N107 PolarHBondContact O-N 2.69Å; A104-E108 PolarHBondContact O-N 2.83Å; A104-A184 HydrophobicContact CB-CB 3.62Å
105	E	74.6	Confident	64	Low	108 Å²	108	91.4 Å²	91.4	51%	0.505	48%	0.484	S	S	.	.	H	α-helix	trans	-59.1	-40.8	177.5	-69.1	-173.4	157.1	0	0	111.6	H101 N107 E108	H101-E105 IonicContact CE1-OE1 2.72Å; H101-E105 IonicContact NE2-OE1 3.44Å; H101-E105 PolarHBondContact O-N 3.06Å; E105-N107 VanDerWaalsContact C-N 3.31Å; E105-N107 PolarHBondContact O-N 3.02Å; E105-E108 PolarHBondContact O-N 3.1Å
106	N	72.7	Confident	62.6	Low	125 Å²	125	97 Å²	97	67%	0.668	51%	0.509	S	S	*	.	H	α-helix	trans	-68.7	-25.3	176	-79.8	-79	0	0	0	113.8	E102 A104 G109	E102-N106 WeakPolarHBondContact O-CB 3.38Å; E102-N106 PolarHBondContact O-N 3.14Å; E102-N106 PolarHBondContact O-ND2 3.24Å; A104-N106 VanDerWaalsContact C-N 3.31Å; A104-N106 PolarHBondContact O-N 2.98Å; N106-G109 WeakPolarHBondContact O-CA 3.24Å; N106-G109 PolarHBondContact O-N 3.29Å; N106-G109 VanDerWaalsContact O-N 3.11Å
107	N	62.4	Low	61.2	Low	114 Å²	114	100 Å²	100	61%	0.61	54%	0.537	S	S	*	.	H	α-helix	trans	-77	-24.2	178.5	-90.2	-60.8	0	0	0	113.3	E103 A104 E105 G109	E103-N107 WeakPolarHBondContact O-CB 3.3Å; E103-N107 PolarHBondContact O-N 3.13Å; E103-N107 PolarHBondContact O-ND2 3.1Å; A104-N107 PolarHBondContact O-N 2.69Å; E105-N107 VanDerWaalsContact C-N 3.31Å; E105-N107 PolarHBondContact O-N 3.02Å; N107-G109 PolarHBondContact O-N 2.96Å
108	E	56.5	Low	60.3	Low	180 Å²	180	105.1 Å²	105.1	84%	0.841	57%	0.569	S	S	*	*	H	α-helix	trans	-66.8	-24.1	165.5	-59.2	-165.8	151.7	0	0	110.9	A104 E105 G110	A104-E108 PolarHBondContact O-N 2.83Å; E105-E108 PolarHBondContact O-N 3.1Å; E108-G110 PolarHBondContact O-N 3.45Å
109	G	44.4	Very low	59.9	Low	59 Å²	59	112 Å²	112	61%	0.608	59%	0.594	S	S	*	*	S	Bend	trans	-69	30	175	0	0	0	0	0	117.6	N106 N107 K111	N106-G109 WeakPolarHBondContact O-CA 3.24Å; N106-G109 PolarHBondContact O-N 3.29Å; N106-G109 VanDerWaalsContact O-N 3.11Å; N107-G109 PolarHBondContact O-N 2.96Å; G109-K111 PolarHBondContact O-N 3.47Å
110	G	45.3	Very low	59.8	Low	68 Å²	68	109 Å²	109	70%	0.701	59%	0.585	S	S	*	*	S	Bend	trans	68.8	36.5	151.4	0	0	0	0	0	119.1	E108	E108-G110 PolarHBondContact O-N 3.45Å
111	K	38.5	Very low	60.1	Low	190 Å²	190	107.6 Å²	107.6	83%	0.826	59%	0.59	S	S	*	*			trans	-131.4	131.6	166.3	-74.8	-176.9	179.4	170.8	0	112.9	G109	G109-K111 PolarHBondContact O-N 3.47Å
112	K	54.2	Low	60.6	Low	209 Å²	209	109.1 Å²	109.1	91%	0.909	60%	0.6	S	S	*	*			trans	-87.9	128.1	-177.8	-68	-176.2	176.8	-177.2	0	113.1
113	K	39.3	Very low	61.1	Low	197 Å²	197	111.3 Å²	111.3	86%	0.857	61%	0.608	S	S	*	*			trans	154.4	156.6	138.3	-91.2	175.1	-179.2	-176	0	110.9
114	P	40.3	Very low	61.3	Low	118 Å²	118	109.2 Å²	109.2	77%	0.766	60%	0.599	S	S	*	*			cis	-113.7	-156.4	-22.1	39.5	-25.2	0	0	0	110.6	Q116	P114-Q116 PolarHBondContact O-N 3.42Å
115	V	36.8	Very low	61.8	Low	141 Å²	141	107.5 Å²	107.5	86%	0.855	59%	0.585	S	S	*	*			trans	-35.8	117.2	179.5	-177.8	0	0	0	0	113.7
116	Q	46.4	Very low	62.6	Low	129 Å²	129	102.3 Å²	102.3	60%	0.603	56%	0.561	S	S	*	*			trans	-65.8	143.3	167.3	-77.9	-168.2	-27.8	0	0	110.1	P114 R119	P114-Q116 PolarHBondContact O-N 3.42Å; Q116-R119 VanDerWaalsContact OE1-NE 3.07Å
117	A	48.7	Very low	63.5	Low	80 Å²	80	98 Å²	98	66%	0.661	54%	0.535	S	S	*	.			trans	-57.8	149.7	166.9	0	0	0	0	0	110.5	R119	A117-R119 PolarHBondContact O-N 3.03Å
118	P	53.1	Low	64.9	Low	112 Å²	112	93.3 Å²	93.3	73%	0.727	51%	0.51	S	S	*	.			trans	-59.9	115.6	-179.1	23.9	-33.7	0	0	0	110.6	M120	P118-M120 PolarHBondContact O-N 2.88Å
119	R	68.8	Low	66.4	Low	144 Å²	144	84.8 Å²	84.8	54%	0.543	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-60.8	136.6	-176.5	-62.9	-170.5	-171.4	-174.5	3.1	111	Q116 A117 D446 R448	Q116-R119 VanDerWaalsContact OE1-NE 3.07Å; A117-R119 PolarHBondContact O-N 3.03Å; R119-D446 CarbonylContact C-O 3.5Å; R119-D446 WeakPolarHBondContact CA-O 3.31Å; R119-R448 HydrophobicContact CB-CB 4.1Å
120	M	79.6	Confident	68.6	Low	36 Å²	36	82 Å²	82	18%	0.177	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-72.7	139	-172.6	-60.1	-169	-176.5	0	0	111.9	P118 R443 D446 L447 R448	P118-M120 PolarHBondContact O-N 2.88Å; M120-R443 PolarHBondContact SD-NH1 2.9Å; M120-D446 HydrophobicContact CG-CB 4.42Å; M120-D446 PolarHBondContact N-O 3.1Å; M120-D446 HydrophobicContact SD-CB 4.49Å; M120-L447 HydrophobicContact CB-CD2 4.34Å; M120-L447 WeakPolarHBondContact O-CA 3.44Å; M120-R448 PolarHBondContact O-N 3.26Å
121	G	86.4	Confident	70.8	Confident	41 Å²	41	79.2 Å²	79.2	42%	0.423	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-87.1	166.3	168.9	0	0	0	0	0	112.6	F123 M124 G125	G121-F123 VanDerWaalsContact C-N 3.26Å; G121-F123 PolarHBondContact O-N 3.25Å; G121-M124 PolarHBondContact O-N 2.89Å; G121-G125 WeakPolarHBondContact O-CA 3.33Å; G121-G125 PolarHBondContact O-N 2.92Å
122	T	90.2	Very high	73.2	Confident	44 Å²	44	70.8 Å²	70.8	27%	0.27	37%	0.374	S	S	.	.	H	α-helix	trans	-46.6	-41.3	-174.3	-50.5	0	0	0	0	114.9	V126 Y127 S453 T456	T122-V126 WeakPolarHBondContact O-CB 3.48Å; T122-V126 PolarHBondContact O-N 3.44Å; T122-Y127 PolarHBondContact O-N 2.98Å; T122-S453 WeakPolarHBondContact OG1-CB 3.47Å; T122-S453 PolarHBondContact OG1-OG 3.28Å; T122-T456 HydrophobicContact CG2-CG2 4.37Å
123	F	89.8	Confident	74.8	Confident	122 Å²	122	62.5 Å²	62.5	54%	0.535	34%	0.34	S	S	.	.	I	π-helix	trans	-66.4	-58.1	-175.8	-174.1	-104.6	0	0	0	112.6	G121 Y127 L128	G121-F123 VanDerWaalsContact C-N 3.26Å; G121-F123 PolarHBondContact O-N 3.25Å; F123-Y127 AromaticContact CD2-CD1 3.55Å; F123-Y127 HydrophobicContact CD2-CD1 3.55Å; F123-Y127 HydrophobicContact CD2-CE1 4.09Å; F123-Y127 HydrophobicContact CD2-CG 4.34Å; F123-Y127 AromaticContact CE2-CD1 3.49Å; F123-Y127 HydrophobicContact CE2-CD1 3.49Å; F123-Y127 VanDerWaalsContact CE2-CD1 3.49Å; F123-Y127 AromaticContact CE2-CE1 3.57Å; F123-Y127 HydrophobicContact CE2-CE1 3.57Å; F123-Y127 HydrophobicContact CG-CD1 4.5Å; F123-Y127 HydrophobicContact CZ-CD1 4.4Å; F123-Y127 HydrophobicContact CZ-CE1 4.4Å; F123-Y127 PolarHBondContact O-N 3.48Å; F123-L128 HydrophobicContact CD1-CD1 4.11Å; F123-L128 HydrophobicContact CD1-CG 4.32Å; F123-L128 HydrophobicContact CE1-CD1 3.7Å; F123-L128 HydrophobicContact CE1-CD2 4.3Å; F123-L128 HydrophobicContact CE1-CG 4Å; F123-L128 HydrophobicContact CE2-CD2 4.38Å; F123-L128 HydrophobicContact CZ-CD1 4.22Å; F123-L128 HydrophobicContact CZ-CD2 3.96Å; F123-L128 HydrophobicContact CZ-CG 4.11Å; F123-L128 PolarHBondContact O-N 2.95Å
124	M	85.3	Confident	77.3	Confident	40 Å²	40	53.2 Å²	53.2	20%	0.197	30%	0.3	C	S	.	.	I	π-helix	trans	-73.7	-30.8	179.8	-66.3	-63.9	-74.4	0	0	112.9	L88 Y91 G121 L128 R443	L88-M124 HydrophobicContact CD2-CE 3.74Å; L88-M124 HydrophobicContact CD2-SD 4.23Å; L88-M124 HydrophobicContact CG-CE 4.17Å; Y91-M124 HydrophobicContact CD2-CE 3.92Å; Y91-M124 HydrophobicContact CG-CE 4.37Å; G121-M124 PolarHBondContact O-N 2.89Å; M124-L128 HydrophobicContact SD-CD1 3.68Å; M124-R443 PolarHBondContact O-NH1 3.01Å
125	G	83.8	Confident	79.7	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	I	π-helix	trans	-83.5	-36.7	-173.5	0	0	0	0	0	115.2	G121	G121-G125 WeakPolarHBondContact O-CA 3.33Å; G121-G125 PolarHBondContact O-N 2.92Å
126	V	91.2	Very high	81.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-127.6	-51.9	-170.2	-179.8	0	0	0	0	112.1	T122 C130 G440 L447 I454	T122-V126 WeakPolarHBondContact O-CB 3.48Å; T122-V126 PolarHBondContact O-N 3.44Å; V126-C130 WeakPolarHBondContact O-CB 3.49Å; V126-C130 PolarHBondContact O-N 2.94Å; V126-G440 WeakPolarHBondContact CG1-O 3.35Å; V126-L447 HydrophobicContact CG2-CD1 3.76Å; V126-L447 HydrophobicContact CG2-CD2 3.78Å; V126-L447 HydrophobicContact CG2-CG 4.45Å; V126-I454 HydrophobicContact CG2-CG1 4.37Å
127	Y	93.4	Very high	83.9	Confident	33 Å²	33	35.4 Å²	35.4	13%	0.129	20%	0.198	C	C	.	.	I	π-helix	trans	-66.4	-55.7	-172.6	171	-99.2	0	0	0	112.6	T122 F123 C130 L131 L460 A461 T464	T122-Y127 PolarHBondContact O-N 2.98Å; F123-Y127 AromaticContact CD2-CD1 3.55Å; F123-Y127 HydrophobicContact CD2-CD1 3.55Å; F123-Y127 HydrophobicContact CD2-CE1 4.09Å; F123-Y127 HydrophobicContact CD2-CG 4.34Å; F123-Y127 AromaticContact CE2-CD1 3.49Å; F123-Y127 HydrophobicContact CE2-CD1 3.49Å; F123-Y127 VanDerWaalsContact CE2-CD1 3.49Å; F123-Y127 AromaticContact CE2-CE1 3.57Å; F123-Y127 HydrophobicContact CE2-CE1 3.57Å; F123-Y127 HydrophobicContact CG-CD1 4.5Å; F123-Y127 HydrophobicContact CZ-CD1 4.4Å; F123-Y127 HydrophobicContact CZ-CE1 4.4Å; F123-Y127 PolarHBondContact O-N 3.48Å; Y127-C130 PolarHBondContact O-N 2.79Å; Y127-L131 HydrophobicContact CE1-CD1 4.11Å; Y127-L131 HydrophobicContact CE2-CD1 4.33Å; Y127-L131 VanDerWaalsContact O-CB 3.32Å; Y127-L131 WeakPolarHBondContact O-CB 3.47Å; Y127-L131 PolarHBondContact O-N 3.15Å; Y127-L460 HydrophobicContact CD2-CB 4.11Å; Y127-L460 HydrophobicContact CD2-CD2 3.96Å; Y127-L460 HydrophobicContact CD2-CG 3.91Å; Y127-L460 HydrophobicContact CE2-CB 4.37Å; Y127-L460 HydrophobicContact CE2-CD2 4.06Å; Y127-L460 HydrophobicContact CE2-CG 3.79Å; Y127-A461 HydrophobicContact CD2-CB 3.87Å; Y127-A461 HydrophobicContact CE2-CB 4.24Å; Y127-T464 PolarHBondContact OH-OG1 3.33Å
128	L	90.3	Very high	86	Confident	16 Å²	16	31.7 Å²	31.7	8%	0.084	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-43.9	179.7	-69.5	-177.5	0	0	0	113.1	Y91 F123 M124 C130 L131 Q132 L283	Y91-L128 HydrophobicContact CE2-CB 4.03Å; F123-L128 HydrophobicContact CD1-CD1 4.11Å; F123-L128 HydrophobicContact CD1-CG 4.32Å; F123-L128 HydrophobicContact CE1-CD1 3.7Å; F123-L128 HydrophobicContact CE1-CD2 4.3Å; F123-L128 HydrophobicContact CE1-CG 4Å; F123-L128 HydrophobicContact CE2-CD2 4.38Å; F123-L128 HydrophobicContact CZ-CD1 4.22Å; F123-L128 HydrophobicContact CZ-CD2 3.96Å; F123-L128 HydrophobicContact CZ-CG 4.11Å; F123-L128 PolarHBondContact O-N 2.95Å; M124-L128 HydrophobicContact SD-CD1 3.68Å; L128-C130 PolarHBondContact O-N 2.61Å; L128-L131 PolarHBondContact O-N 3.04Å; L128-Q132 VanDerWaalsContact O-CB 3.31Å; L128-Q132 WeakPolarHBondContact O-CB 3.4Å; L128-Q132 PolarHBondContact O-N 3.33Å; L128-L283 HydrophobicContact CB-CD2 4.14Å; L128-L283 HydrophobicContact CD1-CD2 4.06Å; L128-L283 HydrophobicContact CD2-CD2 4.16Å; L128-L283 HydrophobicContact CG-CD2 4.35Å
129	P	88.5	Confident	87.8	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.013	13%	0.133	C	C	.	.	H	α-helix	trans	-64	-37.1	175.9	-25.7	37.5	0	0	0	113.5	Y91 N133 R443	Y91-P129 HydrophobicContact CE2-CG 4Å; P129-N133 PolarHBondContact O-N 3.18Å; P129-N133 PolarHBondContact O-ND2 3.16Å; P129-R443 VanDerWaalsContact CG-NH2 3.33Å
130	C	91.4	Very high	88.9	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-50.9	175.6	-167.9	0	0	0	0	110.9	V126 Y127 L128 Q132 N133 I134 A461	V126-C130 WeakPolarHBondContact O-CB 3.49Å; V126-C130 PolarHBondContact O-N 2.94Å; Y127-C130 PolarHBondContact O-N 2.79Å; L128-C130 PolarHBondContact O-N 2.61Å; C130-Q132 VanDerWaalsContact C-N 3.28Å; C130-Q132 PolarHBondContact O-N 2.97Å; C130-N133 PolarHBondContact O-N 3.47Å; C130-I134 WeakPolarHBondContact O-CG1 3.21Å; C130-I134 PolarHBondContact O-N 3.35Å; C130-I134 VanDerWaalsContact O-N 3.09Å; C130-A461 HydrophobicContact CB-CB 3.71Å
131	L	91	Very high	89.4	Confident	9 Å²	9	18.3 Å²	18.3	5%	0.047	10%	0.101	C	C	.	.	H	α-helix	trans	-56.9	-39	176.9	-179	148.7	0	0	0	112.4	Y127 L128 N133 I134 F135 L283 A461 T464 T465	Y127-L131 HydrophobicContact CE1-CD1 4.11Å; Y127-L131 HydrophobicContact CE2-CD1 4.33Å; Y127-L131 VanDerWaalsContact O-CB 3.32Å; Y127-L131 WeakPolarHBondContact O-CB 3.47Å; Y127-L131 PolarHBondContact O-N 3.15Å; L128-L131 PolarHBondContact O-N 3.04Å; L131-N133 PolarHBondContact O-N 2.85Å; L131-I134 PolarHBondContact O-N 3.08Å; L131-F135 HydrophobicContact CD1-CE2 4.1Å; L131-F135 HydrophobicContact CD2-CD2 3.68Å; L131-F135 HydrophobicContact CD2-CE2 3.74Å; L131-F135 HydrophobicContact CG-CD2 3.86Å; L131-F135 HydrophobicContact CG-CE2 3.64Å; L131-F135 WeakPolarHBondContact O-CD2 3.46Å; L131-F135 PolarHBondContact O-N 3.28Å; L131-L283 HydrophobicContact CD2-CD1 3.97Å; L131-A461 HydrophobicContact CB-CB 4.47Å; L131-T464 HydrophobicContact CD1-CG2 4.14Å; L131-T465 HydrophobicContact CG-CG2 4.46Å
132	Q	89.1	Confident	89.8	Confident	13 Å²	13	16.4 Å²	16.4	6%	0.061	8%	0.081	C	C	.	.	H	α-helix	trans	-68.6	-27.9	177.4	-170.3	168	10.9	0	0	114	Y91 N93 L128 C130 A279 L283	Y91-Q132 PolarHBondContact OH-OE1 3.42Å; N93-Q132 VanDerWaalsContact CB-OE1 3.31Å; N93-Q132 PolarHBondContact ND2-NE2 3.06Å; L128-Q132 VanDerWaalsContact O-CB 3.31Å; L128-Q132 WeakPolarHBondContact O-CB 3.4Å; L128-Q132 PolarHBondContact O-N 3.33Å; C130-Q132 VanDerWaalsContact C-N 3.28Å; C130-Q132 PolarHBondContact O-N 2.97Å; Q132-A279 PolarHBondContact NE2-O 2.83Å; Q132-L283 HydrophobicContact CB-CD1 4.2Å; Q132-L283 HydrophobicContact CG-CD1 4.45Å
133	N	87.6	Confident	89.9	Confident	35 Å²	35	14.4 Å²	14.4	19%	0.187	7%	0.068	C	C	.	.	H	α-helix	trans	-87.1	-24.9	177.3	-79.4	-96.8	0	0	0	113.1	P129 C130 L131 A439 Q524	P129-N133 PolarHBondContact O-N 3.18Å; P129-N133 PolarHBondContact O-ND2 3.16Å; C130-N133 PolarHBondContact O-N 3.47Å; L131-N133 PolarHBondContact O-N 2.85Å; N133-A439 HydrophobicContact CB-CB 3.78Å; N133-A439 VanDerWaalsContact ND2-CB 3.26Å; N133-A439 WeakPolarHBondContact ND2-CB 3.44Å; N133-Q524 PolarHBondContact ND2-NE2 3.49Å; N133-Q524 PolarHBondContact OD1-NE2 3.04Å
134	I	92.2	Very high	90.1	Very high	3 Å²	3	9 Å²	9	2%	0.015	5%	0.045	C	C	.	.	H	α-helix	trans	-77.2	-43	177.7	-62.7	160.1	0	0	0	110.4	C130 L131 G136 S433 T435 I437 A461 I462 T465 Y469	C130-I134 WeakPolarHBondContact O-CG1 3.21Å; C130-I134 PolarHBondContact O-N 3.35Å; C130-I134 VanDerWaalsContact O-N 3.09Å; L131-I134 PolarHBondContact O-N 3.08Å; I134-G136 PolarHBondContact O-N 2.93Å; I134-S433 VanDerWaalsContact CG2-O 3.3Å; I134-S433 WeakPolarHBondContact CG2-O 3.38Å; I134-S433 VanDerWaalsContact O-O 3.13Å; I134-T435 VanDerWaalsContact CG1-O 3.29Å; I134-T435 WeakPolarHBondContact CG1-O 3.37Å; I134-I437 HydrophobicContact CD1-CG2 4.43Å; I134-A461 HydrophobicContact CD1-CB 4.49Å; I134-I462 HydrophobicContact CD1-CG1 4.21Å; I134-T465 HydrophobicContact CB-CG2 3.9Å; I134-T465 HydrophobicContact CD1-CG2 4.04Å; I134-T465 HydrophobicContact CG2-CG2 3.67Å; I134-Y469 HydrophobicContact CG2-CE2 4.14Å; I134-Y469 PolarHBondContact O-OH 3.09Å
135	F	91.1	Very high	90.6	Very high	8 Å²	8	7.4 Å²	7.4	4%	0.035	4%	0.037	C	C	.	.	S	Bend	trans	-73.5	86.5	179.4	-71.6	-44.9	0	0	0	112.7	L131 L139 V286 I290 T465 V468	L131-F135 HydrophobicContact CD1-CE2 4.1Å; L131-F135 HydrophobicContact CD2-CD2 3.68Å; L131-F135 HydrophobicContact CD2-CE2 3.74Å; L131-F135 HydrophobicContact CG-CD2 3.86Å; L131-F135 HydrophobicContact CG-CE2 3.64Å; L131-F135 WeakPolarHBondContact O-CD2 3.46Å; L131-F135 PolarHBondContact O-N 3.28Å; F135-L139 HydrophobicContact CD1-CD2 3.9Å; F135-L139 HydrophobicContact CE1-CD2 4.33Å; F135-V286 HydrophobicContact CB-CG1 3.78Å; F135-V286 HydrophobicContact CD2-CG1 3.78Å; F135-V286 HydrophobicContact CG-CG1 4.06Å; F135-I290 HydrophobicContact CD1-CD1 4.16Å; F135-I290 HydrophobicContact CD2-CD1 3.85Å; F135-I290 HydrophobicContact CE1-CD1 4Å; F135-I290 HydrophobicContact CE2-CD1 3.66Å; F135-I290 HydrophobicContact CG-CD1 4.1Å; F135-I290 HydrophobicContact CZ-CD1 3.75Å; F135-T465 HydrophobicContact CD1-CG2 4.26Å; F135-T465 HydrophobicContact CD2-CG2 4.37Å; F135-T465 HydrophobicContact CE1-CG2 3.81Å; F135-T465 HydrophobicContact CE2-CG2 3.95Å; F135-T465 HydrophobicContact CZ-CG2 3.65Å; F135-V468 HydrophobicContact CE1-CB 4.09Å; F135-V468 HydrophobicContact CE1-CG1 3.88Å; F135-V468 HydrophobicContact CZ-CB 4.05Å; F135-V468 HydrophobicContact CZ-CG1 4.08Å; F135-V468 HydrophobicContact CZ-CG2 4.06Å
136	G	82.9	Confident	91.1	Very high	4 Å²	4	7.5 Å²	7.5	4%	0.041	4%	0.038	C	C	.	.			trans	-104	-178.2	176.1	0	0	0	0	0	115.2	I134 I138 L139	I134-G136 PolarHBondContact O-N 2.93Å; G136-I138 PolarHBondContact O-N 3.5Å; G136-I138 VanDerWaalsContact O-N 3.08Å; G136-L139 PolarHBondContact O-N 3.44Å
137	V	88.5	Confident	91.3	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-33.4	-174.4	67.6	0	0	0	0	115.4	L139 F140 L141 M217 Y218 T518 L577	V137-L139 PolarHBondContact O-N 2.84Å; V137-F140 PolarHBondContact O-N 2.74Å; V137-L141 HydrophobicContact CG2-CB 4.12Å; V137-L141 HydrophobicContact CG2-CD1 4.06Å; V137-L141 HydrophobicContact CG2-CD2 3.76Å; V137-L141 HydrophobicContact CG2-CG 4.19Å; V137-L141 PolarHBondContact O-N 2.73Å; V137-M217 HydrophobicContact CG1-CE 4.08Å; V137-Y218 HydrophobicContact CB-CD1 4.46Å; V137-Y218 HydrophobicContact CG1-CD1 4.15Å; V137-Y218 HydrophobicContact CG1-CE1 4.38Å; V137-T518 HydrophobicContact CB-CG2 3.86Å; V137-T518 HydrophobicContact CG2-CG2 4.02Å; V137-L577 HydrophobicContact CG1-CD1 4.39Å
138	I	91.7	Very high	91.3	Very high	3 Å²	3	6.2 Å²	6.2	2%	0.015	4%	0.035	C	C	.	.	H	α-helix	trans	-57.2	-33.8	-178.3	-66.1	-61	0	0	0	112.6	G136 F140 R142 L143 M217 I429 Y430 L577	G136-I138 PolarHBondContact O-N 3.5Å; G136-I138 VanDerWaalsContact O-N 3.08Å; I138-F140 PolarHBondContact O-N 2.73Å; I138-R142 HydrophobicContact CD1-CB 3.98Å; I138-R142 HydrophobicContact CD1-CG 3.86Å; I138-R142 HydrophobicContact CG2-CB 4.33Å; I138-R142 PolarHBondContact O-N 3.07Å; I138-R142 VanDerWaalsContact O-N 3.17Å; I138-L143 PolarHBondContact O-N 3.28Å; I138-M217 HydrophobicContact CD1-CE 3.53Å; I138-M217 HydrophobicContact CG1-CE 3.62Å; I138-I429 HydrophobicContact CD1-CG2 4.32Å; I138-I429 WeakPolarHBondContact CD1-O 3.46Å; I138-Y430 HydrophobicContact CG2-CD2 4.26Å; I138-L577 HydrophobicContact CD1-CD2 4.26Å
139	L	91.8	Very high	91.5	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.01	3%	0.031	C	C	.	.	H	α-helix	trans	-57.6	-37.7	176.9	177.4	58.3	0	0	0	112.2	F135 G136 V137 L143 I290 Y469	F135-L139 HydrophobicContact CD1-CD2 3.9Å; F135-L139 HydrophobicContact CE1-CD2 4.33Å; G136-L139 PolarHBondContact O-N 3.44Å; V137-L139 PolarHBondContact O-N 2.84Å; L139-L143 HydrophobicContact CD1-CD2 3.82Å; L139-I290 HydrophobicContact CD2-CD1 4.02Å; L139-I290 HydrophobicContact CD2-CG1 4.03Å; L139-Y469 HydrophobicContact CB-CE1 4.03Å; L139-Y469 HydrophobicContact CD1-CD1 4.02Å; L139-Y469 HydrophobicContact CD1-CE1 3.8Å; L139-Y469 HydrophobicContact CG-CE1 4.36Å
140	F	91.6	Very high	91.7	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.009	3%	0.03	C	C	.	.	H	α-helix	trans	-99.5	-35.4	-173.4	-56	-66.5	0	0	0	113.1	V137 I138 I293 V499 I510	V137-F140 PolarHBondContact O-N 2.74Å; I138-F140 PolarHBondContact O-N 2.73Å; F140-I293 HydrophobicContact CD1-CD1 4.26Å; F140-I293 HydrophobicContact CE1-CD1 4Å; F140-V499 WeakPolarHBondContact O-CG1 3.34Å; F140-I510 HydrophobicContact CD1-CG2 3.92Å
141	L	90.6	Very high	91.9	Very high	7 Å²	7	5.5 Å²	5.5	4%	0.037	3%	0.031	C	C	.	.	H	α-helix	trans	-102.9	-14.6	-170.4	-92.2	67.6	0	0	0	115.1	V137 E224 I225 L497	V137-L141 HydrophobicContact CG2-CB 4.12Å; V137-L141 HydrophobicContact CG2-CD1 4.06Å; V137-L141 HydrophobicContact CG2-CD2 3.76Å; V137-L141 HydrophobicContact CG2-CG 4.19Å; V137-L141 PolarHBondContact O-N 2.73Å; L141-E224 HydrophobicContact CD2-CB 4.17Å; L141-E224 HydrophobicContact CD2-CG 4.27Å; L141-E224 WeakPolarHBondContact CD2-OE1 3.47Å; L141-I225 HydrophobicContact CD1-CD1 3.86Å; L141-I225 HydrophobicContact CD1-CG1 3.77Å; L141-I225 HydrophobicContact CD2-CD1 4.36Å; L141-I225 HydrophobicContact CD2-CG1 3.88Å; L141-I225 HydrophobicContact CG-CG1 4.37Å; L141-L497 HydrophobicContact CD1-CD1 4.2Å
142	R	93.4	Very high	92.1	Very high	1 Å²	1	5.6 Å²	5.6	0%	0.004	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.4	-22.1	-174.1	-65.8	-62.7	-177.4	-84.7	-5.8	115.2	I138 T144 W145 V146 E224 I429 K488 D578	I138-R142 HydrophobicContact CD1-CB 3.98Å; I138-R142 HydrophobicContact CD1-CG 3.86Å; I138-R142 HydrophobicContact CG2-CB 4.33Å; I138-R142 PolarHBondContact O-N 3.07Å; I138-R142 VanDerWaalsContact O-N 3.17Å; R142-T144 VanDerWaalsContact C-N 3.34Å; R142-T144 PolarHBondContact O-N 3.44Å; R142-W145 PolarHBondContact O-N 2.83Å; R142-W145 VanDerWaalsContact O-N 3.12Å; R142-V146 WeakPolarHBondContact O-CG2 3.46Å; R142-V146 PolarHBondContact O-N 2.95Å; R142-E224 IonicContact CZ-OE1 3.5Å; R142-E224 IonicContact CZ-OE2 3.86Å; R142-E224 IonicContact NH1-OE1 2.67Å; R142-E224 PolarHBondContact NH1-OE1 2.83Å; R142-E224 IonicContact NH1-OE2 2.78Å; R142-E224 IonicContact NH2-OE1 3.9Å; R142-E224 PolarHBondContact NH2-OE1 3.04Å; R142-E224 IonicContact NH2-OE2 3.45Å; R142-E224 PolarHBondContact NH2-OE2 3.31Å; R142-I429 HydrophobicContact CG-CG2 4.46Å; R142-K488 VanDerWaalsContact NH2-CE 3.3Å; R142-D578 IonicContact CZ-OD1 3.38Å; R142-D578 IonicContact CZ-OD2 2.74Å; R142-D578 IonicContact NE-OD1 3.43Å; R142-D578 PolarHBondContact NE-OD1 3.29Å; R142-D578 IonicContact NE-OD2 3.15Å; R142-D578 PolarHBondContact NE-OD2 3.46Å; R142-D578 IonicContact NH2-OD1 2.71Å; R142-D578 IonicContact NH2-OD2 2.71Å; R142-D578 PolarHBondContact NH2-OD2 3.43Å
143	L	93.6	Very high	92.4	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-63	-37	-176.1	-172.3	57.3	0	0	0	113.3	I138 L139 V147 Y430 Y469 V473 F476	I138-L143 PolarHBondContact O-N 3.28Å; L139-L143 HydrophobicContact CD1-CD2 3.82Å; L143-V147 VanDerWaalsContact O-CG2 3.25Å; L143-V147 WeakPolarHBondContact O-CG2 3.41Å; L143-V147 PolarHBondContact O-N 3.21Å; L143-V147 VanDerWaalsContact O-N 3.1Å; L143-Y430 HydrophobicContact CD1-CD2 4.3Å; L143-Y430 HydrophobicContact CD1-CE2 3.98Å; L143-Y469 HydrophobicContact CD2-CD1 4.07Å; L143-V473 HydrophobicContact CD1-CG2 3.94Å; L143-F476 HydrophobicContact CB-CE2 4.2Å; L143-F476 HydrophobicContact CD2-CE2 3.92Å; L143-F476 HydrophobicContact CG-CD2 4.27Å; L143-F476 HydrophobicContact CG-CE2 3.96Å
144	T	94.2	Very high	92.7	Very high	9 Å²	9	11.2 Å²	11.2	6%	0.055	6%	0.058	C	C	.	.	H	α-helix	trans	-61.3	-45.7	172.1	45.1	0	0	0	0	111.9	R142 V147 G148 F476 I480 L485 V498 V499	R142-T144 VanDerWaalsContact C-N 3.34Å; R142-T144 PolarHBondContact O-N 3.44Å; T144-V147 PolarHBondContact O-N 2.77Å; T144-G148 PolarHBondContact O-N 3.16Å; T144-F476 HydrophobicContact CG2-CD2 3.73Å; T144-F476 HydrophobicContact CG2-CE2 3.96Å; T144-F476 HydrophobicContact CG2-CG 4.11Å; T144-I480 HydrophobicContact CG2-CD1 4.39Å; T144-L485 HydrophobicContact CG2-CD2 4.2Å; T144-V498 HydrophobicContact CG2-CG1 4.06Å; T144-V499 HydrophobicContact CG2-CB 3.93Å
145	W	94.2	Very high	92.9	Very high	6 Å²	6	11 Å²	11	2%	0.023	6%	0.057	C	C	.	.	H	α-helix	trans	-64.4	-43.1	179	-177.5	76.3	0	0	0	113	R142 V147 G148 I149 M419 S421 L426 I429 L485	R142-W145 PolarHBondContact O-N 2.83Å; R142-W145 VanDerWaalsContact O-N 3.12Å; W145-V147 VanDerWaalsContact C-N 3.32Å; W145-V147 PolarHBondContact O-N 3.07Å; W145-G148 PolarHBondContact O-N 2.92Å; W145-I149 HydrophobicContact CD2-CG1 4.31Å; W145-I149 HydrophobicContact CZ2-CG1 4.14Å; W145-I149 WeakPolarHBondContact O-CG1 3.45Å; W145-I149 PolarHBondContact O-N 3.48Å; W145-M419 HydrophobicContact CH2-CE 3.81Å; W145-M419 HydrophobicContact CH2-CG 3.96Å; W145-M419 HydrophobicContact CH2-SD 3.67Å; W145-M419 HydrophobicContact CZ2-CE 4.18Å; W145-M419 HydrophobicContact CZ2-CG 4.04Å; W145-M419 HydrophobicContact CZ2-SD 4.29Å; W145-M419 HydrophobicContact CZ3-CE 4.43Å; W145-S421 WeakPolarHBondContact CZ2-OG 3.46Å; W145-L426 HydrophobicContact CE3-CD2 4.18Å; W145-L426 HydrophobicContact CH2-CD2 3.75Å; W145-L426 HydrophobicContact CZ3-CD2 3.39Å; W145-I429 HydrophobicContact CZ3-CD1 4.21Å; W145-L485 VanDerWaalsContact CA-O 3.3Å; W145-L485 WeakPolarHBondContact CA-O 3.25Å
146	V	94.8	Very high	93.1	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-57.6	-45.5	173	170.8	0	0	0	0	110.7	R142 I149 A150 S155 M158 L426	R142-V146 WeakPolarHBondContact O-CG2 3.46Å; R142-V146 PolarHBondContact O-N 2.95Å; V146-I149 PolarHBondContact O-N 3.1Å; V146-A150 WeakPolarHBondContact O-CB 3.24Å; V146-A150 PolarHBondContact O-N 3.22Å; V146-S155 PolarHBondContact O-OG 2.93Å; V146-M158 HydrophobicContact CG1-CE 3.42Å; V146-M158 VanDerWaalsContact CG1-CE 3.42Å; V146-M158 HydrophobicContact CG1-SD 4.46Å; V146-L426 HydrophobicContact CG2-CD2 4.48Å
147	V	95.6	Very high	93.6	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.091	C	C	.	.	H	α-helix	trans	-66	-37.6	177	174.9	0	0	0	0	112.2	L143 T144 W145 G151 I152 S155 V473 L485	L143-V147 VanDerWaalsContact O-CG2 3.25Å; L143-V147 WeakPolarHBondContact O-CG2 3.41Å; L143-V147 PolarHBondContact O-N 3.21Å; L143-V147 VanDerWaalsContact O-N 3.1Å; T144-V147 PolarHBondContact O-N 2.77Å; W145-V147 VanDerWaalsContact C-N 3.32Å; W145-V147 PolarHBondContact O-N 3.07Å; V147-G151 CarbonylContact O-C 3.53Å; V147-G151 WeakPolarHBondContact O-CA 3.44Å; V147-G151 PolarHBondContact O-N 3.18Å; V147-I152 HydrophobicContact CG1-CG1 4.38Å; V147-S155 WeakPolarHBondContact CA-OG 3.48Å; V147-V473 HydrophobicContact CG2-CB 4.18Å; V147-V473 HydrophobicContact CG2-CG1 4.11Å; V147-V473 HydrophobicContact CG2-CG2 3.91Å; V147-L485 HydrophobicContact CG1-CD1 4.36Å
148	G	93.3	Very high	93.9	Very high	6 Å²	6	17.5 Å²	17.5	6%	0.062	9%	0.091	C	C	.	.	H	α-helix	trans	-68	-33.9	177.3	0	0	0	0	0	114.5	T144 W145 R486	T144-G148 PolarHBondContact O-N 3.16Å; W145-G148 PolarHBondContact O-N 2.92Å; G148-R486 WeakPolarHBondContact O-CD 3.45Å; G148-R486 WeakPolarHBondContact O-CG 3.31Å
149	I	94.2	Very high	94.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-88.2	-46.4	-178.2	-62.7	-70.8	0	0	0	112	W145 V146 S383 S384 Y385 L386 L426 R486	W145-I149 HydrophobicContact CD2-CG1 4.31Å; W145-I149 HydrophobicContact CZ2-CG1 4.14Å; W145-I149 WeakPolarHBondContact O-CG1 3.45Å; W145-I149 PolarHBondContact O-N 3.48Å; V146-I149 PolarHBondContact O-N 3.1Å; I149-S383 WeakPolarHBondContact O-CA 3.12Å; I149-S384 CarbonylContact O-C 3.6Å; I149-S384 PolarHBondContact O-N 2.9Å; I149-Y385 HydrophobicContact CG2-CD1 3.71Å; I149-Y385 HydrophobicContact CG2-CE1 3.96Å; I149-L386 HydrophobicContact CD1-CD1 4.25Å; I149-L426 HydrophobicContact CB-CD1 4.35Å; I149-L426 HydrophobicContact CG2-CD1 3.98Å; I149-R486 HydrophobicContact CD1-CB 4.42Å; I149-R486 HydrophobicContact CD1-CG 3.95Å; I149-R486 HydrophobicContact CG1-CG 4.49Å
150	A	94.1	Very high	94.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-85.7	-14.1	-178.9	0	0	0	0	0	113.2	V146 E154 M158 S383 L426	V146-A150 WeakPolarHBondContact O-CB 3.24Å; V146-A150 PolarHBondContact O-N 3.22Å; A150-E154 HydrophobicContact CB-CB 4.03Å; A150-E154 WeakPolarHBondContact O-CB 3.19Å; A150-M158 HydrophobicContact CB-CE 4.32Å; A150-S383 WeakPolarHBondContact O-CA 3.49Å; A150-S383 WeakPolarHBondContact O-CB 3.37Å; A150-L426 HydrophobicContact CB-CD1 3.8Å
151	G	94.9	Very high	94.4	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	69.2	172	-168.8	0	0	0	0	0	112	V147 M153 S155 N380	V147-G151 CarbonylContact O-C 3.53Å; V147-G151 WeakPolarHBondContact O-CA 3.44Å; V147-G151 PolarHBondContact O-N 3.18Å; G151-M153 PolarHBondContact O-N 3.37Å; G151-S155 WeakPolarHBondContact O-CB 3.12Å; G151-S155 PolarHBondContact O-N 3.07Å; G151-S155 PolarHBondContact O-OG 3.39Å; G151-N380 WeakPolarHBondContact CA-O 3.33Å
152	I	95.3	Very high	94.5	Very high	11 Å²	11	25 Å²	25	6%	0.056	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-41.5	-175.5	-62.2	161.2	0	0	0	111.8	V147 F156 I377 N380 L381 V473 V474	V147-I152 HydrophobicContact CG1-CG1 4.38Å; I152-F156 VanDerWaalsContact O-CB 3.28Å; I152-F156 WeakPolarHBondContact O-CB 3.48Å; I152-F156 PolarHBondContact O-N 3.32Å; I152-I377 HydrophobicContact CD1-CG1 3.58Å; I152-N380 HydrophobicContact CD1-CB 4.17Å; I152-N380 WeakPolarHBondContact CG1-O 3.37Å; I152-N380 PolarHBondContact N-O 3.33Å; I152-L381 PolarHBondContact N-O 3.17Å; I152-V473 HydrophobicContact CG2-CG1 4.36Å; I152-V474 HydrophobicContact CG2-CG2 4.35Å
153	M	94.7	Very high	94.6	Very high	110 Å²	110	25.4 Å²	25.4	54%	0.542	13%	0.128	S	C	.	.	H	α-helix	trans	-67.6	-49.9	-172.5	-73	-61.7	-61.5	0	0	113.4	G151 F156 C157 L381	G151-M153 PolarHBondContact O-N 3.37Å; M153-F156 PolarHBondContact O-N 3.4Å; M153-C157 PolarHBondContact O-N 3.18Å; M153-C157 VanDerWaalsContact O-N 3.15Å; M153-L381 HydrophobicContact CG-CD1 3.67Å; M153-L381 HydrophobicContact CG-CG 3.89Å; M153-L381 PolarHBondContact N-O 3.28Å; M153-L381 HydrophobicContact SD-CD1 4.11Å
154	E	94.8	Very high	94.7	Very high	56 Å²	56	26.9 Å²	26.9	26%	0.262	14%	0.139	S	C	.	.	H	α-helix	trans	-71.3	-35.2	179.5	-63.3	177.9	-149.7	0	0	111.1	A150 C157 M158 S383 Y385 F423	A150-E154 HydrophobicContact CB-CB 4.03Å; A150-E154 WeakPolarHBondContact O-CB 3.19Å; E154-C157 PolarHBondContact O-N 3.46Å; E154-M158 WeakPolarHBondContact O-CB 3.5Å; E154-M158 PolarHBondContact O-N 3.16Å; E154-S383 VanDerWaalsContact OE1-CB 3.22Å; E154-S383 WeakPolarHBondContact OE1-CB 3.4Å; E154-S383 PolarHBondContact OE1-OG 3.07Å; E154-Y385 WeakPolarHBondContact OE2-CE2 3.47Å; E154-Y385 PolarHBondContact OE2-OH 3.42Å; E154-F423 HydrophobicContact CB-CD2 4.29Å; E154-F423 HydrophobicContact CB-CE2 4.19Å
155	S	95.3	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.6	-47.2	172.8	-61.4	0	0	0	0	112.2	V146 V147 G151 C157 M158 V159	V146-S155 PolarHBondContact O-OG 2.93Å; V147-S155 WeakPolarHBondContact CA-OG 3.48Å; G151-S155 WeakPolarHBondContact O-CB 3.12Å; G151-S155 PolarHBondContact O-N 3.07Å; G151-S155 PolarHBondContact O-OG 3.39Å; S155-C157 VanDerWaalsContact C-N 3.31Å; S155-C157 PolarHBondContact O-N 3.09Å; S155-M158 PolarHBondContact O-N 3.25Å; S155-V159 VanDerWaalsContact O-CG2 3.29Å; S155-V159 WeakPolarHBondContact O-CG2 3.3Å; S155-V159 PolarHBondContact O-N 3.28Å
156	F	95.4	Very high	94.8	Very high	88 Å²	88	26.3 Å²	26.3	39%	0.386	14%	0.136	S	C	.	.	H	α-helix	trans	-58.9	-44.2	176.8	-178.8	-79.5	0	0	0	111.2	I152 M153 V159 F160 I470 V473	I152-F156 VanDerWaalsContact O-CB 3.28Å; I152-F156 WeakPolarHBondContact O-CB 3.48Å; I152-F156 PolarHBondContact O-N 3.32Å; M153-F156 PolarHBondContact O-N 3.4Å; F156-V159 PolarHBondContact O-N 3.2Å; F156-F160 VanDerWaalsContact O-CB 3.3Å; F156-F160 WeakPolarHBondContact O-CB 3.26Å; F156-F160 PolarHBondContact O-N 3.38Å; F156-I470 HydrophobicContact CD2-CG2 3.92Å; F156-I470 HydrophobicContact CE2-CG2 3.47Å; F156-I470 VanDerWaalsContact CE2-CG2 3.47Å; F156-I470 HydrophobicContact CZ-CG2 4.35Å; F156-V473 HydrophobicContact CB-CG1 4.48Å
157	C	94.3	Very high	94.9	Very high	59 Å²	59	28.7 Å²	28.7	40%	0.399	15%	0.147	S	C	.	.	H	α-helix	trans	-62.3	-47.1	177.4	-169.6	0	0	0	0	112	M153 E154 S155 F160 I161	M153-C157 PolarHBondContact O-N 3.18Å; M153-C157 VanDerWaalsContact O-N 3.15Å; E154-C157 PolarHBondContact O-N 3.46Å; S155-C157 VanDerWaalsContact C-N 3.31Å; S155-C157 PolarHBondContact O-N 3.09Å; C157-F160 PolarHBondContact O-N 2.79Å; C157-I161 VanDerWaalsContact O-CG1 3.3Å; C157-I161 WeakPolarHBondContact O-CG1 3.11Å; C157-I161 PolarHBondContact O-N 2.88Å
158	M	94.6	Very high	94.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-47.3	176.6	164.5	164.7	42.5	0	0	112.4	V146 A150 E154 S155 I161 C162 F423 L426 V427 Y430	V146-M158 HydrophobicContact CG1-CE 3.42Å; V146-M158 VanDerWaalsContact CG1-CE 3.42Å; V146-M158 HydrophobicContact CG1-SD 4.46Å; A150-M158 HydrophobicContact CB-CE 4.32Å; E154-M158 WeakPolarHBondContact O-CB 3.5Å; E154-M158 PolarHBondContact O-N 3.16Å; S155-M158 PolarHBondContact O-N 3.25Å; M158-I161 PolarHBondContact O-N 3.13Å; M158-C162 WeakPolarHBondContact O-CB 3.42Å; M158-C162 PolarHBondContact O-N 2.92Å; M158-C162 VanDerWaalsContact O-N 3.08Å; M158-C162 PolarHBondContact O-SG 2.71Å; M158-F423 HydrophobicContact CB-CE2 4.19Å; M158-F423 HydrophobicContact CB-CZ 4.31Å; M158-L426 HydrophobicContact CE-CB 3.95Å; M158-L426 HydrophobicContact SD-CB 3.88Å; M158-V427 HydrophobicContact CG-CG2 3.99Å; M158-V427 HydrophobicContact SD-CB 4.31Å; M158-V427 HydrophobicContact SD-CG2 3.73Å; M158-V427 PolarHBondContact SD-N 2.79Å; M158-V427 VanDerWaalsContact SD-N 3.43Å; M158-Y430 HydrophobicContact CG-CD1 4.23Å; M158-Y430 HydrophobicContact CG-CG 4.42Å
159	V	94.9	Very high	95.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-48.3	175.2	173.5	0	0	0	0	110.6	S155 F156 I161 C162 C163 Y430 I470 V473	S155-V159 VanDerWaalsContact O-CG2 3.29Å; S155-V159 WeakPolarHBondContact O-CG2 3.3Å; S155-V159 PolarHBondContact O-N 3.28Å; F156-V159 PolarHBondContact O-N 3.2Å; V159-I161 PolarHBondContact O-N 3.42Å; V159-C162 PolarHBondContact O-N 3.26Å; V159-C163 WeakPolarHBondContact O-CB 3.28Å; V159-C163 PolarHBondContact O-N 2.97Å; V159-C163 PolarHBondContact O-SG 3.34Å; V159-C163 VanDerWaalsContact O-SG 3.35Å; V159-Y430 HydrophobicContact CB-CE1 4.42Å; V159-Y430 HydrophobicContact CG2-CE1 3.99Å; V159-Y430 HydrophobicContact CG2-CE2 3.95Å; V159-I470 HydrophobicContact CG1-CD1 4.48Å; V159-I470 HydrophobicContact CG1-CG1 3.58Å; V159-V473 HydrophobicContact CG2-CG2 4.01Å
160	F	94.9	Very high	95.1	Very high	114 Å²	114	29.3 Å²	29.3	50%	0.5	15%	0.149	S	C	.	.	H	α-helix	trans	-60.1	-42.1	-179	179.6	-97	0	0	0	112.8	F156 C157 S164	F156-F160 VanDerWaalsContact O-CB 3.3Å; F156-F160 WeakPolarHBondContact O-CB 3.26Å; F156-F160 PolarHBondContact O-N 3.38Å; C157-F160 PolarHBondContact O-N 2.79Å; F160-S164 VanDerWaalsContact O-CB 3.25Å; F160-S164 WeakPolarHBondContact O-CB 3.45Å; F160-S164 PolarHBondContact O-N 3Å; F160-S164 PolarHBondContact O-OG 2.88Å
161	I	94.5	Very high	95.2	Very high	56 Å²	56	30.5 Å²	30.5	29%	0.287	16%	0.156	S	C	.	.	H	α-helix	trans	-65.2	-46.3	177.1	-67.8	165.1	0	0	0	110.7	C157 M158 V159 S164 C165 L632	C157-I161 VanDerWaalsContact O-CG1 3.3Å; C157-I161 WeakPolarHBondContact O-CG1 3.11Å; C157-I161 PolarHBondContact O-N 2.88Å; M158-I161 PolarHBondContact O-N 3.13Å; V159-I161 PolarHBondContact O-N 3.42Å; I161-S164 PolarHBondContact O-N 3.09Å; I161-C165 PolarHBondContact O-N 2.87Å; I161-L632 HydrophobicContact CG2-CD1 4.39Å; I161-L632 HydrophobicContact CG2-CD2 3.99Å; I161-L632 HydrophobicContact CG2-CG 4.47Å
162	C	94.4	Very high	95.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-46.3	179.8	-66.9	0	0	0	0	111.9	M158 V159 S164 C165 T166 Y430 F431 V434	M158-C162 WeakPolarHBondContact O-CB 3.42Å; M158-C162 PolarHBondContact O-N 2.92Å; M158-C162 VanDerWaalsContact O-N 3.08Å; M158-C162 PolarHBondContact O-SG 2.71Å; V159-C162 PolarHBondContact O-N 3.26Å; C162-S164 PolarHBondContact O-N 3.34Å; C162-C165 WeakPolarHBondContact O-CB 3.22Å; C162-C165 PolarHBondContact O-N 3.24Å; C162-T166 PolarHBondContact O-N 3.15Å; C162-T166 PolarHBondContact O-OG1 2.91Å; C162-Y430 HydrophobicContact CB-CD1 4.18Å; C162-Y430 HydrophobicContact CB-CE1 3.94Å; C162-F431 HydrophobicContact CB-CD2 4.34Å; C162-V434 HydrophobicContact CB-CG1 4.22Å; C162-V434 HydrophobicContact CB-CG2 3.88Å
163	C	94.9	Very high	95.2	Very high	8 Å²	8	30.1 Å²	30.1	5%	0.054	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-35.6	176.1	-67.2	0	0	0	0	112.7	V159 T166 M167 S466	V159-C163 WeakPolarHBondContact O-CB 3.28Å; V159-C163 PolarHBondContact O-N 2.97Å; V159-C163 PolarHBondContact O-SG 3.34Å; V159-C163 VanDerWaalsContact O-SG 3.35Å; C163-T166 PolarHBondContact O-N 2.79Å; C163-T166 PolarHBondContact O-OG1 3.28Å; C163-M167 VanDerWaalsContact O-CB 3.25Å; C163-M167 WeakPolarHBondContact O-CB 3.11Å; C163-M167 PolarHBondContact O-N 3.23Å; C163-S466 WeakPolarHBondContact CB-OG 3.48Å; C163-S466 PolarHBondContact SG-OG 2.81Å
164	S	95.4	Very high	95.1	Very high	33 Å²	33	24.9 Å²	24.9	23%	0.231	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-41.4	174.4	-64.1	0	0	0	0	111.7	F160 I161 C162 T166 M167 L168	F160-S164 VanDerWaalsContact O-CB 3.25Å; F160-S164 WeakPolarHBondContact O-CB 3.45Å; F160-S164 PolarHBondContact O-N 3Å; F160-S164 PolarHBondContact O-OG 2.88Å; I161-S164 PolarHBondContact O-N 3.09Å; C162-S164 PolarHBondContact O-N 3.34Å; S164-T166 PolarHBondContact O-N 2.99Å; S164-M167 PolarHBondContact O-N 3.4Å; S164-L168 WeakPolarHBondContact O-CG 3.49Å; S164-L168 PolarHBondContact O-N 2.87Å
165	C	95.6	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-44	176.4	-170.7	0	0	0	0	112.2	I161 C162 T169 C629 L632	I161-C165 PolarHBondContact O-N 2.87Å; C162-C165 WeakPolarHBondContact O-CB 3.22Å; C162-C165 PolarHBondContact O-N 3.24Å; C165-T169 PolarHBondContact O-N 2.96Å; C165-T169 PolarHBondContact O-OG1 2.91Å; C165-C629 PolarHBondContact SG-SG 3.49Å; C165-L632 HydrophobicContact CB-CD1 3.99Å
166	T	95.4	Very high	95	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-78.7	-32.7	-178.8	58.8	0	0	0	0	112.7	C162 C163 S164 T169 A170 V434 Y592	C162-T166 PolarHBondContact O-N 3.15Å; C162-T166 PolarHBondContact O-OG1 2.91Å; C163-T166 PolarHBondContact O-N 2.79Å; C163-T166 PolarHBondContact O-OG1 3.28Å; S164-T166 PolarHBondContact O-N 2.99Å; T166-T169 PolarHBondContact O-N 2.92Å; T166-A170 WeakPolarHBondContact O-CB 3.36Å; T166-A170 PolarHBondContact O-N 3.49Å; T166-V434 HydrophobicContact CG2-CB 4.04Å; T166-V434 HydrophobicContact CG2-CG2 3.69Å; T166-V434 WeakPolarHBondContact CG2-O 3.45Å; T166-Y592 HydrophobicContact CG2-CD2 4.42Å; T166-Y592 HydrophobicContact CG2-CE2 4.03Å
167	M	95.9	Very high	94.8	Very high	52 Å²	52	18.1 Å²	18.1	26%	0.256	10%	0.097	S	C	.	.	H	α-helix	trans	-62.1	-47.1	171.8	-176.6	60.6	76.5	0	0	112.4	C163 S164 T169 A170 I171 I459 I462 A463	C163-M167 VanDerWaalsContact O-CB 3.25Å; C163-M167 WeakPolarHBondContact O-CB 3.11Å; C163-M167 PolarHBondContact O-N 3.23Å; S164-M167 PolarHBondContact O-N 3.4Å; M167-T169 VanDerWaalsContact C-N 3.28Å; M167-T169 PolarHBondContact O-N 2.92Å; M167-A170 WeakPolarHBondContact O-CB 3.38Å; M167-A170 PolarHBondContact O-N 3.28Å; M167-A170 VanDerWaalsContact O-N 3.13Å; M167-I171 PolarHBondContact O-N 3.43Å; M167-I459 HydrophobicContact CE-CG2 4.35Å; M167-I459 HydrophobicContact SD-CG2 4.01Å; M167-I462 HydrophobicContact CB-CG2 4.44Å; M167-I462 HydrophobicContact CE-CB 4.07Å; M167-I462 HydrophobicContact CE-CG2 3.76Å; M167-A463 HydrophobicContact CE-CB 4.5Å
168	L	96.6	Very high	94.6	Very high	20 Å²	20	15.9 Å²	15.9	11%	0.105	8%	0.082	C	C	.	.	H	α-helix	trans	-61.9	-38.1	175.5	-70.2	166	0	0	0	111.5	S164 A170 I171 S172 L621 L624 L628	S164-L168 WeakPolarHBondContact O-CG 3.49Å; S164-L168 PolarHBondContact O-N 2.87Å; L168-A170 VanDerWaalsContact C-N 3.34Å; L168-A170 PolarHBondContact O-N 3.46Å; L168-I171 PolarHBondContact O-N 2.95Å; L168-S172 PolarHBondContact O-N 2.83Å; L168-S172 VanDerWaalsContact O-N 3.1Å; L168-S172 PolarHBondContact O-OG 2.92Å; L168-L621 HydrophobicContact CD2-CB 4.09Å; L168-L621 HydrophobicContact CD2-CD2 4.11Å; L168-L624 HydrophobicContact CD1-CB 4.37Å; L168-L624 HydrophobicContact CD1-CD2 3.96Å; L168-L624 HydrophobicContact CD1-CG 3.89Å; L168-L628 HydrophobicContact CD1-CD1 3.73Å
169	T	96.1	Very high	94.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.2	-35.1	174.6	-52.4	0	0	0	0	112.3	C165 T166 M167 S172 M173 I437 Y592 V595 N596	C165-T169 PolarHBondContact O-N 2.96Å; C165-T169 PolarHBondContact O-OG1 2.91Å; T166-T169 PolarHBondContact O-N 2.92Å; M167-T169 VanDerWaalsContact C-N 3.28Å; M167-T169 PolarHBondContact O-N 2.92Å; T169-S172 WeakPolarHBondContact O-CB 3.24Å; T169-S172 PolarHBondContact O-N 2.95Å; T169-M173 WeakPolarHBondContact O-CB 3.46Å; T169-M173 PolarHBondContact O-N 2.68Å; T169-I437 HydrophobicContact CG2-CD1 3.99Å; T169-Y592 HydrophobicContact CG2-CD1 3.9Å; T169-Y592 HydrophobicContact CG2-CG 3.83Å; T169-V595 HydrophobicContact CG2-CG1 4.46Å; T169-N596 WeakPolarHBondContact CA-OD1 3.32Å; T169-N596 PolarHBondContact OG1-ND2 3.3Å
170	A	95.7	Very high	93.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-69.8	-30.2	174.1	0	0	0	0	0	113.1	T166 M167 L168 M173 S174 T458 I462	T166-A170 WeakPolarHBondContact O-CB 3.36Å; T166-A170 PolarHBondContact O-N 3.49Å; M167-A170 WeakPolarHBondContact O-CB 3.38Å; M167-A170 PolarHBondContact O-N 3.28Å; M167-A170 VanDerWaalsContact O-N 3.13Å; L168-A170 VanDerWaalsContact C-N 3.34Å; L168-A170 PolarHBondContact O-N 3.46Å; A170-M173 PolarHBondContact O-N 2.97Å; A170-S174 WeakPolarHBondContact O-CB 3.41Å; A170-S174 PolarHBondContact O-N 3.06Å; A170-S174 PolarHBondContact O-OG 3.05Å; A170-T458 HydrophobicContact CB-CG2 4.24Å; A170-I462 HydrophobicContact CB-CD1 3.39Å
171	I	95.9	Very high	93.2	Very high	26 Å²	26	19.2 Å²	19.2	13%	0.133	12%	0.12	C	C	.	.	H	α-helix	trans	-66	-44.6	169.6	-66.5	167.3	0	0	0	110.2	M167 L168 M173 S174 A175 F614 L621	M167-I171 PolarHBondContact O-N 3.43Å; L168-I171 PolarHBondContact O-N 2.95Å; I171-M173 PolarHBondContact O-N 3.35Å; I171-S174 WeakPolarHBondContact O-CB 3.36Å; I171-S174 PolarHBondContact O-N 3.43Å; I171-A175 PolarHBondContact O-N 3.15Å; I171-F614 HydrophobicContact CG2-CE1 4.34Å; I171-L621 HydrophobicContact CG2-CD1 4.39Å
172	S	95.6	Very high	92.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-42.8	172.9	-59.7	0	0	0	0	112.3	L168 T169 S174 A175 I176 N596 S622	L168-S172 PolarHBondContact O-N 2.83Å; L168-S172 VanDerWaalsContact O-N 3.1Å; L168-S172 PolarHBondContact O-OG 2.92Å; T169-S172 WeakPolarHBondContact O-CB 3.24Å; T169-S172 PolarHBondContact O-N 2.95Å; S172-S174 VanDerWaalsContact C-N 3.32Å; S172-S174 PolarHBondContact O-N 3.44Å; S172-A175 WeakPolarHBondContact O-CB 3.37Å; S172-A175 PolarHBondContact O-N 3.3Å; S172-I176 PolarHBondContact O-N 2.89Å; S172-I176 VanDerWaalsContact O-N 3.16Å; S172-N596 VanDerWaalsContact CB-OD1 3.28Å; S172-N596 WeakPolarHBondContact CB-OD1 3.13Å; S172-N596 PolarHBondContact OG-OD1 2.86Å; S172-S622 WeakPolarHBondContact OG-CB 3.37Å; S172-S622 PolarHBondContact OG-OG 3.08Å
173	M	93.2	Very high	91.8	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.02	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-34.9	175.1	-164.6	-166.8	-50.2	0	0	112.3	T169 A170 I171 A175 I176 A177 M190 I437 M438	T169-M173 WeakPolarHBondContact O-CB 3.46Å; T169-M173 PolarHBondContact O-N 2.68Å; A170-M173 PolarHBondContact O-N 2.97Å; I171-M173 PolarHBondContact O-N 3.35Å; M173-A175 VanDerWaalsContact C-N 3.33Å; M173-I176 WeakPolarHBondContact O-CB 3.2Å; M173-I176 PolarHBondContact O-N 3.39Å; M173-A177 WeakPolarHBondContact O-CB 3.32Å; M173-A177 PolarHBondContact O-N 2.98Å; M173-M190 HydrophobicContact CG-CE 3.96Å; M173-I437 HydrophobicContact CE-CB 4.48Å; M173-I437 HydrophobicContact CE-CD1 3.99Å; M173-I437 HydrophobicContact CE-CG1 3.93Å; M173-M438 HydrophobicContact CE-CB 4.43Å; M173-M438 HydrophobicContact CE-CG 3.7Å
174	S	93.7	Very high	90.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-68.3	-31.4	175.6	-61.3	0	0	0	0	112.5	A170 I171 S172 T178 P455	A170-S174 WeakPolarHBondContact O-CB 3.41Å; A170-S174 PolarHBondContact O-N 3.06Å; A170-S174 PolarHBondContact O-OG 3.05Å; I171-S174 WeakPolarHBondContact O-CB 3.36Å; I171-S174 PolarHBondContact O-N 3.43Å; S172-S174 VanDerWaalsContact C-N 3.32Å; S172-S174 PolarHBondContact O-N 3.44Å; S174-T178 WeakPolarHBondContact O-CG2 3.4Å; S174-T178 PolarHBondContact O-N 3Å; S174-T178 PolarHBondContact O-OG1 3.43Å; S174-P455 WeakPolarHBondContact OG-CA 3.48Å; S174-P455 WeakPolarHBondContact OG-CB 3.4Å
175	A	93.9	Very high	89.9	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.4	-43.9	170.8	0	0	0	0	0	111.5	I171 S172 M173 T178 N179 W610 P612 Y617	I171-A175 PolarHBondContact O-N 3.15Å; S172-A175 WeakPolarHBondContact O-CB 3.37Å; S172-A175 PolarHBondContact O-N 3.3Å; M173-A175 VanDerWaalsContact C-N 3.33Å; A175-T178 PolarHBondContact O-N 3.43Å; A175-T178 PolarHBondContact O-OG1 3.31Å; A175-N179 PolarHBondContact O-N 2.83Å; A175-N179 VanDerWaalsContact O-N 3.14Å; A175-W610 HydrophobicContact CB-CH2 4.24Å; A175-W610 HydrophobicContact CB-CZ2 4.22Å; A175-P612 HydrophobicContact CB-CB 3.86Å; A175-Y617 HydrophobicContact CB-CD1 4.25Å; A175-Y617 HydrophobicContact CB-CD2 3.39Å; A175-Y617 HydrophobicContact CB-CE2 3.75Å; A175-Y617 HydrophobicContact CB-CG 3.66Å
176	I	93.6	Very high	89.4	Confident	1 Å²	1	18 Å²	18	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-58.5	-50.1	173.2	-64.2	172	0	0	0	110.6	S172 M173 T178 N179 M190 L195 V595 W610	S172-I176 PolarHBondContact O-N 2.89Å; S172-I176 VanDerWaalsContact O-N 3.16Å; M173-I176 WeakPolarHBondContact O-CB 3.2Å; M173-I176 PolarHBondContact O-N 3.39Å; I176-T178 PolarHBondContact O-N 3.43Å; I176-T178 VanDerWaalsContact O-N 3.13Å; I176-N179 PolarHBondContact O-N 3.38Å; I176-N179 VanDerWaalsContact O-N 3.12Å; I176-M190 HydrophobicContact CG2-CE 4.23Å; I176-M190 HydrophobicContact CG2-CG 4.05Å; I176-L195 HydrophobicContact CD1-CD1 3.91Å; I176-L195 HydrophobicContact CD1-CD2 4.13Å; I176-L195 HydrophobicContact CD1-CG 4.14Å; I176-L195 HydrophobicContact CG1-CD2 4.07Å; I176-L195 HydrophobicContact CG1-CG 4.46Å; I176-V595 HydrophobicContact CD1-CG1 3.94Å; I176-W610 HydrophobicContact CG1-CH2 3.8Å; I176-W610 HydrophobicContact CG1-CZ3 4.12Å
177	A	91.6	Very high	89	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-9.1	-178.8	0	0	0	0	0	114.6	M173 V182 M190 I454	M173-A177 WeakPolarHBondContact O-CB 3.32Å; M173-A177 PolarHBondContact O-N 2.98Å; A177-V182 WeakPolarHBondContact O-CG2 3.43Å; A177-M190 HydrophobicContact CB-SD 3.73Å; A177-I454 HydrophobicContact CB-CB 4.13Å; A177-I454 HydrophobicContact CB-CD1 4.46Å; A177-I454 HydrophobicContact CB-CG2 3.84Å
178	T	91.1	Very high	88.8	Confident	13 Å²	13	16.1 Å²	16.1	8%	0.08	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	1.9	174.7	55.8	0	0	0	0	113.5	S174 A175 I176 P455 F614	S174-T178 WeakPolarHBondContact O-CG2 3.4Å; S174-T178 PolarHBondContact O-N 3Å; S174-T178 PolarHBondContact O-OG1 3.43Å; A175-T178 PolarHBondContact O-N 3.43Å; A175-T178 PolarHBondContact O-OG1 3.31Å; I176-T178 PolarHBondContact O-N 3.43Å; I176-T178 VanDerWaalsContact O-N 3.13Å; T178-P455 HydrophobicContact CG2-CG 4.17Å; T178-F614 HydrophobicContact CG2-CB 4.29Å; T178-F614 WeakPolarHBondContact OG1-CB 3.43Å; T178-F614 PolarHBondContact OG1-N 3.16Å
179	N	89.1	Confident	88.4	Confident	12 Å²	12	15.3 Å²	15.3	6%	0.064	10%	0.103	C	C	.	.	S	Bend	trans	-92	116.2	173.8	-170.5	54.3	0	0	0	110.9	A175 I176 N609 W610 R611	A175-N179 PolarHBondContact O-N 2.83Å; A175-N179 VanDerWaalsContact O-N 3.14Å; I176-N179 PolarHBondContact O-N 3.38Å; I176-N179 VanDerWaalsContact O-N 3.12Å; N179-N609 PolarHBondContact ND2-O 3.11Å; N179-N609 PolarHBondContact OD1-O 3.13Å; N179-W610 HydrophobicContact CB-CE3 4.11Å; N179-W610 HydrophobicContact CB-CZ3 3.99Å; N179-R611 PolarHBondContact OD1-N 3.1Å
180	G	80.8	Confident	88.1	Confident	45 Å²	45	15.3 Å²	15.3	46%	0.464	10%	0.103	S	C	.	.	S	Bend	trans	68.4	-162	-178.5	0	0	0	0	0	114.2	Q451	G180-Q451 PolarHBondContact O-NE2 3.25Å
181	V	83.4	Confident	87.8	Confident	131 Å²	131	15.7 Å²	15.7	79%	0.794	11%	0.105	S	C	*	.	P	Polyproline II helix	trans	-83.4	132.8	172.9	-179.7	0	0	0	0	108.6	P183	V181-P183 WeakPolarHBondContact O-CD 3.47Å
182	V	81.1	Confident	87.5	Confident	23 Å²	23	14.9 Å²	14.9	14%	0.139	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-78.5	119.8	178.1	-175.9	0	0	0	0	109	A177 M190 A450 Q451 I454	A177-V182 WeakPolarHBondContact O-CG2 3.43Å; V182-M190 HydrophobicContact CG1-CG 4.24Å; V182-M190 HydrophobicContact CG1-SD 4.34Å; V182-A450 HydrophobicContact CB-CB 4.01Å; V182-A450 HydrophobicContact CG1-CB 4.02Å; V182-A450 HydrophobicContact CG2-CB 4.23Å; V182-Q451 HydrophobicContact CG2-CG 3.78Å; V182-I454 HydrophobicContact CG1-CD1 4.33Å
183	P	79.3	Confident	87.2	Confident	21 Å²	21	21.5 Å²	21.5	14%	0.136	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-73.1	144.4	178.4	29.8	-34.5	0	0	0	111.4	V181 R193 S444	V181-P183 WeakPolarHBondContact O-CD 3.47Å; P183-R193 HydrophobicContact CG-CG 4.3Å; P183-S444 WeakPolarHBondContact O-CB 3.42Å; P183-S444 PolarHBondContact O-OG 3.23Å
184	A	75.6	Confident	86.8	Confident	21 Å²	21	22.2 Å²	22.2	17%	0.174	13%	0.132	C	C	.	.	S	Bend	trans	-65.5	145.1	162.2	0	0	0	0	0	110.1	H101 A104	H101-A184 PolarHBondContact ND1-O 3.04Å; A104-A184 HydrophobicContact CB-CB 3.62Å
185	G	74.5	Confident	86.5	Confident	4 Å²	4	22.6 Å²	22.6	4%	0.041	13%	0.133	C	C	.	.	S	Bend	trans	121.4	1.5	-177.1	0	0	0	0	0	115.5	Q96 S444	Q96-G185 VanDerWaalsContact OE1-N 3.1Å; G185-S444 PolarHBondContact N-OG 2.82Å
186	G	85.3	Confident	86.2	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.01	14%	0.142	C	C	.	.			trans	88.4	-167.3	171.5	0	0	0	0	0	116.1	Y188 Y189 M190 S441 S444	G186-Y188 PolarHBondContact O-N 2.91Å; G186-Y189 PolarHBondContact O-N 3.26Å; G186-M190 PolarHBondContact O-N 3.14Å; G186-S441 CarbonylContact C-O 3.21Å; G186-S441 WeakPolarHBondContact CA-O 3.39Å; G186-S444 PolarHBondContact N-OG 3.2Å
187	S	87	Confident	85.8	Confident	5 Å²	5	26 Å²	26	4%	0.035	16%	0.159	C	C	.	.	H	α-helix	trans	-56.3	-42	-170.4	53.9	0	0	0	0	114.4	M190 I191 S441 N442	S187-M190 PolarHBondContact O-N 3.22Å; S187-I191 WeakPolarHBondContact O-CB 3.48Å; S187-I191 VanDerWaalsContact O-CG1 3.23Å; S187-I191 WeakPolarHBondContact O-CG1 3.45Å; S187-I191 PolarHBondContact O-N 3.43Å; S187-S441 VanDerWaalsContact CB-OG 3.3Å; S187-S441 WeakPolarHBondContact CB-OG 3.14Å; S187-S441 PolarHBondContact N-O 2.97Å; S187-N442 WeakPolarHBondContact CB-OD1 3.03Å; S187-N442 PolarHBondContact OG-OD1 3.29Å
188	Y	91.1	Very high	85.6	Confident	10 Å²	10	28.4 Å²	28.4	4%	0.039	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-52.7	-178.4	170.5	-99.9	0	0	0	112.5	G186 M190 I191 S192 L532 A535 I536 D539	G186-Y188 PolarHBondContact O-N 2.91Å; Y188-M190 VanDerWaalsContact C-N 3.32Å; Y188-M190 PolarHBondContact O-N 3.42Å; Y188-I191 PolarHBondContact O-N 3.44Å; Y188-I191 VanDerWaalsContact O-N 3.14Å; Y188-S192 PolarHBondContact O-N 3.28Å; Y188-S192 PolarHBondContact O-OG 2.8Å; Y188-L532 HydrophobicContact CD2-CD1 4.1Å; Y188-L532 HydrophobicContact CG-CD1 4.03Å; Y188-A535 HydrophobicContact CD1-CB 3.68Å; Y188-A535 HydrophobicContact CE1-CB 4.07Å; Y188-A535 HydrophobicContact CG-CB 4.45Å; Y188-I536 HydrophobicContact CD2-CD1 4.49Å; Y188-I536 HydrophobicContact CD2-CG1 3.84Å; Y188-I536 HydrophobicContact CE2-CD1 4.43Å; Y188-I536 HydrophobicContact CE2-CG1 3.48Å; Y188-I536 VanDerWaalsContact CE2-CG1 3.48Å; Y188-D539 WeakPolarHBondContact CE1-OD2 3.26Å; Y188-D539 VanDerWaalsContact CZ-OD2 3.29Å; Y188-D539 PolarHBondContact OH-OD2 3.07Å
189	Y	89.3	Confident	85.5	Confident	3 Å²	3	29.1 Å²	29.1	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-35.7	179.8	-73.8	-70.4	0	0	0	112.1	H101 G186 I191 R193 A535 D539	H101-Y189 HydrophobicContact CB-CD2 4.21Å; H101-Y189 HydrophobicContact CB-CE2 3.97Å; H101-Y189 AromaticContact CD2-CD1 3.59Å; H101-Y189 AromaticContact CD2-CE1 3.32Å; H101-Y189 WeakPolarHBondContact CD2-CE1 3.43Å; H101-Y189 AromaticContact CD2-CZ 3.59Å; H101-Y189 AromaticContact CE1-CD1 3.96Å; H101-Y189 AromaticContact NE2-CD1 3.46Å; H101-Y189 WeakPolarHBondContact NE2-CD1 3.24Å; H101-Y189 AromaticContact NE2-CE1 3.57Å; G186-Y189 PolarHBondContact O-N 3.26Å; Y189-I191 VanDerWaalsContact C-N 3.31Å; Y189-I191 PolarHBondContact O-N 2.81Å; Y189-R193 WeakPolarHBondContact O-CB 3.31Å; Y189-R193 WeakPolarHBondContact O-CG 3.33Å; Y189-R193 PolarHBondContact O-N 2.87Å; Y189-R193 VanDerWaalsContact O-N 3.08Å; Y189-A535 HydrophobicContact CE2-CB 3.66Å; Y189-D539 VanDerWaalsContact CE1-OD1 3.29Å; Y189-D539 WeakPolarHBondContact CE1-OD1 3.48Å
190	M	88.6	Confident	85.5	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-40.2	172.7	-173.7	-173.5	72.4	0	0	111.9	M173 I176 A177 V182 G186 S187 Y188 S194 I454	M173-M190 HydrophobicContact CG-CE 3.96Å; I176-M190 HydrophobicContact CG2-CE 4.23Å; I176-M190 HydrophobicContact CG2-CG 4.05Å; A177-M190 HydrophobicContact CB-SD 3.73Å; V182-M190 HydrophobicContact CG1-CG 4.24Å; V182-M190 HydrophobicContact CG1-SD 4.34Å; G186-M190 PolarHBondContact O-N 3.14Å; S187-M190 PolarHBondContact O-N 3.22Å; Y188-M190 VanDerWaalsContact C-N 3.32Å; Y188-M190 PolarHBondContact O-N 3.42Å; M190-S194 VanDerWaalsContact O-CB 3.31Å; M190-S194 WeakPolarHBondContact O-CB 3.39Å; M190-S194 PolarHBondContact O-N 3.09Å; M190-S194 PolarHBondContact O-OG 3.21Å; M190-I454 HydrophobicContact SD-CD1 4.16Å
191	I	90.4	Very high	85.9	Confident	7 Å²	7	26.4 Å²	26.4	4%	0.036	15%	0.147	C	C	.	.	H	α-helix	trans	-76.1	-47	179.3	-67.2	168.9	0	0	0	111.1	S187 Y188 Y189 S194 L195 V203 M438	S187-I191 WeakPolarHBondContact O-CB 3.48Å; S187-I191 VanDerWaalsContact O-CG1 3.23Å; S187-I191 WeakPolarHBondContact O-CG1 3.45Å; S187-I191 PolarHBondContact O-N 3.43Å; Y188-I191 PolarHBondContact O-N 3.44Å; Y188-I191 VanDerWaalsContact O-N 3.14Å; Y189-I191 VanDerWaalsContact C-N 3.31Å; Y189-I191 PolarHBondContact O-N 2.81Å; I191-S194 PolarHBondContact O-N 2.82Å; I191-L195 HydrophobicContact CG2-CD1 3.82Å; I191-L195 HydrophobicContact CG2-CG 4.41Å; I191-L195 WeakPolarHBondContact O-CB 3.44Å; I191-L195 PolarHBondContact O-N 3.23Å; I191-V203 HydrophobicContact CD1-CG1 4.22Å; I191-V203 HydrophobicContact CG2-CB 4.48Å; I191-V203 HydrophobicContact CG2-CG1 4.35Å; I191-M438 HydrophobicContact CD1-CE 4.03Å
192	S	89.9	Confident	86.2	Confident	9 Å²	9	20.2 Å²	20.2	6%	0.063	11%	0.11	C	C	.	.	H	α-helix	trans	-69	-35.5	-175.1	71.2	0	0	0	0	113.4	Y188 G196	Y188-S192 PolarHBondContact O-N 3.28Å; Y188-S192 PolarHBondContact O-OG 2.8Å; S192-G196 CarbonylContact O-C 3.5Å; S192-G196 VanDerWaalsContact O-C 3.24Å; S192-G196 WeakPolarHBondContact O-CA 3.5Å; S192-G196 PolarHBondContact O-N 2.87Å; S192-G196 VanDerWaalsContact O-N 3.13Å
193	R	88	Confident	86.7	Confident	139 Å²	139	19.2 Å²	19.2	53%	0.525	10%	0.104	S	C	.	.	H	α-helix	trans	-76.3	-34.6	177	-60	-61.7	-169.3	-150.5	-0.9	112.8	H101 P183 Y189	H101-R193 PolarHBondContact NE2-NH2 2.99Å; P183-R193 HydrophobicContact CG-CG 4.3Å; Y189-R193 WeakPolarHBondContact O-CB 3.31Å; Y189-R193 WeakPolarHBondContact O-CG 3.33Å; Y189-R193 PolarHBondContact O-N 2.87Å; Y189-R193 VanDerWaalsContact O-N 3.08Å
194	S	86.6	Confident	87.3	Confident	19 Å²	19	18.4 Å²	18.4	13%	0.133	10%	0.099	C	C	.	.	H	α-helix	trans	-87	-31.9	-178.7	-67.1	0	0	0	0	114.5	M190 I191	M190-S194 VanDerWaalsContact O-CB 3.31Å; M190-S194 WeakPolarHBondContact O-CB 3.39Å; M190-S194 PolarHBondContact O-N 3.09Å; M190-S194 PolarHBondContact O-OG 3.21Å; I191-S194 PolarHBondContact O-N 2.82Å
195	L	85.9	Confident	88.1	Confident	9 Å²	9	18.7 Å²	18.7	5%	0.047	10%	0.097	C	C	.	.	H	α-helix	trans	-101.5	-19.1	-179.3	-59.4	-175.2	0	0	0	114.5	I176 I191 F199 A598 Q602 W610	I176-L195 HydrophobicContact CD1-CD1 3.91Å; I176-L195 HydrophobicContact CD1-CD2 4.13Å; I176-L195 HydrophobicContact CD1-CG 4.14Å; I176-L195 HydrophobicContact CG1-CD2 4.07Å; I176-L195 HydrophobicContact CG1-CG 4.46Å; I191-L195 HydrophobicContact CG2-CD1 3.82Å; I191-L195 HydrophobicContact CG2-CG 4.41Å; I191-L195 WeakPolarHBondContact O-CB 3.44Å; I191-L195 PolarHBondContact O-N 3.23Å; L195-F199 HydrophobicContact CB-CB 3.96Å; L195-F199 HydrophobicContact CD1-CB 4.29Å; L195-A598 HydrophobicContact CD1-CB 3.76Å; L195-A598 HydrophobicContact CD2-CB 4.18Å; L195-Q602 VanDerWaalsContact CD2-OE1 3.27Å; L195-Q602 PolarHBondContact O-NE2 3.45Å; L195-W610 HydrophobicContact CD2-CE3 4.47Å; L195-W610 HydrophobicContact CD2-CH2 4.25Å; L195-W610 HydrophobicContact CD2-CZ3 3.87Å
196	G	87	Confident	88.8	Confident	17 Å²	17	18.9 Å²	18.9	18%	0.175	10%	0.098	C	C	.	.			trans	104.2	156.8	-170.7	0	0	0	0	0	113.3	S192 E198 G200	S192-G196 CarbonylContact O-C 3.5Å; S192-G196 VanDerWaalsContact O-C 3.24Å; S192-G196 WeakPolarHBondContact O-CA 3.5Å; S192-G196 PolarHBondContact O-N 2.87Å; S192-G196 VanDerWaalsContact O-N 3.13Å; G196-E198 VanDerWaalsContact C-N 3.29Å; G196-E198 PolarHBondContact O-N 3Å; G196-G200 PolarHBondContact O-N 2.85Å
197	P	85.9	Confident	89.2	Confident	56 Å²	56	20 Å²	20	36%	0.364	10%	0.103	S	C	.	.	H	α-helix	trans	-68	-24.4	-173.4	28.1	-35.2	0	0	0	113.9	G201 I541	P197-G201 PolarHBondContact O-N 3.46Å; P197-I541 HydrophobicContact CB-CG2 3.93Å
198	E	87.9	Confident	89.5	Confident	50 Å²	50	20.1 Å²	20.1	23%	0.234	10%	0.102	C	C	.	.	H	α-helix	trans	-69.5	-50.5	-179.7	-47.3	75.8	-169.2	0	0	110.3	G196 A202 Y652 E656	G196-E198 VanDerWaalsContact C-N 3.29Å; G196-E198 PolarHBondContact O-N 3Å; E198-A202 WeakPolarHBondContact O-CB 3.41Å; E198-A202 PolarHBondContact O-N 2.93Å; E198-A202 VanDerWaalsContact O-N 3.16Å; E198-Y652 HydrophobicContact CB-CD2 3.99Å; E198-Y652 HydrophobicContact CB-CE2 3.55Å; E198-E656 HydrophobicContact CG-CB 4.27Å; E198-E656 HydrophobicContact CG-CG 4.43Å
199	F	88.1	Confident	89.6	Confident	28 Å²	28	22.1 Å²	22.1	12%	0.123	11%	0.114	C	C	.	.	H	α-helix	trans	-68.5	-44.5	172.8	-73.9	-72.8	0	0	0	111.4	L195 G201 A202 V203 A598 Y652	L195-F199 HydrophobicContact CB-CB 3.96Å; L195-F199 HydrophobicContact CD1-CB 4.29Å; F199-G201 PolarHBondContact O-N 2.92Å; F199-A202 PolarHBondContact O-N 2.69Å; F199-V203 VanDerWaalsContact O-CB 3.24Å; F199-V203 WeakPolarHBondContact O-CB 3.44Å; F199-V203 WeakPolarHBondContact O-CG2 3.32Å; F199-V203 PolarHBondContact O-N 3.04Å; F199-A598 HydrophobicContact CD1-CB 3.8Å; F199-A598 HydrophobicContact CD2-CB 4.45Å; F199-A598 HydrophobicContact CE1-CB 3.94Å; F199-A598 HydrophobicContact CG-CB 4.07Å; F199-A598 HydrophobicContact CZ-CB 4.33Å; F199-Y652 HydrophobicContact CD1-CE2 4.01Å; F199-Y652 HydrophobicContact CD2-CE2 4.1Å; F199-Y652 AromaticContact CE1-CE2 3.89Å; F199-Y652 HydrophobicContact CE1-CE2 3.89Å; F199-Y652 AromaticContact CE2-CE2 3.97Å; F199-Y652 HydrophobicContact CE2-CE2 3.97Å; F199-Y652 HydrophobicContact CG-CE2 4.12Å; F199-Y652 AromaticContact CZ-CE2 3.86Å; F199-Y652 HydrophobicContact CZ-CE2 3.86Å
200	G	88.9	Confident	89.8	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57	-45.8	178.5	0	0	0	0	0	113.1	G196 G204	G196-G200 PolarHBondContact O-N 2.85Å; G200-G204 WeakPolarHBondContact O-CA 3.38Å; G200-G204 PolarHBondContact O-N 3.39Å
201	G	89.3	Confident	90	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.7	-45.7	178.1	0	0	0	0	0	113.7	P197 F199 G204 L205	P197-G201 PolarHBondContact O-N 3.46Å; F199-G201 PolarHBondContact O-N 2.92Å; G201-G204 PolarHBondContact O-N 2.9Å; G201-L205 WeakPolarHBondContact O-CB 3.34Å; G201-L205 WeakPolarHBondContact O-CG 3.31Å; G201-L205 PolarHBondContact O-N 2.56Å
202	A	90	Very high	90.2	Very high	2 Å²	2	22.5 Å²	22.5	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-63.7	-47.5	178.1	0	0	0	0	0	111.9	E198 F199 C206 I651	E198-A202 WeakPolarHBondContact O-CB 3.41Å; E198-A202 PolarHBondContact O-N 2.93Å; E198-A202 VanDerWaalsContact O-N 3.16Å; F199-A202 PolarHBondContact O-N 2.69Å; A202-C206 PolarHBondContact O-N 2.92Å; A202-C206 VanDerWaalsContact O-N 3.17Å; A202-C206 PolarHBondContact O-SG 2.88Å; A202-I651 HydrophobicContact CB-CG2 4.44Å
203	V	91.9	Very high	90.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175.8	172.8	0	0	0	0	110.7	I191 F199 L205 C206 F207 M438 F594 V595	I191-V203 HydrophobicContact CD1-CG1 4.22Å; I191-V203 HydrophobicContact CG2-CB 4.48Å; I191-V203 HydrophobicContact CG2-CG1 4.35Å; F199-V203 VanDerWaalsContact O-CB 3.24Å; F199-V203 WeakPolarHBondContact O-CB 3.44Å; F199-V203 WeakPolarHBondContact O-CG2 3.32Å; F199-V203 PolarHBondContact O-N 3.04Å; V203-L205 PolarHBondContact O-N 2.67Å; V203-C206 PolarHBondContact O-N 3.29Å; V203-F207 WeakPolarHBondContact O-CB 3.45Å; V203-F207 PolarHBondContact O-N 3.4Å; V203-M438 HydrophobicContact CG1-CE 4.46Å; V203-F594 HydrophobicContact CG2-CB 3.67Å; V203-V595 HydrophobicContact CG1-CG2 3.9Å; V203-V595 HydrophobicContact CG2-CG2 4.23Å
204	G	91.8	Very high	90.7	Very high	4 Å²	4	16.7 Å²	16.7	4%	0.041	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-43.1	179.5	0	0	0	0	0	113.4	G200 G201 F207 Y208 I536	G200-G204 WeakPolarHBondContact O-CA 3.38Å; G200-G204 PolarHBondContact O-N 3.39Å; G201-G204 PolarHBondContact O-N 2.9Å; G204-F207 PolarHBondContact O-N 2.92Å; G204-Y208 WeakPolarHBondContact O-CB 3.36Å; G204-Y208 PolarHBondContact O-N 3.48Å; G204-I536 VanDerWaalsContact C-CD1 3.48Å
205	L	91.8	Very high	91	Very high	26 Å²	26	15.9 Å²	15.9	14%	0.136	9%	0.089	C	C	.	.	H	α-helix	trans	-68.4	-37.3	177.3	-72.4	169.8	0	0	0	112.4	G201 V203 Y208 L209 I536 L545 I651	G201-L205 WeakPolarHBondContact O-CB 3.34Å; G201-L205 WeakPolarHBondContact O-CG 3.31Å; G201-L205 PolarHBondContact O-N 2.56Å; V203-L205 PolarHBondContact O-N 2.67Å; L205-Y208 PolarHBondContact O-N 3.34Å; L205-L209 WeakPolarHBondContact O-CG 3.47Å; L205-L209 PolarHBondContact O-N 2.87Å; L205-L209 VanDerWaalsContact O-N 3.13Å; L205-I536 HydrophobicContact CD2-CD1 4.34Å; L205-I536 HydrophobicContact CD2-CG2 4.2Å; L205-I536 HydrophobicContact CG-CD1 4.47Å; L205-L545 HydrophobicContact CD2-CD1 3.84Å; L205-I651 HydrophobicContact CD1-CG2 3.81Å
206	C	91.1	Very high	91.5	Very high	8 Å²	8	15.4 Å²	15.4	5%	0.054	9%	0.087	C	C	.	.	H	α-helix	trans	-67.5	-42.2	174.5	-61.5	0	0	0	0	111.6	A202 V203 Y208 L209 G210 M590 C591	A202-C206 PolarHBondContact O-N 2.92Å; A202-C206 VanDerWaalsContact O-N 3.17Å; A202-C206 PolarHBondContact O-SG 2.88Å; V203-C206 PolarHBondContact O-N 3.29Å; C206-Y208 VanDerWaalsContact C-N 3.34Å; C206-Y208 PolarHBondContact O-N 3Å; C206-L209 PolarHBondContact O-N 2.87Å; C206-G210 PolarHBondContact O-N 3.44Å; C206-M590 HydrophobicContact CB-SD 4.47Å; C206-M590 PolarHBondContact SG-SD 2.91Å; C206-C591 HydrophobicContact CB-CB 4.29Å
207	F	92.4	Very high	91.8	Very high	24 Å²	24	14.7 Å²	14.7	11%	0.105	8%	0.079	C	C	.	.	H	α-helix	trans	-66.1	-34.3	175.9	-176.8	-140.3	0	0	0	112.3	V203 G204 T211 M438 L532 F588	V203-F207 WeakPolarHBondContact O-CB 3.45Å; V203-F207 PolarHBondContact O-N 3.4Å; G204-F207 PolarHBondContact O-N 2.92Å; F207-T211 WeakPolarHBondContact CE2-OG1 3.08Å; F207-T211 VanDerWaalsContact O-CB 3.29Å; F207-T211 WeakPolarHBondContact O-CB 3.44Å; F207-T211 PolarHBondContact O-N 2.82Å; F207-T211 PolarHBondContact O-OG1 3.32Å; F207-M438 HydrophobicContact CD1-SD 4.01Å; F207-M438 HydrophobicContact CD2-SD 4.02Å; F207-M438 HydrophobicContact CE1-CB 4.31Å; F207-M438 HydrophobicContact CE1-SD 4.03Å; F207-M438 HydrophobicContact CE2-CB 4.29Å; F207-M438 HydrophobicContact CE2-SD 4.04Å; F207-M438 HydrophobicContact CG-SD 4.02Å; F207-M438 HydrophobicContact CZ-CB 3.83Å; F207-M438 HydrophobicContact CZ-SD 4.05Å; F207-L532 HydrophobicContact CB-CD2 4.12Å; F207-L532 HydrophobicContact CD1-CD1 4.36Å; F207-L532 HydrophobicContact CD1-CD2 3.41Å; F207-L532 VanDerWaalsContact CD1-CD2 3.41Å; F207-L532 HydrophobicContact CE1-CD2 4.01Å; F207-L532 HydrophobicContact CG-CD2 3.92Å; F207-F588 AromaticContact CD2-CE1 3.79Å; F207-F588 HydrophobicContact CD2-CE1 3.79Å; F207-F588 HydrophobicContact CD2-CZ 4.46Å; F207-F588 AromaticContact CE2-CE1 3.87Å; F207-F588 HydrophobicContact CE2-CE1 3.87Å; F207-F588 HydrophobicContact CE2-CZ 4.48Å
208	Y	94.1	Very high	92.3	Very high	8 Å²	8	12.9 Å²	12.9	3%	0.031	7%	0.065	C	C	.	.	H	α-helix	trans	-60.8	-52.2	171.6	170.4	-109.5	0	0	0	111.9	G204 L205 C206 T211 T212 A529 L533 T564 I567	G204-Y208 WeakPolarHBondContact O-CB 3.36Å; G204-Y208 PolarHBondContact O-N 3.48Å; L205-Y208 PolarHBondContact O-N 3.34Å; C206-Y208 VanDerWaalsContact C-N 3.34Å; C206-Y208 PolarHBondContact O-N 3Å; Y208-T211 PolarHBondContact O-N 3.02Å; Y208-T212 WeakPolarHBondContact O-CB 3.3Å; Y208-T212 PolarHBondContact O-N 2.9Å; Y208-T212 PolarHBondContact O-OG1 2.93Å; Y208-A529 HydrophobicContact CD2-CB 3.81Å; Y208-A529 WeakPolarHBondContact CD2-O 3.44Å; Y208-A529 HydrophobicContact CE2-CB 3.8Å; Y208-A529 WeakPolarHBondContact CE2-O 3.49Å; Y208-L533 HydrophobicContact CD2-CB 3.9Å; Y208-L533 HydrophobicContact CE1-CD2 4.17Å; Y208-L533 HydrophobicContact CE2-CB 3.86Å; Y208-L533 HydrophobicContact CE2-CD2 4.08Å; Y208-L533 HydrophobicContact CG-CB 4.44Å; Y208-T564 WeakPolarHBondContact CE2-OG1 3.43Å; Y208-T564 WeakPolarHBondContact OH-CA 3.46Å; Y208-T564 PolarHBondContact OH-N 3.27Å; Y208-T564 PolarHBondContact OH-OG1 3.22Å; Y208-I567 HydrophobicContact CE1-CD1 4.16Å
209	L	92.9	Very high	92.6	Very high	53 Å²	53	10.6 Å²	10.6	28%	0.277	5%	0.054	S	C	.	.	H	α-helix	trans	-62.9	-46.5	179.3	-68.1	174.2	0	0	0	111.5	L205 C206 T211 T212 F213 I567 F587	L205-L209 WeakPolarHBondContact O-CG 3.47Å; L205-L209 PolarHBondContact O-N 2.87Å; L205-L209 VanDerWaalsContact O-N 3.13Å; C206-L209 PolarHBondContact O-N 2.87Å; L209-T211 PolarHBondContact O-N 2.93Å; L209-T212 PolarHBondContact O-N 3.49Å; L209-T212 VanDerWaalsContact O-N 3.14Å; L209-F213 WeakPolarHBondContact O-CD2 3.18Å; L209-F213 PolarHBondContact O-N 3.3Å; L209-I567 HydrophobicContact CD2-CD1 4.44Å; L209-F587 HydrophobicContact CB-CD1 3.85Å; L209-F587 HydrophobicContact CB-CD2 4.32Å; L209-F587 HydrophobicContact CB-CE1 3.9Å; L209-F587 HydrophobicContact CB-CE2 4.35Å; L209-F587 HydrophobicContact CB-CG 4.08Å; L209-F587 HydrophobicContact CB-CZ 4.16Å; L209-F587 HydrophobicContact CD1-CD1 4.18Å; L209-F587 HydrophobicContact CD1-CE1 3.61Å; L209-F587 HydrophobicContact CD1-CZ 4.11Å; L209-F587 HydrophobicContact CG-CE1 4.4Å
210	G	92.7	Very high	92.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.5	-46.5	176.2	0	0	0	0	0	113.1	C206 T212 F213 A214 F588	C206-G210 PolarHBondContact O-N 3.44Å; G210-T212 VanDerWaalsContact C-N 3.3Å; G210-T212 PolarHBondContact O-N 2.8Å; G210-F213 PolarHBondContact O-N 3.47Å; G210-A214 WeakPolarHBondContact O-CB 3.35Å; G210-A214 PolarHBondContact O-N 2.83Å; G210-F588 WeakPolarHBondContact O-CE2 3.39Å
211	T	93.3	Very high	93.2	Very high	17 Å²	17	9.4 Å²	9.4	10%	0.104	5%	0.049	C	C	.	.	H	α-helix	trans	-66.5	-31.4	177.4	-53	0	0	0	0	112.1	F207 Y208 L209 A214 G215 A529	F207-T211 WeakPolarHBondContact CE2-OG1 3.08Å; F207-T211 VanDerWaalsContact O-CB 3.29Å; F207-T211 WeakPolarHBondContact O-CB 3.44Å; F207-T211 PolarHBondContact O-N 2.82Å; F207-T211 PolarHBondContact O-OG1 3.32Å; Y208-T211 PolarHBondContact O-N 3.02Å; L209-T211 PolarHBondContact O-N 2.93Å; T211-A214 WeakPolarHBondContact O-CB 3.46Å; T211-A214 PolarHBondContact O-N 2.9Å; T211-G215 PolarHBondContact O-N 2.93Å; T211-G215 VanDerWaalsContact O-N 3.14Å; T211-A529 HydrophobicContact CG2-CB 4.03Å
212	T	95.1	Very high	93.4	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.006	5%	0.05	C	C	.	.	H	α-helix	trans	-71.4	-45.8	177.7	-53.7	0	0	0	0	111.4	Y208 L209 G210 A214 G215 A216 T564 I567 C568	Y208-T212 WeakPolarHBondContact O-CB 3.3Å; Y208-T212 PolarHBondContact O-N 2.9Å; Y208-T212 PolarHBondContact O-OG1 2.93Å; L209-T212 PolarHBondContact O-N 3.49Å; L209-T212 VanDerWaalsContact O-N 3.14Å; G210-T212 VanDerWaalsContact C-N 3.3Å; G210-T212 PolarHBondContact O-N 2.8Å; T212-A214 PolarHBondContact O-N 3.41Å; T212-G215 PolarHBondContact O-N 3.08Å; T212-G215 VanDerWaalsContact O-N 3.12Å; T212-A216 PolarHBondContact O-N 2.92Å; T212-T564 HydrophobicContact CG2-CG2 3.71Å; T212-T564 WeakPolarHBondContact CG2-O 3.27Å; T212-I567 HydrophobicContact CG2-CB 3.69Å; T212-I567 HydrophobicContact CG2-CG2 3.55Å; T212-C568 PolarHBondContact O-SG 2.77Å
213	F	94.6	Very high	93.6	Very high	23 Å²	23	9.5 Å²	9.5	10%	0.101	5%	0.05	C	C	.	.	H	α-helix	trans	-64.7	-26.8	171.3	-76.7	-71.9	0	0	0	112.8	L209 G210 A216 M217 I567 I583 L584 F587	L209-F213 WeakPolarHBondContact O-CD2 3.18Å; L209-F213 PolarHBondContact O-N 3.3Å; G210-F213 PolarHBondContact O-N 3.47Å; F213-A216 PolarHBondContact O-N 3.03Å; F213-M217 WeakPolarHBondContact O-CB 3.17Å; F213-M217 PolarHBondContact O-N 2.91Å; F213-I567 HydrophobicContact CE2-CG2 4.28Å; F213-I567 HydrophobicContact CZ-CG2 4.28Å; F213-I583 HydrophobicContact CD2-CG2 4.47Å; F213-I583 HydrophobicContact CE1-CG2 4.5Å; F213-I583 HydrophobicContact CE2-CG2 4.47Å; F213-I583 HydrophobicContact CZ-CG2 4.48Å; F213-L584 HydrophobicContact CB-CB 4.34Å; F213-F587 HydrophobicContact CD2-CD2 4Å; F213-F587 AromaticContact CD2-CE2 3.66Å; F213-F587 HydrophobicContact CD2-CE2 3.66Å; F213-F587 HydrophobicContact CE2-CD2 4.44Å; F213-F587 AromaticContact CE2-CE2 3.65Å; F213-F587 HydrophobicContact CE2-CE2 3.65Å; F213-F587 HydrophobicContact CE2-CZ 4.28Å
214	A	93.8	Very high	93.6	Very high	4 Å²	4	10 Å²	10	3%	0.033	5%	0.052	C	C	.	.	H	α-helix	trans	-63.5	-41.6	170.9	0	0	0	0	0	111.8	G210 T211 T212 A216 M217 Y218 L584	G210-A214 WeakPolarHBondContact O-CB 3.35Å; G210-A214 PolarHBondContact O-N 2.83Å; T211-A214 WeakPolarHBondContact O-CB 3.46Å; T211-A214 PolarHBondContact O-N 2.9Å; T212-A214 PolarHBondContact O-N 3.41Å; A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 2.88Å; A214-M217 PolarHBondContact O-N 3.26Å; A214-Y218 HydrophobicContact CB-CD2 4.37Å; A214-Y218 HydrophobicContact CB-CE2 3.95Å; A214-Y218 WeakPolarHBondContact O-CD2 3.47Å; A214-Y218 PolarHBondContact O-N 3.04Å; A214-L584 HydrophobicContact CB-CD1 3.65Å
215	G	93.6	Very high	93.6	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-54.7	-48.1	172	0	0	0	0	0	112.5	T211 T212 I219	T211-G215 PolarHBondContact O-N 2.93Å; T211-G215 VanDerWaalsContact O-N 3.14Å; T212-G215 PolarHBondContact O-N 3.08Å; T212-G215 VanDerWaalsContact O-N 3.12Å; G215-I219 WeakPolarHBondContact O-CD1 3.33Å; G215-I219 VanDerWaalsContact O-CG1 3.26Å; G215-I219 WeakPolarHBondContact O-CG1 3.22Å; G215-I219 PolarHBondContact O-N 3.24Å
216	A	95.2	Very high	93.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.7	-46.3	176	0	0	0	0	0	112.7	T212 F213 A214 Y218 I219 L220 C568 I572	T212-A216 PolarHBondContact O-N 2.92Å; F213-A216 PolarHBondContact O-N 3.03Å; A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 2.88Å; A216-Y218 PolarHBondContact O-N 3.05Å; A216-I219 PolarHBondContact O-N 3.47Å; A216-L220 WeakPolarHBondContact O-CG 3.47Å; A216-L220 PolarHBondContact O-N 2.98Å; A216-C568 WeakPolarHBondContact CB-O 3.41Å; A216-I572 HydrophobicContact CB-CG1 4.24Å
217	M	94.6	Very high	93.6	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-59.2	-44.3	178.6	-176.2	-174.3	174.8	0	0	112.3	V137 I138 F213 A214 G221 P432 L577 V580 A581 L584	V137-M217 HydrophobicContact CG1-CE 4.08Å; I138-M217 HydrophobicContact CD1-CE 3.53Å; I138-M217 HydrophobicContact CG1-CE 3.62Å; F213-M217 WeakPolarHBondContact O-CB 3.17Å; F213-M217 PolarHBondContact O-N 2.91Å; A214-M217 PolarHBondContact O-N 3.26Å; M217-G221 PolarHBondContact O-N 3.26Å; M217-P432 HydrophobicContact CE-CB 3.95Å; M217-P432 HydrophobicContact CE-CG 4.1Å; M217-P432 HydrophobicContact SD-CB 3.98Å; M217-P432 HydrophobicContact SD-CG 4.2Å; M217-L577 HydrophobicContact CE-CD2 4.16Å; M217-L577 HydrophobicContact CG-CG 4.35Å; M217-V580 HydrophobicContact CB-CG1 4.11Å; M217-A581 HydrophobicContact CE-CB 3.89Å; M217-A581 HydrophobicContact SD-CB 4.23Å; M217-L584 HydrophobicContact CB-CD1 4.43Å; M217-L584 HydrophobicContact SD-CD1 3.9Å
218	Y	94.8	Very high	93.3	Very high	18 Å²	18	10.2 Å²	10.2	7%	0.071	6%	0.056	C	C	.	.	H	α-helix	trans	-69.1	-37	176.4	-63.2	-45.5	0	0	0	112.1	V137 A214 A216 G221 T222 T518 A521	V137-Y218 HydrophobicContact CB-CD1 4.46Å; V137-Y218 HydrophobicContact CG1-CD1 4.15Å; V137-Y218 HydrophobicContact CG1-CE1 4.38Å; A214-Y218 HydrophobicContact CB-CD2 4.37Å; A214-Y218 HydrophobicContact CB-CE2 3.95Å; A214-Y218 WeakPolarHBondContact O-CD2 3.47Å; A214-Y218 PolarHBondContact O-N 3.04Å; A216-Y218 PolarHBondContact O-N 3.05Å; Y218-G221 PolarHBondContact O-N 3.3Å; Y218-T222 WeakPolarHBondContact O-CB 3.42Å; Y218-T222 PolarHBondContact O-N 2.95Å; Y218-T222 PolarHBondContact O-OG1 3.32Å; Y218-T518 HydrophobicContact CD1-CG2 4.08Å; Y218-T518 HydrophobicContact CG-CG2 4.43Å; Y218-T518 WeakPolarHBondContact O-CG2 3.22Å; Y218-A521 HydrophobicContact CD1-CB 4.07Å; Y218-A521 HydrophobicContact CD2-CB 3.66Å; Y218-A521 HydrophobicContact CE1-CB 4.14Å; Y218-A521 HydrophobicContact CE2-CB 3.74Å; Y218-A521 HydrophobicContact CG-CB 3.85Å
219	I	95.2	Very high	93.1	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.01	6%	0.058	C	C	.	.	H	α-helix	trans	-63	-49.8	174.5	-70.3	164.9	0	0	0	110.3	G215 A216 G221 T222 I223 V260 L261 M264 I572	G215-I219 WeakPolarHBondContact O-CD1 3.33Å; G215-I219 VanDerWaalsContact O-CG1 3.26Å; G215-I219 WeakPolarHBondContact O-CG1 3.22Å; G215-I219 PolarHBondContact O-N 3.24Å; A216-I219 PolarHBondContact O-N 3.47Å; I219-G221 VanDerWaalsContact C-N 3.34Å; I219-G221 PolarHBondContact O-N 3.44Å; I219-T222 WeakPolarHBondContact O-CA 3.43Å; I219-T222 WeakPolarHBondContact O-CB 3.47Å; I219-T222 PolarHBondContact O-N 2.86Å; I219-I223 WeakPolarHBondContact O-CG1 3.32Å; I219-I223 PolarHBondContact O-N 2.96Å; I219-V260 HydrophobicContact CG2-CB 4.31Å; I219-V260 HydrophobicContact CG2-CG1 4.11Å; I219-L261 HydrophobicContact CD1-CB 4Å; I219-L261 HydrophobicContact CD1-CD1 3.7Å; I219-L261 HydrophobicContact CD1-CG 4.41Å; I219-M264 HydrophobicContact CD1-SD 3.94Å; I219-M264 HydrophobicContact CG1-CE 4.36Å; I219-M264 HydrophobicContact CG1-SD 3.72Å; I219-I572 HydrophobicContact CB-CD1 4.21Å; I219-I572 HydrophobicContact CD1-CD1 4.27Å; I219-I572 HydrophobicContact CG2-CD1 3.71Å; I219-I572 HydrophobicContact CG2-CG1 4.41Å
220	L	94.8	Very high	92.9	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.016	6%	0.056	C	C	.	.	H	α-helix	trans	-55.7	-46.5	175.8	-71.6	175.7	0	0	0	112	A216 T222 I223 E224 M253 I572 V580	A216-L220 WeakPolarHBondContact O-CG 3.47Å; A216-L220 PolarHBondContact O-N 2.98Å; L220-T222 VanDerWaalsContact C-N 3.28Å; L220-T222 PolarHBondContact O-N 3.28Å; L220-I223 PolarHBondContact O-N 3.49Å; L220-I223 VanDerWaalsContact O-N 3.12Å; L220-E224 PolarHBondContact O-N 3.15Å; L220-M253 HydrophobicContact CD2-CB 4.45Å; L220-I572 HydrophobicContact CD2-CG2 4.37Å; L220-V580 HydrophobicContact CD1-CG2 4.02Å
221	G	93.5	Very high	92.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.7	-31.5	175.8	0	0	0	0	0	113.9	M217 Y218 I219 E224 I225	M217-G221 PolarHBondContact O-N 3.26Å; Y218-G221 PolarHBondContact O-N 3.3Å; I219-G221 VanDerWaalsContact C-N 3.34Å; I219-G221 PolarHBondContact O-N 3.44Å; G221-E224 PolarHBondContact O-N 2.83Å; G221-I225 WeakPolarHBondContact O-CD1 3.46Å; G221-I225 VanDerWaalsContact O-CG1 3.28Å; G221-I225 WeakPolarHBondContact O-CG1 3.39Å; G221-I225 PolarHBondContact O-N 3.29Å; G221-I225 VanDerWaalsContact O-N 3.11Å
222	T	93.6	Very high	92.2	Very high	4 Å²	4	18.9 Å²	18.9	3%	0.025	10%	0.101	C	C	.	.	H	α-helix	trans	-69.8	-36.7	174	-53.8	0	0	0	0	111.4	Y218 I219 L220 L226 F515 T518 C519	Y218-T222 WeakPolarHBondContact O-CB 3.42Å; Y218-T222 PolarHBondContact O-N 2.95Å; Y218-T222 PolarHBondContact O-OG1 3.32Å; I219-T222 WeakPolarHBondContact O-CA 3.43Å; I219-T222 WeakPolarHBondContact O-CB 3.47Å; I219-T222 PolarHBondContact O-N 2.86Å; L220-T222 VanDerWaalsContact C-N 3.28Å; L220-T222 PolarHBondContact O-N 3.28Å; T222-L226 WeakPolarHBondContact O-CB 3.49Å; T222-L226 PolarHBondContact O-N 3.05Å; T222-L226 VanDerWaalsContact O-N 3.1Å; T222-F515 HydrophobicContact CG2-CD2 3.85Å; T222-F515 HydrophobicContact CG2-CE2 3.55Å; T222-F515 HydrophobicContact CG2-CZ 4.21Å; T222-T518 WeakPolarHBondContact OG1-CG2 3.28Å; T222-C519 HydrophobicContact CG2-CB 4.21Å; T222-C519 PolarHBondContact OG1-N 3.49Å
223	I	94.3	Very high	91.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-71.5	-38.7	173.8	-52	-45.6	0	0	0	111.2	I219 L220 I225 L226 L227 M253 Y256 V260	I219-I223 WeakPolarHBondContact O-CG1 3.32Å; I219-I223 PolarHBondContact O-N 2.96Å; L220-I223 PolarHBondContact O-N 3.49Å; L220-I223 VanDerWaalsContact O-N 3.12Å; I223-I225 VanDerWaalsContact C-N 3.31Å; I223-I225 PolarHBondContact O-N 3.37Å; I223-L226 PolarHBondContact O-N 3.04Å; I223-L226 VanDerWaalsContact O-N 3.14Å; I223-L227 HydrophobicContact CG2-CD1 3.63Å; I223-L227 HydrophobicContact CG2-CG 3.91Å; I223-L227 PolarHBondContact O-N 3.13Å; I223-M253 HydrophobicContact CB-SD 3.95Å; I223-M253 HydrophobicContact CG2-SD 3.55Å; I223-M253 VanDerWaalsContact CG2-SD 3.55Å; I223-Y256 HydrophobicContact CG2-CG 4.46Å; I223-V260 HydrophobicContact CD1-CB 3.97Å; I223-V260 HydrophobicContact CD1-CG1 4.47Å; I223-V260 HydrophobicContact CD1-CG2 3.57Å
224	E	92	Very high	91.2	Very high	11 Å²	11	25.5 Å²	25.5	5%	0.051	15%	0.147	C	C	.	.	H	α-helix	trans	-57.5	-45.9	175.1	-163.5	-177.2	124.7	0	0	110.7	L141 R142 L220 G221 L226 A228 M253	L141-E224 HydrophobicContact CD2-CB 4.17Å; L141-E224 HydrophobicContact CD2-CG 4.27Å; L141-E224 WeakPolarHBondContact CD2-OE1 3.47Å; R142-E224 IonicContact CZ-OE1 3.5Å; R142-E224 IonicContact CZ-OE2 3.86Å; R142-E224 IonicContact NH1-OE1 2.67Å; R142-E224 PolarHBondContact NH1-OE1 2.83Å; R142-E224 IonicContact NH1-OE2 2.78Å; R142-E224 IonicContact NH2-OE1 3.9Å; R142-E224 PolarHBondContact NH2-OE1 3.04Å; R142-E224 IonicContact NH2-OE2 3.45Å; R142-E224 PolarHBondContact NH2-OE2 3.31Å; L220-E224 PolarHBondContact O-N 3.15Å; G221-E224 PolarHBondContact O-N 2.83Å; E224-L226 PolarHBondContact O-N 3.12Å; E224-A228 WeakPolarHBondContact O-CB 3.47Å; E224-A228 PolarHBondContact O-N 2.88Å; E224-M253 HydrophobicContact CB-CE 4.27Å; E224-M253 HydrophobicContact CG-CE 4.29Å
225	I	92.6	Very high	90.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-42.1	175.2	-62.1	160.8	0	0	0	111.9	L141 G221 I223 Y229 L230 V511 F515	L141-I225 HydrophobicContact CD1-CD1 3.86Å; L141-I225 HydrophobicContact CD1-CG1 3.77Å; L141-I225 HydrophobicContact CD2-CD1 4.36Å; L141-I225 HydrophobicContact CD2-CG1 3.88Å; L141-I225 HydrophobicContact CG-CG1 4.37Å; G221-I225 WeakPolarHBondContact O-CD1 3.46Å; G221-I225 VanDerWaalsContact O-CG1 3.28Å; G221-I225 WeakPolarHBondContact O-CG1 3.39Å; G221-I225 PolarHBondContact O-N 3.29Å; G221-I225 VanDerWaalsContact O-N 3.11Å; I223-I225 VanDerWaalsContact C-N 3.31Å; I223-I225 PolarHBondContact O-N 3.37Å; I225-Y229 PolarHBondContact O-N 3.36Å; I225-Y229 VanDerWaalsContact O-N 3.13Å; I225-L230 HydrophobicContact CG2-CD1 3.66Å; I225-L230 WeakPolarHBondContact O-CD1 3.41Å; I225-L230 PolarHBondContact O-N 3.25Å; I225-V511 HydrophobicContact CG2-CG1 4.3Å; I225-F515 HydrophobicContact CB-CD2 4.47Å; I225-F515 HydrophobicContact CG2-CB 3.93Å; I225-F515 HydrophobicContact CG2-CD2 4.22Å
226	L	92.2	Very high	90.4	Very high	27 Å²	27	31.2 Å²	31.2	14%	0.141	18%	0.179	C	C	.	.	I	π-helix	trans	-64.8	-45.7	-178.2	-176.5	65.7	0	0	0	112.7	T222 I223 E224 L230 F231 M234 F515	T222-L226 WeakPolarHBondContact O-CB 3.49Å; T222-L226 PolarHBondContact O-N 3.05Å; T222-L226 VanDerWaalsContact O-N 3.1Å; I223-L226 PolarHBondContact O-N 3.04Å; I223-L226 VanDerWaalsContact O-N 3.14Å; E224-L226 PolarHBondContact O-N 3.12Å; L226-L230 HydrophobicContact CD1-CB 4.42Å; L226-F231 HydrophobicContact CD1-CD2 3.99Å; L226-F231 PolarHBondContact O-N 2.96Å; L226-M234 HydrophobicContact CD1-CE 4.33Å; L226-M234 HydrophobicContact CG-CE 4.39Å; L226-F515 HydrophobicContact CB-CE2 4.32Å; L226-F515 HydrophobicContact CD1-CE2 4.31Å
227	L	90.6	Very high	90	Very high	15 Å²	15	35.6 Å²	35.6	8%	0.079	20%	0.199	C	C	.	.	I	π-helix	trans	-84.3	-38.5	-175	-65.8	-178.2	0	0	0	112.9	I223 P232 N252 M253 Y256	I223-L227 HydrophobicContact CG2-CD1 3.63Å; I223-L227 HydrophobicContact CG2-CG 3.91Å; I223-L227 PolarHBondContact O-N 3.13Å; L227-P232 WeakPolarHBondContact O-CA 3.42Å; L227-P232 WeakPolarHBondContact O-CB 3.25Å; L227-N252 HydrophobicContact CD1-CB 3.83Å; L227-M253 HydrophobicContact CD1-CE 4.27Å; L227-M253 HydrophobicContact CD1-SD 4.14Å; L227-Y256 HydrophobicContact CD1-CD2 4.09Å; L227-Y256 HydrophobicContact CD2-CD2 4.09Å; L227-Y256 HydrophobicContact CD2-CE2 4.03Å
228	A	86.3	Confident	89.2	Confident	26 Å²	26	42.3 Å²	42.3	22%	0.215	23%	0.228	C	C	.	.	I	π-helix	trans	-77.5	-46.2	179.6	0	0	0	0	0	112.3	E224	E224-A228 WeakPolarHBondContact O-CB 3.47Å; E224-A228 PolarHBondContact O-N 2.88Å
229	Y	89.6	Confident	88.1	Confident	19 Å²	19	43.5 Å²	43.5	8%	0.075	24%	0.241	C	C	.	.	I	π-helix	trans	-113.8	-23.7	-162.6	-52.9	-59.1	0	0	0	115.7	I225 F489 G495 L497	I225-Y229 PolarHBondContact O-N 3.36Å; I225-Y229 VanDerWaalsContact O-N 3.13Å; Y229-F489 WeakPolarHBondContact CE1-O 3.25Å; Y229-G495 WeakPolarHBondContact CD1-O 3.33Å; Y229-L497 HydrophobicContact CD1-CB 3.92Å; Y229-L497 HydrophobicContact CD2-CB 4.17Å; Y229-L497 HydrophobicContact CD2-CD1 3.75Å; Y229-L497 HydrophobicContact CD2-CG 4.24Å; Y229-L497 HydrophobicContact CE1-CB 3.79Å; Y229-L497 HydrophobicContact CE1-CG 4.43Å; Y229-L497 HydrophobicContact CE2-CB 4.09Å; Y229-L497 HydrophobicContact CE2-CD1 3.75Å; Y229-L497 HydrophobicContact CE2-CG 3.91Å; Y229-L497 HydrophobicContact CG-CB 4.11Å; Y229-L497 HydrophobicContact CG-CD1 4.38Å
230	L	89.4	Confident	86.6	Confident	43 Å²	43	52.9 Å²	52.9	23%	0.225	29%	0.285	C	S	.	.	I	π-helix	trans	-93.9	-55.9	174	-81.4	90.9	0	0	0	112.8	I225 L226 V511	I225-L230 HydrophobicContact CG2-CD1 3.66Å; I225-L230 WeakPolarHBondContact O-CD1 3.41Å; I225-L230 PolarHBondContact O-N 3.25Å; L226-L230 HydrophobicContact CD1-CB 4.42Å; L230-V511 HydrophobicContact CD1-CG1 3.52Å; L230-V511 HydrophobicContact CG-CG1 4.18Å
231	F	88.6	Confident	85	Confident	113 Å²	113	57.9 Å²	57.9	50%	0.496	31%	0.312	S	S	.	.			trans	-141.9	63.6	-166.2	-62	-63.5	0	0	0	113.7	L226 A233 M234	L226-F231 HydrophobicContact CD1-CD2 3.99Å; L226-F231 PolarHBondContact O-N 2.96Å; F231-A233 PolarHBondContact O-N 2.85Å; F231-A233 VanDerWaalsContact O-N 3.07Å; F231-M234 HydrophobicContact CB-CE 3.66Å; F231-M234 HydrophobicContact CB-CG 4.07Å; F231-M234 HydrophobicContact CD2-CE 3.89Å; F231-M234 HydrophobicContact CG-CE 4.06Å; F231-M234 WeakPolarHBondContact O-CB 3.39Å; F231-M234 PolarHBondContact O-N 2.97Å
232	P	82.9	Confident	83.3	Confident	85 Å²	85	60 Å²	60	55%	0.552	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-58.3	-24	177.9	23.2	-34.2	0	0	0	114	L227 M234 A235	L227-P232 WeakPolarHBondContact O-CA 3.42Å; L227-P232 WeakPolarHBondContact O-CB 3.25Å; P232-M234 PolarHBondContact O-N 2.86Å; P232-A235 PolarHBondContact O-N 3.05Å
233	A	82.6	Confident	81.7	Confident	84 Å²	84	64.8 Å²	64.8	69%	0.694	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-59.2	-25.4	173.5	0	0	0	0	0	114	F231 A235 K238	F231-A233 PolarHBondContact O-N 2.85Å; F231-A233 VanDerWaalsContact O-N 3.07Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-A235 PolarHBondContact O-N 3.27Å; A233-K238 PolarHBondContact O-NZ 3.06Å
234	M	84.7	Confident	80.5	Confident	79 Å²	79	66 Å²	66	39%	0.389	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-78.8	-1.9	-178.1	-70.3	-155.4	-63.9	0	0	115.1	L226 F231 P232 I236 Y256	L226-M234 HydrophobicContact CD1-CE 4.33Å; L226-M234 HydrophobicContact CG-CE 4.39Å; F231-M234 HydrophobicContact CB-CE 3.66Å; F231-M234 HydrophobicContact CB-CG 4.07Å; F231-M234 HydrophobicContact CD2-CE 3.89Å; F231-M234 HydrophobicContact CG-CE 4.06Å; F231-M234 WeakPolarHBondContact O-CB 3.39Å; F231-M234 PolarHBondContact O-N 2.97Å; P232-M234 PolarHBondContact O-N 2.86Å; M234-I236 PolarHBondContact O-N 2.95Å; M234-I236 VanDerWaalsContact O-N 3.15Å; M234-Y256 PolarHBondContact O-OH 3.16Å
235	A	84.3	Confident	79.6	Confident	26 Å²	26	71.7 Å²	71.7	22%	0.215	40%	0.402	C	S	.	.			trans	-54.9	122.5	174.2	0	0	0	0	0	111.1	P232 A233 K238	P232-A235 PolarHBondContact O-N 3.05Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-A235 PolarHBondContact O-N 3.27Å; A235-K238 HydrophobicContact CB-CG 4.28Å; A235-K238 WeakPolarHBondContact O-CE 3.42Å
236	I	86.2	Confident	78.6	Confident	98 Å²	98	74.2 Å²	74.2	50%	0.503	42%	0.423	S	S	.	.	S	Bend	trans	-79.8	-48.5	-177.3	-63.5	168.3	0	0	0	109.3	M234 N252 V255 Y256	M234-I236 PolarHBondContact O-N 2.95Å; M234-I236 VanDerWaalsContact O-N 3.15Å; I236-N252 PolarHBondContact N-OD1 2.74Å; I236-V255 HydrophobicContact CD1-CG1 4.13Å; I236-Y256 HydrophobicContact CD1-CD2 4.45Å; I236-Y256 HydrophobicContact CD1-CE2 3.65Å; I236-Y256 HydrophobicContact CG1-CE2 3.91Å
237	F	86.5	Confident	78.1	Confident	93 Å²	93	75.5 Å²	75.5	41%	0.408	44%	0.438	S	S	.	.			trans	-90.9	124.7	171.4	-53.1	-73.1	0	0	0	108.8	A248 N251 N252 V255	F237-A248 HydrophobicContact CB-CB 4.1Å; F237-N251 HydrophobicContact CD2-CB 3.72Å; F237-N251 HydrophobicContact CE2-CB 4Å; F237-N251 HydrophobicContact CG-CB 4.31Å; F237-N252 PolarHBondContact N-OD1 3.22Å; F237-N252 PolarHBondContact O-ND2 2.86Å; F237-V255 HydrophobicContact CE2-CG2 4.02Å
238	K	79.6	Confident	77.9	Confident	142 Å²	142	75.4 Å²	75.4	62%	0.617	44%	0.439	S	S	*	.			trans	-124.4	136	170.3	-62.8	179.5	-176.5	173.8	0	106.7	A233 A235	A233-K238 PolarHBondContact O-NZ 3.06Å; A235-K238 HydrophobicContact CB-CG 4.28Å; A235-K238 WeakPolarHBondContact O-CE 3.42Å
239	A	71.5	Confident	77.8	Confident	42 Å²	42	77 Å²	77	35%	0.347	44%	0.443	S	S	.	.			trans	-81.9	155.6	175.6	0	0	0	0	0	110.2	D241 E245 A248	A239-D241 WeakPolarHBondContact CB-O 3.45Å; A239-E245 HydrophobicContact CB-CB 4.32Å; A239-A248 HydrophobicContact CB-CB 4.35Å
240	E	62.3	Low	77.7	Confident	200 Å²	200	79.1 Å²	79.1	94%	0.935	46%	0.455	S	S	*	.	S	Bend	trans	-91.9	-31.3	171.7	-62.3	-175.4	146.3	0	0	111.1
241	D	61.1	Low	77.8	Confident	107 Å²	107	80.1 Å²	80.1	57%	0.572	46%	0.461	S	S	*	.	S	Bend	trans	-110.2	146	175.2	-43	-52.8	0	0	0	111.4	A239 S243 G244	A239-D241 WeakPolarHBondContact CB-O 3.45Å; D241-S243 VanDerWaalsContact C-N 3.26Å; D241-S243 PolarHBondContact O-N 3.01Å; D241-G244 PolarHBondContact O-N 2.97Å
242	A	59	Low	77.9	Confident	44 Å²	44	75 Å²	75	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-62.1	-33.2	-177.3	0	0	0	0	0	112.6	G244 E245 D411	A242-G244 PolarHBondContact O-N 3.19Å; A242-G244 VanDerWaalsContact O-N 3.13Å; A242-E245 WeakPolarHBondContact O-CB 3.46Å; A242-E245 PolarHBondContact O-N 3.04Å; A242-E245 VanDerWaalsContact O-N 3.09Å; A242-D411 VanDerWaalsContact CB-OD1 3.24Å; A242-D411 WeakPolarHBondContact CB-OD1 3.33Å; A242-D411 PolarHBondContact N-OD1 3.31Å
243	S	60.1	Low	78.3	Confident	105 Å²	105	71.4 Å²	71.4	73%	0.734	42%	0.415	S	S	*	.	H	α-helix	trans	-59.6	-22.9	175.6	71.4	0	0	0	0	114.2	D241	D241-S243 VanDerWaalsContact C-N 3.26Å; D241-S243 PolarHBondContact O-N 3.01Å
244	G	67.8	Low	78.9	Confident	27 Å²	27	71.3 Å²	71.3	28%	0.278	40%	0.396	S	S	.	.	H	α-helix	trans	-90.2	-14.2	177.3	0	0	0	0	0	114.8	D241 A242 A246 A247 A248	D241-G244 PolarHBondContact O-N 2.97Å; A242-G244 PolarHBondContact O-N 3.19Å; A242-G244 VanDerWaalsContact O-N 3.13Å; G244-A246 PolarHBondContact O-N 3.12Å; G244-A247 WeakPolarHBondContact O-CB 3.3Å; G244-A247 PolarHBondContact O-N 2.89Å; G244-A247 VanDerWaalsContact O-N 3.11Å; G244-A248 PolarHBondContact O-N 3.2Å
245	E	73.2	Confident	79.4	Confident	130 Å²	130	70.9 Å²	70.9	61%	0.607	40%	0.398	S	S	*	.	H	α-helix	trans	-64.2	-43.4	-167.3	-174.8	163	-154.4	0	0	112.9	A239 A242 A247 A248 M249	A239-E245 HydrophobicContact CB-CB 4.32Å; A242-E245 WeakPolarHBondContact O-CB 3.46Å; A242-E245 PolarHBondContact O-N 3.04Å; A242-E245 VanDerWaalsContact O-N 3.09Å; E245-A247 VanDerWaalsContact C-N 3.27Å; E245-A247 PolarHBondContact O-N 3.24Å; E245-A248 WeakPolarHBondContact O-CB 3.45Å; E245-A248 PolarHBondContact O-N 3.05Å; E245-A248 VanDerWaalsContact O-N 3.15Å; E245-M249 PolarHBondContact O-N 3.35Å
246	A	72.9	Confident	79.9	Confident	54 Å²	54	71.8 Å²	71.8	45%	0.446	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-35.6	175.9	0	0	0	0	0	112.7	G244 L250	G244-A246 PolarHBondContact O-N 3.12Å; A246-L250 WeakPolarHBondContact O-CG 3.49Å; A246-L250 PolarHBondContact O-N 2.95Å; A246-L250 VanDerWaalsContact O-N 3.1Å
247	A	81.3	Confident	80.3	Confident	54 Å²	54	67.1 Å²	67.1	45%	0.446	37%	0.372	S	S	.	.	H	α-helix	trans	-72.8	-37.6	176.7	0	0	0	0	0	112	G244 E245 N251	G244-A247 WeakPolarHBondContact O-CB 3.3Å; G244-A247 PolarHBondContact O-N 2.89Å; G244-A247 VanDerWaalsContact O-N 3.11Å; E245-A247 VanDerWaalsContact C-N 3.27Å; E245-A247 PolarHBondContact O-N 3.24Å; A247-N251 PolarHBondContact O-N 3.42Å; A247-N251 VanDerWaalsContact O-N 3.16Å; A247-N251 PolarHBondContact O-ND2 2.91Å
248	A	85.3	Confident	80.8	Confident	13 Å²	13	64.9 Å²	64.9	11%	0.107	37%	0.366	C	S	.	.	H	α-helix	trans	-63.4	-44.4	172.1	0	0	0	0	0	111.4	F237 A239 G244 E245 L250 N251 N252	F237-A248 HydrophobicContact CB-CB 4.1Å; A239-A248 HydrophobicContact CB-CB 4.35Å; G244-A248 PolarHBondContact O-N 3.2Å; E245-A248 WeakPolarHBondContact O-CB 3.45Å; E245-A248 PolarHBondContact O-N 3.05Å; E245-A248 VanDerWaalsContact O-N 3.15Å; A248-L250 PolarHBondContact O-N 3.4Å; A248-N251 PolarHBondContact O-N 3.48Å; A248-N252 PolarHBondContact O-N 3.29Å; A248-N252 PolarHBondContact O-ND2 3.06Å
249	M	84.3	Confident	81.5	Confident	60 Å²	60	62 Å²	62	30%	0.296	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-47.8	176.6	-166.6	-176.4	-165.4	0	0	111.8	E245 N251 N252 M253 F489	E245-M249 PolarHBondContact O-N 3.35Å; M249-N251 VanDerWaalsContact C-N 3.31Å; M249-N251 PolarHBondContact O-N 3.44Å; M249-N252 WeakPolarHBondContact O-CB 3.39Å; M249-N252 PolarHBondContact O-N 2.79Å; M249-N252 VanDerWaalsContact O-N 3.15Å; M249-M253 HydrophobicContact CE-CE 3.71Å; M249-M253 HydrophobicContact CG-CE 4.07Å; M249-M253 WeakPolarHBondContact O-CG 3.34Å; M249-M253 PolarHBondContact O-N 2.95Å; M249-F489 HydrophobicContact CE-CD1 4.48Å; M249-F489 HydrophobicContact CE-CE1 3.99Å; M249-F489 HydrophobicContact CE-CZ 4.21Å; M249-F489 HydrophobicContact SD-CZ 4.31Å
250	L	88.2	Confident	82.6	Confident	63 Å²	63	61.8 Å²	61.8	33%	0.33	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-38.8	176.1	-71.9	167.7	0	0	0	112.5	A246 A248 M253 R254 A575	A246-L250 WeakPolarHBondContact O-CG 3.49Å; A246-L250 PolarHBondContact O-N 2.95Å; A246-L250 VanDerWaalsContact O-N 3.1Å; A248-L250 PolarHBondContact O-N 3.4Å; L250-M253 PolarHBondContact O-N 3.44Å; L250-R254 WeakPolarHBondContact O-CG 3.45Å; L250-R254 PolarHBondContact O-N 3.07Å; L250-R254 VanDerWaalsContact O-N 3.13Å; L250-A575 HydrophobicContact CB-CB 4.27Å; L250-A575 HydrophobicContact CD2-CB 3.8Å; L250-A575 WeakPolarHBondContact O-CB 3.36Å
251	N	91.4	Very high	84.2	Confident	63 Å²	63	52.5 Å²	52.5	34%	0.337	31%	0.314	S	S	.	.	H	α-helix	trans	-70.1	-33	176.3	-72.1	-28.4	0	0	0	112.9	F237 A247 A248 M249 R254 V255	F237-N251 HydrophobicContact CD2-CB 3.72Å; F237-N251 HydrophobicContact CE2-CB 4Å; F237-N251 HydrophobicContact CG-CB 4.31Å; A247-N251 PolarHBondContact O-N 3.42Å; A247-N251 VanDerWaalsContact O-N 3.16Å; A247-N251 PolarHBondContact O-ND2 2.91Å; A248-N251 PolarHBondContact O-N 3.48Å; M249-N251 VanDerWaalsContact C-N 3.31Å; M249-N251 PolarHBondContact O-N 3.44Å; N251-R254 PolarHBondContact OD1-NH1 3.32Å; N251-V255 PolarHBondContact O-N 2.65Å
252	N	91.7	Very high	85.9	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.032	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-44.5	169.2	-69.7	-53.1	0	0	0	111.5	L227 I236 F237 A248 M249 R254 V255 Y256	L227-N252 HydrophobicContact CD1-CB 3.83Å; I236-N252 PolarHBondContact N-OD1 2.74Å; F237-N252 PolarHBondContact N-OD1 3.22Å; F237-N252 PolarHBondContact O-ND2 2.86Å; A248-N252 PolarHBondContact O-N 3.29Å; A248-N252 PolarHBondContact O-ND2 3.06Å; M249-N252 WeakPolarHBondContact O-CB 3.39Å; M249-N252 PolarHBondContact O-N 2.79Å; M249-N252 VanDerWaalsContact O-N 3.15Å; N252-R254 VanDerWaalsContact C-N 3.29Å; N252-R254 PolarHBondContact O-N 3.04Å; N252-V255 PolarHBondContact O-N 2.94Å; N252-Y256 WeakPolarHBondContact O-CD2 3.38Å; N252-Y256 PolarHBondContact O-N 3.08Å
253	M	91.4	Very high	87.5	Confident	10 Å²	10	53 Å²	53	5%	0.049	32%	0.319	C	S	.	.	H	α-helix	trans	-57.8	-39.6	177.7	-65.6	-58.1	170.4	0	0	112.4	L220 I223 E224 L227 M249 L250 G257 A575	L220-M253 HydrophobicContact CD2-CB 4.45Å; I223-M253 HydrophobicContact CB-SD 3.95Å; I223-M253 HydrophobicContact CG2-SD 3.55Å; I223-M253 VanDerWaalsContact CG2-SD 3.55Å; E224-M253 HydrophobicContact CB-CE 4.27Å; E224-M253 HydrophobicContact CG-CE 4.29Å; L227-M253 HydrophobicContact CD1-CE 4.27Å; L227-M253 HydrophobicContact CD1-SD 4.14Å; M249-M253 HydrophobicContact CE-CE 3.71Å; M249-M253 HydrophobicContact CG-CE 4.07Å; M249-M253 WeakPolarHBondContact O-CG 3.34Å; M249-M253 PolarHBondContact O-N 2.95Å; L250-M253 PolarHBondContact O-N 3.44Å; M253-G257 WeakPolarHBondContact O-CA 3.28Å; M253-G257 PolarHBondContact O-N 3.39Å; M253-A575 HydrophobicContact CB-CB 4.16Å
254	R	94.9	Very high	89.1	Confident	81 Å²	81	48.5 Å²	48.5	31%	0.306	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-60.9	174.8	-68.8	174.1	173.7	128.9	5.6	111.6	L250 N251 N252 Y256 G257 T258 L573 A575	L250-R254 WeakPolarHBondContact O-CG 3.45Å; L250-R254 PolarHBondContact O-N 3.07Å; L250-R254 VanDerWaalsContact O-N 3.13Å; N251-R254 PolarHBondContact OD1-NH1 3.32Å; N252-R254 VanDerWaalsContact C-N 3.29Å; N252-R254 PolarHBondContact O-N 3.04Å; R254-Y256 PolarHBondContact O-N 2.86Å; R254-G257 PolarHBondContact O-N 3.07Å; R254-G257 VanDerWaalsContact O-N 3.14Å; R254-T258 PolarHBondContact O-N 3.36Å; R254-T258 PolarHBondContact O-OG1 3.02Å; R254-T258 VanDerWaalsContact O-OG1 3.09Å; R254-L573 PolarHBondContact NE-O 3.11Å; R254-L573 PolarHBondContact NH2-O 3.44Å; R254-A575 HydrophobicContact CG-CB 3.79Å
255	V	94.8	Very high	90.3	Very high	70 Å²	70	48 Å²	48	42%	0.424	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-45.1	-172.8	175.6	0	0	0	0	111.9	I236 F237 N251 N252 C259	I236-V255 HydrophobicContact CD1-CG1 4.13Å; F237-V255 HydrophobicContact CE2-CG2 4.02Å; N251-V255 PolarHBondContact O-N 2.65Å; N252-V255 PolarHBondContact O-N 2.94Å; V255-C259 WeakPolarHBondContact O-CB 3.31Å; V255-C259 PolarHBondContact O-N 2.98Å
256	Y	94.8	Very high	91.2	Very high	46 Å²	46	45.3 Å²	45.3	18%	0.18	27%	0.272	C	S	.	.	H	α-helix	trans	-70.1	-34.7	176.7	-80.3	-74.5	0	0	0	112.5	I223 L227 M234 I236 N252 R254 C259 V260	I223-Y256 HydrophobicContact CG2-CG 4.46Å; L227-Y256 HydrophobicContact CD1-CD2 4.09Å; L227-Y256 HydrophobicContact CD2-CD2 4.09Å; L227-Y256 HydrophobicContact CD2-CE2 4.03Å; M234-Y256 PolarHBondContact O-OH 3.16Å; I236-Y256 HydrophobicContact CD1-CD2 4.45Å; I236-Y256 HydrophobicContact CD1-CE2 3.65Å; I236-Y256 HydrophobicContact CG1-CE2 3.91Å; N252-Y256 WeakPolarHBondContact O-CD2 3.38Å; N252-Y256 PolarHBondContact O-N 3.08Å; R254-Y256 PolarHBondContact O-N 2.86Å; Y256-C259 PolarHBondContact O-N 3.09Å; Y256-V260 WeakPolarHBondContact O-CG2 2.96Å; Y256-V260 PolarHBondContact O-N 3.48Å
257	G	94.8	Very high	92	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-53.1	175.5	0	0	0	0	0	112.5	M253 R254 C259 V260 L261	M253-G257 WeakPolarHBondContact O-CA 3.28Å; M253-G257 PolarHBondContact O-N 3.39Å; R254-G257 PolarHBondContact O-N 3.07Å; R254-G257 VanDerWaalsContact O-N 3.14Å; G257-C259 VanDerWaalsContact C-N 3.26Å; G257-C259 PolarHBondContact O-N 3.16Å; G257-V260 PolarHBondContact O-N 3.42Å; G257-L261 WeakPolarHBondContact O-CB 3.46Å; G257-L261 PolarHBondContact O-N 3.29Å
258	T	95.9	Very high	92.4	Very high	45 Å²	45	43.7 Å²	43.7	28%	0.276	25%	0.251	S	S	.	.	H	α-helix	trans	-57.9	-40.1	176.8	-51.7	0	0	0	0	111.2	R254 T262 E569	R254-T258 PolarHBondContact O-N 3.36Å; R254-T258 PolarHBondContact O-OG1 3.02Å; R254-T258 VanDerWaalsContact O-OG1 3.09Å; T258-T262 WeakPolarHBondContact O-CB 3.47Å; T258-T262 PolarHBondContact O-N 3.09Å; T258-T262 PolarHBondContact O-OG1 2.96Å; T258-E569 WeakPolarHBondContact CB-OE1 3.5Å; T258-E569 VanDerWaalsContact CG2-OE1 3.24Å; T258-E569 WeakPolarHBondContact CG2-OE1 3.21Å; T258-E569 PolarHBondContact OG1-OE1 3Å; T258-E569 PolarHBondContact OG1-OE2 3.11Å
259	C	95.4	Very high	92.6	Very high	83 Å²	83	48 Å²	48	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-63.8	-46.3	176.4	-173.7	0	0	0	0	112.4	V255 Y256 G257 T262 C263	V255-C259 WeakPolarHBondContact O-CB 3.31Å; V255-C259 PolarHBondContact O-N 2.98Å; Y256-C259 PolarHBondContact O-N 3.09Å; G257-C259 VanDerWaalsContact C-N 3.26Å; G257-C259 PolarHBondContact O-N 3.16Å; C259-T262 PolarHBondContact O-N 3.34Å; C259-C263 WeakPolarHBondContact O-CB 3.4Å; C259-C263 PolarHBondContact O-N 3.41Å
260	V	94.7	Very high	92.8	Very high	36 Å²	36	50.2 Å²	50.2	22%	0.218	28%	0.284	C	S	.	.	H	α-helix	trans	-70.7	-38.3	178.9	168.2	0	0	0	0	111.8	I219 I223 Y256 G257 T262 C263 M264	I219-V260 HydrophobicContact CG2-CB 4.31Å; I219-V260 HydrophobicContact CG2-CG1 4.11Å; I223-V260 HydrophobicContact CD1-CB 3.97Å; I223-V260 HydrophobicContact CD1-CG1 4.47Å; I223-V260 HydrophobicContact CD1-CG2 3.57Å; Y256-V260 WeakPolarHBondContact O-CG2 2.96Å; Y256-V260 PolarHBondContact O-N 3.48Å; G257-V260 PolarHBondContact O-N 3.42Å; V260-T262 PolarHBondContact O-N 3.37Å; V260-C263 PolarHBondContact O-N 3.15Å; V260-M264 HydrophobicContact CG1-CE 3.8Å; V260-M264 HydrophobicContact CG1-CG 4.24Å; V260-M264 HydrophobicContact CG1-SD 4.17Å; V260-M264 WeakPolarHBondContact O-CB 3.3Å; V260-M264 WeakPolarHBondContact O-CG 3.46Å; V260-M264 PolarHBondContact O-N 2.88Å
261	L	96	Very high	92.1	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-46.2	172.2	176	60	0	0	0	111.2	I219 G257 C263 M264 A265 L526 A565 C568 E569 I572	I219-L261 HydrophobicContact CD1-CB 4Å; I219-L261 HydrophobicContact CD1-CD1 3.7Å; I219-L261 HydrophobicContact CD1-CG 4.41Å; G257-L261 WeakPolarHBondContact O-CB 3.46Å; G257-L261 PolarHBondContact O-N 3.29Å; L261-C263 VanDerWaalsContact C-N 3.32Å; L261-C263 PolarHBondContact O-N 2.91Å; L261-M264 PolarHBondContact O-N 3.26Å; L261-A265 VanDerWaalsContact O-CB 3.24Å; L261-A265 WeakPolarHBondContact O-CB 3.04Å; L261-A265 PolarHBondContact O-N 2.64Å; L261-L526 HydrophobicContact CD1-CD1 4.25Å; L261-L526 HydrophobicContact CD1-CD2 4.13Å; L261-A565 WeakPolarHBondContact CD2-O 3.42Å; L261-C568 HydrophobicContact CD1-CB 3.83Å; L261-C568 HydrophobicContact CD2-CB 3.68Å; L261-C568 HydrophobicContact CG-CB 4.45Å; L261-E569 HydrophobicContact CD2-CB 4.04Å; L261-E569 WeakPolarHBondContact CD2-OE2 3Å; L261-I572 HydrophobicContact CB-CD1 3.7Å; L261-I572 HydrophobicContact CD2-CD1 3.79Å; L261-I572 HydrophobicContact CG-CD1 4.28Å
262	T	95	Very high	91.4	Very high	83 Å²	83	44.9 Å²	44.9	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-41.8	177.9	-58.6	0	0	0	0	111.4	T258 C259 V260 T266	T258-T262 WeakPolarHBondContact O-CB 3.47Å; T258-T262 PolarHBondContact O-N 3.09Å; T258-T262 PolarHBondContact O-OG1 2.96Å; C259-T262 PolarHBondContact O-N 3.34Å; V260-T262 PolarHBondContact O-N 3.37Å; T262-T266 WeakPolarHBondContact O-CB 3.41Å; T262-T266 PolarHBondContact O-N 2.87Å; T262-T266 PolarHBondContact O-OG1 2.88Å
263	C	93.9	Very high	90.8	Very high	79 Å²	79	52 Å²	52	53%	0.534	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-51.4	174.7	-173.1	0	0	0	0	112	C259 V260 L261 A265 T266 V267	C259-C263 WeakPolarHBondContact O-CB 3.4Å; C259-C263 PolarHBondContact O-N 3.41Å; V260-C263 PolarHBondContact O-N 3.15Å; L261-C263 VanDerWaalsContact C-N 3.32Å; L261-C263 PolarHBondContact O-N 2.91Å; C263-A265 PolarHBondContact O-N 2.76Å; C263-T266 WeakPolarHBondContact O-CB 3.48Å; C263-T266 PolarHBondContact O-N 2.96Å; C263-V267 WeakPolarHBondContact O-CG2 3.36Å; C263-V267 PolarHBondContact O-N 2.89Å
264	M	92.9	Very high	90.1	Very high	10 Å²	10	59 Å²	59	5%	0.049	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-45.3	178.5	-73.5	-173.3	175	0	0	112.2	I219 V260 L261 T266 V267 V268 C519 L523 L526	I219-M264 HydrophobicContact CD1-SD 3.94Å; I219-M264 HydrophobicContact CG1-CE 4.36Å; I219-M264 HydrophobicContact CG1-SD 3.72Å; V260-M264 HydrophobicContact CG1-CE 3.8Å; V260-M264 HydrophobicContact CG1-CG 4.24Å; V260-M264 HydrophobicContact CG1-SD 4.17Å; V260-M264 WeakPolarHBondContact O-CB 3.3Å; V260-M264 WeakPolarHBondContact O-CG 3.46Å; V260-M264 PolarHBondContact O-N 2.88Å; L261-M264 PolarHBondContact O-N 3.26Å; M264-T266 VanDerWaalsContact C-N 3.27Å; M264-T266 PolarHBondContact O-N 2.86Å; M264-V267 PolarHBondContact O-N 3.39Å; M264-V268 WeakPolarHBondContact O-CG2 3.27Å; M264-V268 PolarHBondContact O-N 2.97Å; M264-C519 HydrophobicContact CE-CB 4.27Å; M264-C519 VanDerWaalsContact CE-SG 3.6Å; M264-L523 HydrophobicContact CB-CD2 3.85Å; M264-L523 HydrophobicContact CE-CG 4.42Å; M264-L523 HydrophobicContact CG-CD2 3.82Å; M264-L523 HydrophobicContact CG-CG 4.22Å; M264-L523 HydrophobicContact SD-CD2 4.36Å; M264-L523 HydrophobicContact SD-CG 4.24Å; M264-L526 HydrophobicContact CB-CD2 3.74Å
265	A	93	Very high	89.4	Confident	16 Å²	16	55.4 Å²	55.4	13%	0.132	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-36.8	176.9	0	0	0	0	0	111.7	L261 C263 V268 F269 L526	L261-A265 VanDerWaalsContact O-CB 3.24Å; L261-A265 WeakPolarHBondContact O-CB 3.04Å; L261-A265 PolarHBondContact O-N 2.64Å; C263-A265 PolarHBondContact O-N 2.76Å; A265-V268 PolarHBondContact O-N 2.95Å; A265-F269 WeakPolarHBondContact O-CB 3.28Å; A265-F269 PolarHBondContact O-N 2.8Å; A265-L526 HydrophobicContact CB-CD2 4.19Å
266	T	92.1	Very high	88.6	Confident	75 Å²	75	54 Å²	54	46%	0.46	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-45.2	174.4	-57.7	0	0	0	0	111.5	T262 C263 M264 V268 F269 V270	T262-T266 WeakPolarHBondContact O-CB 3.41Å; T262-T266 PolarHBondContact O-N 2.87Å; T262-T266 PolarHBondContact O-OG1 2.88Å; C263-T266 WeakPolarHBondContact O-CB 3.48Å; C263-T266 PolarHBondContact O-N 2.96Å; M264-T266 VanDerWaalsContact C-N 3.27Å; M264-T266 PolarHBondContact O-N 2.86Å; T266-V268 VanDerWaalsContact C-N 3.33Å; T266-V268 PolarHBondContact O-N 2.86Å; T266-F269 PolarHBondContact O-N 3.48Å; T266-V270 HydrophobicContact CG2-CG2 4.3Å; T266-V270 WeakPolarHBondContact O-CB 3.46Å; T266-V270 VanDerWaalsContact O-CG2 3.31Å; T266-V270 WeakPolarHBondContact O-CG2 3.41Å; T266-V270 PolarHBondContact O-N 2.82Å
267	V	90.5	Very high	87.8	Confident	64 Å²	64	59.9 Å²	59.9	39%	0.388	32%	0.32	S	S	.	.	H	α-helix	trans	-58.1	-45.2	174.7	170.8	0	0	0	0	111.2	C263 M264 V270 G271 V275	C263-V267 WeakPolarHBondContact O-CG2 3.36Å; C263-V267 PolarHBondContact O-N 2.89Å; M264-V267 PolarHBondContact O-N 3.39Å; V267-V270 PolarHBondContact O-N 2.8Å; V267-G271 PolarHBondContact O-N 2.84Å; V267-V275 HydrophobicContact CG1-CG2 4.14Å
268	V	90	Very high	87.3	Confident	10 Å²	10	65.3 Å²	65.3	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-39.3	176.9	171.9	0	0	0	0	112	M264 A265 T266 V272 L523 L526 T527 L561	M264-V268 WeakPolarHBondContact O-CG2 3.27Å; M264-V268 PolarHBondContact O-N 2.97Å; A265-V268 PolarHBondContact O-N 2.95Å; T266-V268 VanDerWaalsContact C-N 3.33Å; T266-V268 PolarHBondContact O-N 2.86Å; V268-V272 HydrophobicContact CG1-CG2 4.28Å; V268-L523 HydrophobicContact CG2-CD2 4.15Å; V268-L526 HydrophobicContact CG2-CD2 4.37Å; V268-L526 HydrophobicContact CG2-CG 4.44Å; V268-T527 HydrophobicContact CB-CG2 4.2Å; V268-T527 HydrophobicContact CG1-CG2 3.72Å; V268-T527 HydrophobicContact CG2-CG2 3.47Å; V268-T527 VanDerWaalsContact CG2-CG2 3.47Å; V268-L561 HydrophobicContact CB-CD1 4.37Å; V268-L561 HydrophobicContact CB-CD2 4.46Å; V268-L561 HydrophobicContact CG1-CD1 3.69Å; V268-L561 HydrophobicContact CG1-CD2 3.92Å; V268-L561 HydrophobicContact CG1-CG 4.47Å
269	F	89.1	Confident	86.6	Confident	103 Å²	103	63.1 Å²	63.1	45%	0.452	33%	0.33	S	S	.	.	H	α-helix	trans	-71	-35.5	178.1	-178.4	-95.5	0	0	0	113.3	A265 T266 K552 T558 L561	A265-F269 WeakPolarHBondContact O-CB 3.28Å; A265-F269 PolarHBondContact O-N 2.8Å; T266-F269 PolarHBondContact O-N 3.48Å; F269-K552 VanDerWaalsContact CE2-CE 3.44Å; F269-K552 VanDerWaalsContact CE2-NZ 3.32Å; F269-K552 VanDerWaalsContact CZ-NZ 3.25Å; F269-K552 PolarHBondContact O-NZ 3.27Å; F269-T558 HydrophobicContact CE2-CG2 4.35Å; F269-L561 HydrophobicContact CB-CD2 3.88Å; F269-L561 HydrophobicContact CD2-CD2 4.27Å
270	V	87.3	Confident	85.9	Confident	106 Å²	106	62.4 Å²	62.4	64%	0.642	32%	0.32	S	S	*	.	H	α-helix	trans	-71.8	-38.6	-178.4	168.1	0	0	0	0	111.8	T266 V267	T266-V270 HydrophobicContact CG2-CG2 4.3Å; T266-V270 WeakPolarHBondContact O-CB 3.46Å; T266-V270 VanDerWaalsContact O-CG2 3.31Å; T266-V270 WeakPolarHBondContact O-CG2 3.41Å; T266-V270 PolarHBondContact O-N 2.82Å; V267-V270 PolarHBondContact O-N 2.8Å
271	G	73.3	Confident	85.6	Confident	8 Å²	8	64.4 Å²	64.4	8%	0.082	33%	0.332	C	S	.	.			trans	168.1	120.7	168.2	0	0	0	0	0	114.3	V267 K273 Y274	V267-G271 PolarHBondContact O-N 2.84Å; G271-K273 PolarHBondContact O-N 3Å; G271-Y274 WeakPolarHBondContact O-CD2 3.38Å; G271-Y274 PolarHBondContact O-N 3.37Å
272	V	78	Confident	85.2	Confident	7 Å²	7	65.1 Å²	65.1	4%	0.042	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.4	-175.1	178.3	0	0	0	0	113	L94 V268 Y274 V275 N276 T527 E556	L94-V272 HydrophobicContact CD2-CG1 3.11Å; V268-V272 HydrophobicContact CG1-CG2 4.28Å; V272-Y274 PolarHBondContact O-N 2.95Å; V272-Y274 VanDerWaalsContact O-N 3.13Å; V272-V275 PolarHBondContact O-N 2.82Å; V272-V275 VanDerWaalsContact O-N 3.09Å; V272-N276 PolarHBondContact O-N 3.32Å; V272-T527 HydrophobicContact CG1-CG2 4.13Å; V272-T527 HydrophobicContact CG2-CG2 4.13Å; V272-E556 WeakPolarHBondContact CB-OE1 3.41Å; V272-E556 HydrophobicContact CG2-CG 4.45Å; V272-E556 WeakPolarHBondContact CG2-OE1 3.4Å; V272-E556 PolarHBondContact N-OE1 3.31Å
273	K	78.2	Confident	84.8	Confident	154 Å²	154	61.7 Å²	61.7	67%	0.67	31%	0.314	S	S	*	.	H	α-helix	trans	-56.5	-26.8	177.8	-66	-179	179.6	177.4	0	114.5	G271	G271-K273 PolarHBondContact O-N 3Å
274	Y	77.4	Confident	84.6	Confident	158 Å²	158	59.3 Å²	59.3	62%	0.62	30%	0.302	S	S	*	.	H	α-helix	trans	-76.6	-42.9	175.6	-64.1	-79.2	0	0	0	111.7	G271 V272 N276 K277 F278	G271-Y274 WeakPolarHBondContact O-CD2 3.38Å; G271-Y274 PolarHBondContact O-N 3.37Å; V272-Y274 PolarHBondContact O-N 2.95Å; V272-Y274 VanDerWaalsContact O-N 3.13Å; Y274-N276 VanDerWaalsContact C-N 3.29Å; Y274-N276 PolarHBondContact O-N 2.75Å; Y274-K277 PolarHBondContact O-N 3.32Å; Y274-F278 VanDerWaalsContact O-CD2 3.24Å; Y274-F278 WeakPolarHBondContact O-CD2 3.31Å; Y274-F278 PolarHBondContact O-N 2.98Å
275	V	80.9	Confident	84.5	Confident	6 Å²	6	60 Å²	60	4%	0.036	31%	0.308	C	S	.	.	H	α-helix	trans	-58.2	-43.1	176.8	-171.4	0	0	0	0	110.7	L94 V267 V272 K277 F278 A279 L523	L94-V275 HydrophobicContact CD1-CG1 4.06Å; V267-V275 HydrophobicContact CG1-CG2 4.14Å; V272-V275 PolarHBondContact O-N 2.82Å; V272-V275 VanDerWaalsContact O-N 3.09Å; V275-K277 VanDerWaalsContact C-N 3.26Å; V275-K277 PolarHBondContact O-N 2.89Å; V275-F278 PolarHBondContact O-N 3.27Å; V275-F278 VanDerWaalsContact O-N 3.12Å; V275-A279 PolarHBondContact O-N 3.3Å; V275-L523 HydrophobicContact CG1-CB 4.09Å
276	N	76.6	Confident	84.3	Confident	40 Å²	40	59.3 Å²	59.3	21%	0.214	30%	0.302	C	S	.	.	H	α-helix	trans	-52.4	-39.4	174.3	-82.2	5.8	0	0	0	113.4	T92 V272 Y274 A279	T92-N276 HydrophobicContact CG2-CB 4.19Å; V272-N276 PolarHBondContact O-N 3.32Å; Y274-N276 VanDerWaalsContact C-N 3.29Å; Y274-N276 PolarHBondContact O-N 2.75Å; N276-A279 WeakPolarHBondContact O-CB 3.4Å; N276-A279 PolarHBondContact O-N 2.76Å
277	K	79.3	Confident	84.3	Confident	170 Å²	170	59 Å²	59	74%	0.739	30%	0.297	S	S	*	.	H	α-helix	trans	-73.5	-30.8	-179.2	-70.2	-172.1	174.5	-170.3	0	113.2	Y274 V275 A279	Y274-K277 PolarHBondContact O-N 3.32Å; V275-K277 VanDerWaalsContact C-N 3.26Å; V275-K277 PolarHBondContact O-N 2.89Å; K277-A279 VanDerWaalsContact C-N 3.33Å
278	F	83.4	Confident	84.5	Confident	113 Å²	113	61.5 Å²	61.5	50%	0.496	31%	0.307	S	S	.	.	H	α-helix	trans	-81.7	-12	177.1	-66	-66.3	0	0	0	113.4	Y274 V275 L280 V281 F282	Y274-F278 VanDerWaalsContact O-CD2 3.24Å; Y274-F278 WeakPolarHBondContact O-CD2 3.31Å; Y274-F278 PolarHBondContact O-N 2.98Å; V275-F278 PolarHBondContact O-N 3.27Å; V275-F278 VanDerWaalsContact O-N 3.12Å; F278-L280 VanDerWaalsContact C-N 3.26Å; F278-L280 PolarHBondContact O-N 2.89Å; F278-L280 VanDerWaalsContact O-N 3.16Å; F278-V281 HydrophobicContact CD1-CG2 4.39Å; F278-V281 WeakPolarHBondContact O-CA 3.04Å; F278-V281 WeakPolarHBondContact O-CB 3.45Å; F278-V281 PolarHBondContact O-N 3.41Å; F278-F282 HydrophobicContact CB-CD2 4.3Å; F278-F282 HydrophobicContact CB-CE2 3.66Å; F278-F282 HydrophobicContact CB-CZ 3.8Å; F278-F282 VanDerWaalsContact O-CD2 3.26Å; F278-F282 WeakPolarHBondContact O-CD2 3.47Å; F278-F282 WeakPolarHBondContact O-CG 3.39Å; F278-F282 PolarHBondContact O-N 3.35Å
279	A	81.1	Confident	84.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-45.2	-46.5	176.4	0	0	0	0	0	114.1	Y91 N93 Q132 V275 N276 K277 L283	Y91-A279 HydrophobicContact CD1-CB 3.85Å; Y91-A279 HydrophobicContact CE1-CB 3.91Å; N93-A279 HydrophobicContact CB-CB 4.15Å; N93-A279 WeakPolarHBondContact OD1-CB 3.39Å; Q132-A279 PolarHBondContact NE2-O 2.83Å; V275-A279 PolarHBondContact O-N 3.3Å; N276-A279 WeakPolarHBondContact O-CB 3.4Å; N276-A279 PolarHBondContact O-N 2.76Å; K277-A279 VanDerWaalsContact C-N 3.33Å; A279-L283 PolarHBondContact O-N 2.68Å
280	L	82.1	Confident	84.8	Confident	68 Å²	68	57 Å²	57	36%	0.356	29%	0.288	S	S	.	.	H	α-helix	trans	-72.1	-33.4	-179.4	-174.7	150.6	0	0	0	112.2	L88 Y91 F278 L283 G284	L88-L280 HydrophobicContact CB-CD1 3.82Å; L88-L280 HydrophobicContact CD2-CD1 3.69Å; L88-L280 HydrophobicContact CG-CD1 4.36Å; L88-L280 WeakPolarHBondContact O-CD1 3.33Å; Y91-L280 HydrophobicContact CD1-CB 4.12Å; F278-L280 VanDerWaalsContact C-N 3.26Å; F278-L280 PolarHBondContact O-N 2.89Å; F278-L280 VanDerWaalsContact O-N 3.16Å; L280-L283 PolarHBondContact O-N 3.36Å; L280-G284 PolarHBondContact O-N 3.27Å
281	V	87.3	Confident	85.2	Confident	78 Å²	78	56.8 Å²	56.8	47%	0.473	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-47.2	176.1	-176.1	0	0	0	0	110.1	F278 L283 G284 C285	F278-V281 HydrophobicContact CD1-CG2 4.39Å; F278-V281 WeakPolarHBondContact O-CA 3.04Å; F278-V281 WeakPolarHBondContact O-CB 3.45Å; F278-V281 PolarHBondContact O-N 3.41Å; V281-L283 VanDerWaalsContact C-N 3.33Å; V281-L283 PolarHBondContact O-N 3.18Å; V281-G284 PolarHBondContact O-N 2.97Å; V281-G284 VanDerWaalsContact O-N 3.13Å; V281-C285 PolarHBondContact O-N 2.82Å; V281-C285 PolarHBondContact O-SG 3.11Å; V281-C285 VanDerWaalsContact O-SG 3.36Å
282	F	87.4	Confident	86.2	Confident	20 Å²	20	56.8 Å²	56.8	9%	0.088	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-41.8	176.4	-57.2	-45.9	0	0	0	112.1	F278 C285 V286 F516 L523	F278-F282 HydrophobicContact CB-CD2 4.3Å; F278-F282 HydrophobicContact CB-CE2 3.66Å; F278-F282 HydrophobicContact CB-CZ 3.8Å; F278-F282 VanDerWaalsContact O-CD2 3.26Å; F278-F282 WeakPolarHBondContact O-CD2 3.47Å; F278-F282 WeakPolarHBondContact O-CG 3.39Å; F278-F282 PolarHBondContact O-N 3.35Å; F282-C285 PolarHBondContact O-N 3.16Å; F282-V286 WeakPolarHBondContact O-CG2 3.47Å; F282-V286 PolarHBondContact O-N 2.94Å; F282-V286 VanDerWaalsContact O-N 3.14Å; F282-F516 HydrophobicContact CD1-CB 4.33Å; F282-F516 WeakPolarHBondContact CD1-O 3.5Å; F282-F516 HydrophobicContact CE1-CD1 4.49Å; F282-L523 HydrophobicContact CZ-CD1 4.39Å
283	L	86.7	Confident	87	Confident	11 Å²	11	56.8 Å²	56.8	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-41.7	174.5	178.6	59.7	0	0	0	112.1	Y91 L128 L131 Q132 A279 L280 V281 V286 I287	Y91-L283 HydrophobicContact CE1-CD2 4.32Å; L128-L283 HydrophobicContact CB-CD2 4.14Å; L128-L283 HydrophobicContact CD1-CD2 4.06Å; L128-L283 HydrophobicContact CD2-CD2 4.16Å; L128-L283 HydrophobicContact CG-CD2 4.35Å; L131-L283 HydrophobicContact CD2-CD1 3.97Å; Q132-L283 HydrophobicContact CB-CD1 4.2Å; Q132-L283 HydrophobicContact CG-CD1 4.45Å; A279-L283 PolarHBondContact O-N 2.68Å; L280-L283 PolarHBondContact O-N 3.36Å; V281-L283 VanDerWaalsContact C-N 3.33Å; V281-L283 PolarHBondContact O-N 3.18Å; L283-V286 PolarHBondContact O-N 3.1Å; L283-I287 HydrophobicContact CD1-CD1 3.83Å; L283-I287 HydrophobicContact CD1-CG1 4.25Å; L283-I287 HydrophobicContact CG-CD1 3.98Å; L283-I287 WeakPolarHBondContact O-CG1 3.38Å; L283-I287 PolarHBondContact O-N 3.31Å; L283-I287 VanDerWaalsContact O-N 3.08Å
284	G	89.8	Confident	87.8	Confident	28 Å²	28	52.1 Å²	52.1	29%	0.289	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-45.4	174.3	0	0	0	0	0	112.6	L280 V281 V286 I287 L288	L280-G284 PolarHBondContact O-N 3.27Å; V281-G284 PolarHBondContact O-N 2.97Å; V281-G284 VanDerWaalsContact O-N 3.13Å; G284-V286 VanDerWaalsContact C-N 3.35Å; G284-V286 PolarHBondContact O-N 3.44Å; G284-I287 PolarHBondContact O-N 2.81Å; G284-L288 WeakPolarHBondContact O-CB 3.47Å; G284-L288 VanDerWaalsContact O-CG 3.29Å; G284-L288 WeakPolarHBondContact O-CG 3.45Å; G284-L288 PolarHBondContact O-N 2.85Å
285	C	90.2	Very high	88.6	Confident	24 Å²	24	46.2 Å²	46.2	16%	0.162	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-43.7	175.6	-67.7	0	0	0	0	112.4	V281 F282 S289 F516	V281-C285 PolarHBondContact O-N 2.82Å; V281-C285 PolarHBondContact O-SG 3.11Å; V281-C285 VanDerWaalsContact O-SG 3.36Å; F282-C285 PolarHBondContact O-N 3.16Å; C285-S289 WeakPolarHBondContact O-CB 3.31Å; C285-S289 PolarHBondContact O-N 2.95Å; C285-S289 PolarHBondContact O-OG 3.49Å; C285-F516 HydrophobicContact CB-CB 4.46Å
286	V	90.5	Very high	89.2	Confident	2 Å²	2	46 Å²	46	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-53.1	176.9	171.8	0	0	0	0	111.3	F135 F282 L283 G284 L288 S289 I290 S517	F135-V286 HydrophobicContact CB-CG1 3.78Å; F135-V286 HydrophobicContact CD2-CG1 3.78Å; F135-V286 HydrophobicContact CG-CG1 4.06Å; F282-V286 WeakPolarHBondContact O-CG2 3.47Å; F282-V286 PolarHBondContact O-N 2.94Å; F282-V286 VanDerWaalsContact O-N 3.14Å; L283-V286 PolarHBondContact O-N 3.1Å; G284-V286 VanDerWaalsContact C-N 3.35Å; G284-V286 PolarHBondContact O-N 3.44Å; V286-L288 PolarHBondContact O-N 2.81Å; V286-S289 PolarHBondContact O-N 3.49Å; V286-I290 HydrophobicContact CG1-CD1 3.8Å; V286-I290 WeakPolarHBondContact O-CG1 3.31Å; V286-I290 PolarHBondContact O-N 2.74Å; V286-S517 WeakPolarHBondContact CG2-OG 3.33Å
287	I	92	Very high	90	Very high	70 Å²	70	44.7 Å²	44.7	36%	0.359	24%	0.236	S	C	.	.	H	α-helix	trans	-64	-43.4	-175.3	-66.3	171.3	0	0	0	110.8	L283 G284 S289 I290 L291	L283-I287 HydrophobicContact CD1-CD1 3.83Å; L283-I287 HydrophobicContact CD1-CG1 4.25Å; L283-I287 HydrophobicContact CG-CD1 3.98Å; L283-I287 WeakPolarHBondContact O-CG1 3.38Å; L283-I287 PolarHBondContact O-N 3.31Å; L283-I287 VanDerWaalsContact O-N 3.08Å; G284-I287 PolarHBondContact O-N 2.81Å; I287-S289 VanDerWaalsContact C-N 3.34Å; I287-S289 PolarHBondContact O-N 2.96Å; I287-I290 PolarHBondContact O-N 3.1Å; I287-L291 HydrophobicContact CG2-CD1 3.95Å; I287-L291 HydrophobicContact CG2-CG 4.45Å; I287-L291 WeakPolarHBondContact O-CG 3.45Å; I287-L291 PolarHBondContact O-N 3.42Å
288	L	93.1	Very high	90.7	Very high	115 Å²	115	41.9 Å²	41.9	60%	0.602	23%	0.228	S	C	*	.	H	α-helix	trans	-63.9	-37.9	176.7	-69.9	171.7	0	0	0	112.3	G284 V286 L291 A292	G284-L288 WeakPolarHBondContact O-CB 3.47Å; G284-L288 VanDerWaalsContact O-CG 3.29Å; G284-L288 WeakPolarHBondContact O-CG 3.45Å; G284-L288 PolarHBondContact O-N 2.85Å; V286-L288 PolarHBondContact O-N 2.81Å; L288-L291 PolarHBondContact O-N 3.03Å; L288-A292 WeakPolarHBondContact O-CB 3.42Å; L288-A292 PolarHBondContact O-N 3.09Å
289	S	93.6	Very high	91.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-43.9	176	-57.5	0	0	0	0	111.7	C285 V286 I287 A292 I293 I510	C285-S289 WeakPolarHBondContact O-CB 3.31Å; C285-S289 PolarHBondContact O-N 2.95Å; C285-S289 PolarHBondContact O-OG 3.49Å; V286-S289 PolarHBondContact O-N 3.49Å; I287-S289 VanDerWaalsContact C-N 3.34Å; I287-S289 PolarHBondContact O-N 2.96Å; S289-A292 PolarHBondContact O-N 3.04Å; S289-I293 WeakPolarHBondContact O-CG1 3.45Å; S289-I293 PolarHBondContact O-N 2.9Å; S289-I293 VanDerWaalsContact O-N 3.14Å; S289-I510 VanDerWaalsContact O-CD1 3.28Å; S289-I510 WeakPolarHBondContact O-CD1 3.39Å
290	I	93.2	Very high	91.7	Very high	17 Å²	17	40 Å²	40	9%	0.087	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-42.8	177.7	-67.8	170.4	0	0	0	110.8	F135 L139 V286 I287 I293 Y294 V468	F135-I290 HydrophobicContact CD1-CD1 4.16Å; F135-I290 HydrophobicContact CD2-CD1 3.85Å; F135-I290 HydrophobicContact CE1-CD1 4Å; F135-I290 HydrophobicContact CE2-CD1 3.66Å; F135-I290 HydrophobicContact CG-CD1 4.1Å; F135-I290 HydrophobicContact CZ-CD1 3.75Å; L139-I290 HydrophobicContact CD2-CD1 4.02Å; L139-I290 HydrophobicContact CD2-CG1 4.03Å; V286-I290 HydrophobicContact CG1-CD1 3.8Å; V286-I290 WeakPolarHBondContact O-CG1 3.31Å; V286-I290 PolarHBondContact O-N 2.74Å; I287-I290 PolarHBondContact O-N 3.1Å; I290-I293 PolarHBondContact O-N 3.09Å; I290-Y294 HydrophobicContact CG2-CD2 3.89Å; I290-Y294 HydrophobicContact CG2-CE2 3.55Å; I290-Y294 VanDerWaalsContact O-CD2 3.22Å; I290-Y294 WeakPolarHBondContact O-CD2 3.41Å; I290-Y294 PolarHBondContact O-N 3.45Å; I290-V468 HydrophobicContact CG2-CG1 4.31Å
291	L	94.8	Very high	92.1	Very high	101 Å²	101	38.7 Å²	38.7	53%	0.529	22%	0.22	S	C	.	.	H	α-helix	trans	-65.2	-37.9	176.3	-69.4	172.2	0	0	0	112.6	I287 L288 I293 Y294 A295	I287-L291 HydrophobicContact CG2-CD1 3.95Å; I287-L291 HydrophobicContact CG2-CG 4.45Å; I287-L291 WeakPolarHBondContact O-CG 3.45Å; I287-L291 PolarHBondContact O-N 3.42Å; L288-L291 PolarHBondContact O-N 3.03Å; L291-I293 VanDerWaalsContact C-N 3.31Å; L291-I293 PolarHBondContact O-N 3.2Å; L291-Y294 PolarHBondContact O-N 3.26Å; L291-A295 WeakPolarHBondContact O-CB 3.08Å; L291-A295 PolarHBondContact O-N 3.03Å
292	A	95.3	Very high	92.3	Very high	9 Å²	9	43.3 Å²	43.3	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-34.7	175.4	0	0	0	0	0	112.8	L288 S289 G296 A503 W504 V509 I510	L288-A292 WeakPolarHBondContact O-CB 3.42Å; L288-A292 PolarHBondContact O-N 3.09Å; S289-A292 PolarHBondContact O-N 3.04Å; A292-G296 PolarHBondContact O-N 3.04Å; A292-A503 HydrophobicContact CB-CB 4.44Å; A292-W504 WeakPolarHBondContact CA-O 3.44Å; A292-W504 VanDerWaalsContact CB-O 3.24Å; A292-W504 WeakPolarHBondContact CB-O 3.42Å; A292-W504 PolarHBondContact O-N 3.48Å; A292-V509 HydrophobicContact CB-CG1 4.06Å; A292-I510 HydrophobicContact CB-CD1 4.05Å
293	I	94.1	Very high	92.5	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-50.9	173.4	-66.8	163.5	0	0	0	110.6	F140 S289 I290 L291 A295 G296 V297 F476 V499 A503 I510	F140-I293 HydrophobicContact CD1-CD1 4.26Å; F140-I293 HydrophobicContact CE1-CD1 4Å; S289-I293 WeakPolarHBondContact O-CG1 3.45Å; S289-I293 PolarHBondContact O-N 2.9Å; S289-I293 VanDerWaalsContact O-N 3.14Å; I290-I293 PolarHBondContact O-N 3.09Å; L291-I293 VanDerWaalsContact C-N 3.31Å; L291-I293 PolarHBondContact O-N 3.2Å; I293-A295 PolarHBondContact O-N 2.83Å; I293-G296 PolarHBondContact O-N 2.97Å; I293-V297 WeakPolarHBondContact O-CG2 3.48Å; I293-V297 PolarHBondContact O-N 2.85Å; I293-F476 HydrophobicContact CG2-CE1 3.85Å; I293-F476 HydrophobicContact CG2-CZ 4.41Å; I293-V499 HydrophobicContact CD1-CG2 3.53Å; I293-V499 HydrophobicContact CG1-CG2 3.72Å; I293-V499 HydrophobicContact CG2-CG2 4.26Å; I293-A503 HydrophobicContact CG1-CB 4.49Å; I293-I510 HydrophobicContact CD1-CD1 4.2Å; I293-I510 HydrophobicContact CG1-CD1 3.83Å; I293-I510 HydrophobicContact CG1-CG1 4.47Å
294	Y	95.2	Very high	92.6	Very high	56 Å²	56	48.3 Å²	48.3	22%	0.22	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-39.2	179	-72.8	-66.3	0	0	0	112.8	I290 L291 G296 V297 I298 V468 S471 L475	I290-Y294 HydrophobicContact CG2-CD2 3.89Å; I290-Y294 HydrophobicContact CG2-CE2 3.55Å; I290-Y294 VanDerWaalsContact O-CD2 3.22Å; I290-Y294 WeakPolarHBondContact O-CD2 3.41Å; I290-Y294 PolarHBondContact O-N 3.45Å; L291-Y294 PolarHBondContact O-N 3.26Å; Y294-G296 VanDerWaalsContact C-N 3.31Å; Y294-G296 PolarHBondContact O-N 3.35Å; Y294-V297 PolarHBondContact O-N 3.35Å; Y294-I298 VanDerWaalsContact O-CG1 3.31Å; Y294-I298 WeakPolarHBondContact O-CG1 3.49Å; Y294-I298 PolarHBondContact O-N 3.16Å; Y294-V468 WeakPolarHBondContact OH-CA 3.26Å; Y294-S471 PolarHBondContact OH-OG 3.18Å; Y294-L475 HydrophobicContact CD1-CD1 3.93Å; Y294-L475 HydrophobicContact CE1-CD1 3.71Å
295	A	94.7	Very high	92.6	Very high	34 Å²	34	48.4 Å²	48.4	28%	0.281	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-40.2	173.8	0	0	0	0	0	111.7	L291 I293 I298 K299 W504	L291-A295 WeakPolarHBondContact O-CB 3.08Å; L291-A295 PolarHBondContact O-N 3.03Å; I293-A295 PolarHBondContact O-N 2.83Å; A295-I298 PolarHBondContact O-N 2.94Å; A295-K299 WeakPolarHBondContact O-CB 3.42Å; A295-K299 PolarHBondContact O-N 2.75Å; A295-W504 HydrophobicContact CB-CB 4.44Å; A295-W504 HydrophobicContact CB-CE3 3.96Å
296	G	93.9	Very high	92.5	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-45.7	174.4	0	0	0	0	0	113.7	A292 I293 Y294 I298 K299 S300 L502	A292-G296 PolarHBondContact O-N 3.04Å; I293-G296 PolarHBondContact O-N 2.97Å; Y294-G296 VanDerWaalsContact C-N 3.31Å; Y294-G296 PolarHBondContact O-N 3.35Å; G296-I298 PolarHBondContact O-N 2.93Å; G296-K299 PolarHBondContact O-N 3.16Å; G296-S300 WeakPolarHBondContact O-CB 3.39Å; G296-S300 PolarHBondContact O-N 3.48Å; G296-L502 CarbonylContact C-O 3.59Å; G296-L502 WeakPolarHBondContact CA-O 3.45Å
297	V	93.2	Very high	92.5	Very high	11 Å²	11	55.6 Å²	55.6	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-55.5	-51.4	172.1	166.6	0	0	0	0	111.2	I293 Y294 K299 S300 A301 L475 L502	I293-V297 WeakPolarHBondContact O-CG2 3.48Å; I293-V297 PolarHBondContact O-N 2.85Å; Y294-V297 PolarHBondContact O-N 3.35Å; V297-K299 VanDerWaalsContact C-N 3.34Å; V297-K299 PolarHBondContact O-N 2.87Å; V297-S300 WeakPolarHBondContact O-CB 3.44Å; V297-S300 PolarHBondContact O-N 3.34Å; V297-S300 VanDerWaalsContact O-N 3.13Å; V297-S300 PolarHBondContact O-OG 3.08Å; V297-A301 PolarHBondContact O-N 2.92Å; V297-L475 HydrophobicContact CG1-CB 4.37Å; V297-L475 HydrophobicContact CG1-CD1 4.15Å; V297-L475 HydrophobicContact CG1-CD2 3.82Å; V297-L475 HydrophobicContact CG1-CG 4.31Å; V297-L475 HydrophobicContact CG2-CB 4.18Å; V297-L475 HydrophobicContact CG2-CD1 4.46Å; V297-L502 HydrophobicContact CG2-CD1 4.46Å; V297-L502 HydrophobicContact CG2-CD2 3.79Å; V297-L502 HydrophobicContact CG2-CG 4.22Å
298	I	93.2	Very high	92.4	Very high	111 Å²	111	55 Å²	55	57%	0.569	29%	0.294	S	S	*	.	H	α-helix	trans	-62.7	-42.7	-179.1	-67.5	165.2	0	0	0	110.5	Y294 A295 G296 S300 A301 F302	Y294-I298 VanDerWaalsContact O-CG1 3.31Å; Y294-I298 WeakPolarHBondContact O-CG1 3.49Å; Y294-I298 PolarHBondContact O-N 3.16Å; A295-I298 PolarHBondContact O-N 2.94Å; G296-I298 PolarHBondContact O-N 2.93Å; I298-S300 VanDerWaalsContact C-N 3.31Å; I298-S300 PolarHBondContact O-N 3.35Å; I298-A301 WeakPolarHBondContact O-CB 3.32Å; I298-A301 PolarHBondContact O-N 3.05Å; I298-F302 HydrophobicContact CG2-CE2 4.41Å; I298-F302 WeakPolarHBondContact O-CD2 3.35Å
299	K	93.6	Very high	92.4	Very high	71 Å²	71	49.5 Å²	49.5	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-58.7	-42.3	173.7	176.9	176.1	168.5	59.1	0	111.7	A295 G296 V297 A301 F302 D303 W504	A295-K299 WeakPolarHBondContact O-CB 3.42Å; A295-K299 PolarHBondContact O-N 2.75Å; G296-K299 PolarHBondContact O-N 3.16Å; V297-K299 VanDerWaalsContact C-N 3.34Å; V297-K299 PolarHBondContact O-N 2.87Å; K299-A301 PolarHBondContact O-N 3.42Å; K299-A301 VanDerWaalsContact O-N 3.09Å; K299-F302 PolarHBondContact O-N 3.38Å; K299-D303 IonicContact NZ-OD2 2.56Å; K299-D303 PolarHBondContact NZ-OD2 3.35Å; K299-D303 PolarHBondContact O-N 2.93Å; K299-W504 VanDerWaalsContact CD-CD1 3.5Å; K299-W504 HydrophobicContact CD-CG 4.18Å
300	S	92.3	Very high	92.3	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-16.2	-178	83.8	0	0	0	0	114.8	G296 V297 I298 F302 G371 A372	G296-S300 WeakPolarHBondContact O-CB 3.39Å; G296-S300 PolarHBondContact O-N 3.48Å; V297-S300 WeakPolarHBondContact O-CB 3.44Å; V297-S300 PolarHBondContact O-N 3.34Å; V297-S300 VanDerWaalsContact O-N 3.13Å; V297-S300 PolarHBondContact O-OG 3.08Å; I298-S300 VanDerWaalsContact C-N 3.31Å; I298-S300 PolarHBondContact O-N 3.35Å; S300-F302 VanDerWaalsContact C-N 3.31Å; S300-G371 WeakPolarHBondContact O-CA 3.5Å; S300-A372 PolarHBondContact OG-N 2.71Å
301	A	90.6	Very high	92.2	Very high	42 Å²	42	48.6 Å²	48.6	35%	0.347	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.2	173.6	0	0	0	0	0	113.5	V297 I298 K299 A372	V297-A301 PolarHBondContact O-N 2.92Å; I298-A301 WeakPolarHBondContact O-CB 3.32Å; I298-A301 PolarHBondContact O-N 3.05Å; K299-A301 PolarHBondContact O-N 3.42Å; K299-A301 VanDerWaalsContact O-N 3.09Å; A301-A372 HydrophobicContact CB-CB 4.27Å
302	F	91.8	Very high	92	Very high	175 Å²	175	43.8 Å²	43.8	77%	0.768	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-36.1	-176.8	-54.5	-75.6	0	0	0	113.4	I298 K299 S300	I298-F302 HydrophobicContact CG2-CE2 4.41Å; I298-F302 WeakPolarHBondContact O-CD2 3.35Å; K299-F302 PolarHBondContact O-N 3.38Å; S300-F302 VanDerWaalsContact C-N 3.31Å
303	D	90.5	Very high	91.6	Very high	93 Å²	93	43.6 Å²	43.6	50%	0.497	24%	0.235	S	C	.	.	S	Bend	trans	-149.2	85.4	-175	-178.6	32.5	0	0	0	109.3	K299	K299-D303 IonicContact NZ-OD2 2.56Å; K299-D303 PolarHBondContact NZ-OD2 3.35Å; K299-D303 PolarHBondContact O-N 2.93Å
304	P	89.4	Confident	91.4	Very high	42 Å²	42	44.3 Å²	44.3	27%	0.273	24%	0.239	S	C	.	.			trans	-70.9	143.3	-173.8	28.5	-34.5	0	0	0	112.6	N306	P304-N306 PolarHBondContact O-N 3.1Å
305	P	89.4	Confident	91.2	Very high	30 Å²	30	43.1 Å²	43.1	20%	0.195	23%	0.233	C	C	.	.			trans	-72.7	129.9	-178.5	30.4	-34.8	0	0	0	111.9	F307 Q367 I369	P305-F307 HydrophobicContact CB-CD2 3.98Å; P305-F307 HydrophobicContact CB-CE2 3.97Å; P305-F307 HydrophobicContact CG-CD2 4.39Å; P305-F307 PolarHBondContact O-N 3.29Å; P305-Q367 PolarHBondContact O-NE2 3.1Å; P305-I369 HydrophobicContact CG-CB 4.11Å; P305-I369 HydrophobicContact CG-CD1 4.02Å; P305-I369 HydrophobicContact CG-CG2 3.86Å
306	N	88.3	Confident	91	Very high	130 Å²	130	41.5 Å²	41.5	70%	0.695	22%	0.22	S	C	*	.			trans	-78	85.3	-176.5	-71.7	-25.9	0	0	0	112.8	P304 P308 Q367	P304-N306 PolarHBondContact O-N 3.1Å; N306-P308 WeakPolarHBondContact O-CD 3.34Å; N306-Q367 PolarHBondContact OD1-NE2 3.44Å
307	F	89.5	Confident	90.8	Very high	48 Å²	48	41.4 Å²	41.4	21%	0.211	22%	0.219	C	C	.	.			trans	-111.3	92.1	167	-71.6	-82.1	0	0	0	109.8	P305 G368 T501 P507	P305-F307 HydrophobicContact CB-CD2 3.98Å; P305-F307 HydrophobicContact CB-CE2 3.97Å; P305-F307 HydrophobicContact CG-CD2 4.39Å; P305-F307 PolarHBondContact O-N 3.29Å; F307-G368 WeakPolarHBondContact O-CA 3.43Å; F307-G368 PolarHBondContact O-N 3.31Å; F307-T501 HydrophobicContact CD1-CG2 3.86Å; F307-T501 HydrophobicContact CD2-CG2 4.23Å; F307-T501 HydrophobicContact CE1-CG2 3.7Å; F307-T501 HydrophobicContact CE2-CG2 4.08Å; F307-T501 VanDerWaalsContact CE2-O 3.26Å; F307-T501 WeakPolarHBondContact CE2-O 3.35Å; F307-T501 HydrophobicContact CG-CG2 4.12Å; F307-T501 HydrophobicContact CZ-CG2 3.82Å; F307-P507 HydrophobicContact CZ-CG 4.05Å
308	P	91	Very high	90.6	Very high	56 Å²	56	41.3 Å²	41.3	36%	0.364	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	142.5	177.4	30.5	-33.8	0	0	0	111.9	N306 E365 I366	N306-P308 WeakPolarHBondContact O-CD 3.34Å; P308-E365 HydrophobicContact CB-CG 3.67Å; P308-I366 CarbonylContact C-O 3.47Å; P308-I366 WeakPolarHBondContact CA-O 3.28Å
309	I	92.1	Very high	90.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.4	177.7	67.1	177.7	0	0	0	110.4	E365 I366 E481 V483 V484 A492 V493	I309-E365 WeakPolarHBondContact O-CA 3.39Å; I309-I366 HydrophobicContact CD1-CD1 4.15Å; I309-I366 HydrophobicContact CD1-CG1 3.95Å; I309-I366 HydrophobicContact CG1-CD1 4.29Å; I309-I366 HydrophobicContact CG1-CG1 3.55Å; I309-I366 PolarHBondContact N-O 2.94Å; I309-I366 PolarHBondContact O-N 3.07Å; I309-E481 HydrophobicContact CD1-CG 4.03Å; I309-V483 HydrophobicContact CD1-CG2 3.41Å; I309-V483 VanDerWaalsContact CD1-CG2 3.41Å; I309-V484 HydrophobicContact CD1-CG2 3.62Å; I309-V484 HydrophobicContact CG2-CG2 3.91Å; I309-A492 HydrophobicContact CG2-CB 4.44Å; I309-A492 WeakPolarHBondContact CG2-O 3.28Å; I309-V493 HydrophobicContact CG2-CG1 3.66Å
310	C	92.1	Very high	89.4	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.5	-171.8	-161.9	0	0	0	0	111.8	L317 F322 C325	C310-L317 HydrophobicContact CB-CB 4.36Å; C310-L317 HydrophobicContact CB-CD1 4.44Å; C310-L317 PolarHBondContact O-N 3.07Å; C310-F322 HydrophobicContact CB-CE2 4.07Å; C310-F322 HydrophobicContact CB-CZ 4.1Å; C310-C325 WeakPolarHBondContact CA-SG 3.16Å; C310-C325 HydrophobicContact CB-CB 3.82Å; C310-C325 WeakPolarHBondContact CB-SG 3.42Å; C310-C325 VanDerWaalsContact SG-CA 3.57Å; C310-C325 WeakPolarHBondContact SG-CB 3.28Å; C310-C325 CovalentContact SG-SG 2.03Å; C310-C325 PolarHBondContact SG-SG 3.32Å
311	L	91.1	Very high	88.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.4	176.7	-56.8	-176	0	0	0	111.3	R315 T316 V363 T364 I366 R394 M397	L311-R315 CarbonylContact C-O 3.58Å; L311-R315 VanDerWaalsContact CA-O 3.3Å; L311-R315 WeakPolarHBondContact CA-O 3.29Å; L311-T316 HydrophobicContact CD2-CG2 4.1Å; L311-V363 CarbonylContact O-C 3.58Å; L311-V363 WeakPolarHBondContact O-CA 3.46Å; L311-T364 PolarHBondContact N-O 3.23Å; L311-T364 PolarHBondContact O-N 3.23Å; L311-I366 HydrophobicContact CD1-CD1 3.63Å; L311-I366 HydrophobicContact CD1-CG1 4.11Å; L311-I366 HydrophobicContact CG-CD1 4.34Å; L311-I366 HydrophobicContact CG-CG1 4.37Å; L311-R394 HydrophobicContact CD1-CB 4.22Å; L311-M397 HydrophobicContact CD1-CE 3.9Å; L311-M397 HydrophobicContact CD1-CG 4.18Å; L311-M397 HydrophobicContact CD1-SD 4.25Å
312	L	90.3	Very high	88	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	100.3	169.3	-178.4	69.5	0	0	0	108.1	N314 R315 L317 F344 Y357 F358 V363 Y414	L312-N314 PolarHBondContact O-N 2.98Å; L312-N314 VanDerWaalsContact O-N 3.15Å; L312-R315 PolarHBondContact N-O 3.37Å; L312-R315 PolarHBondContact O-N 2.91Å; L312-L317 HydrophobicContact CB-CD1 4.15Å; L312-L317 HydrophobicContact CB-CD2 4.35Å; L312-L317 HydrophobicContact CB-CG 4.26Å; L312-F344 HydrophobicContact CD2-CE1 4.36Å; L312-F344 HydrophobicContact CD2-CZ 4.31Å; L312-Y357 HydrophobicContact CB-CE1 4.33Å; L312-Y357 HydrophobicContact CD2-CD1 3.71Å; L312-Y357 HydrophobicContact CD2-CE1 3.76Å; L312-Y357 HydrophobicContact CG-CD1 4.1Å; L312-Y357 HydrophobicContact CG-CE1 3.7Å; L312-Y357 VanDerWaalsContact O-CE1 3.32Å; L312-Y357 WeakPolarHBondContact O-CE1 3.34Å; L312-Y357 PolarHBondContact O-OH 3.36Å; L312-F358 HydrophobicContact CD1-CD2 3.75Å; L312-F358 HydrophobicContact CD1-CE2 4.29Å; L312-F358 HydrophobicContact CD2-CB 4.27Å; L312-F358 HydrophobicContact CD2-CD2 3.89Å; L312-F358 HydrophobicContact CG-CD2 4.5Å; L312-V363 HydrophobicContact CD1-CG2 3.57Å; L312-Y414 HydrophobicContact CD2-CE1 4.23Å
313	G	88.5	Confident	87.3	Confident	5 Å²	5	36.1 Å²	36.1	5%	0.052	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-112.2	-165.7	0	0	0	0	0	110.9	N362 M397	G313-N362 PolarHBondContact N-O 3.41Å; G313-M397 VanDerWaalsContact O-CE 3.29Å; G313-M397 WeakPolarHBondContact O-CE 3.02Å
314	N	89.3	Confident	87.1	Confident	21 Å²	21	35.4 Å²	35.4	11%	0.112	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-10.4	175.3	69.2	-28.5	0	0	0	114.3	L312 Y357 E393 R394 M397 S399	L312-N314 PolarHBondContact O-N 2.98Å; L312-N314 VanDerWaalsContact O-N 3.15Å; N314-Y357 PolarHBondContact N-OH 2.77Å; N314-Y357 PolarHBondContact OD1-OH 2.71Å; N314-E393 PolarHBondContact ND2-OE1 2.66Å; N314-E393 VanDerWaalsContact ND2-OE1 3.14Å; N314-E393 PolarHBondContact ND2-OE2 3.41Å; N314-E393 CarbonylContact O-C 3.57Å; N314-E393 VanDerWaalsContact O-CA 3.24Å; N314-E393 WeakPolarHBondContact O-CA 3.4Å; N314-R394 PolarHBondContact O-N 3.15Å; N314-M397 HydrophobicContact CB-CB 4.12Å; N314-S399 VanDerWaalsContact CG-OG 3.32Å; N314-S399 WeakPolarHBondContact OD1-CB 3.47Å
315	R	90	Very high	87	Confident	30 Å²	30	34 Å²	34	11%	0.113	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	138.1	-173.6	-65.3	179.9	-179.9	171.9	-2	112.5	L311 L312 Y357 I391 E393 Y414	L311-R315 CarbonylContact C-O 3.58Å; L311-R315 VanDerWaalsContact CA-O 3.3Å; L311-R315 WeakPolarHBondContact CA-O 3.29Å; L312-R315 PolarHBondContact N-O 3.37Å; L312-R315 PolarHBondContact O-N 2.91Å; R315-Y357 HydrophobicContact CB-CE1 4.42Å; R315-Y357 HydrophobicContact CG-CE1 4.09Å; R315-I391 HydrophobicContact CB-CG2 4.04Å; R315-I391 HydrophobicContact CG-CD1 4.38Å; R315-I391 HydrophobicContact CG-CG2 4.06Å; R315-E393 HydrophobicContact CG-CG 4.15Å; R315-E393 IonicContact NE-OE1 2.71Å; R315-Y414 HydrophobicContact CB-CD1 3.96Å; R315-Y414 HydrophobicContact CB-CE1 3.77Å; R315-Y414 HydrophobicContact CG-CE1 4.28Å; R315-Y414 PolarHBondContact NH1-OH 3.02Å
316	T	91.1	Very high	87	Confident	1 Å²	1	34 Å²	34	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.3	175.6	-47.1	0	0	0	0	111.1	L311 V392 V415 V483 A492	L311-T316 HydrophobicContact CD2-CG2 4.1Å; T316-V392 WeakPolarHBondContact CB-O 3.49Å; T316-V392 PolarHBondContact N-O 3.32Å; T316-V392 VanDerWaalsContact N-O 3.15Å; T316-V392 PolarHBondContact OG1-O 3.12Å; T316-V415 HydrophobicContact CG2-CB 4.45Å; T316-V415 HydrophobicContact CG2-CG2 4.01Å; T316-V415 PolarHBondContact O-N 3.42Å; T316-V483 HydrophobicContact CG2-CB 4.48Å; T316-V483 WeakPolarHBondContact OG1-CB 3.38Å; T316-V483 WeakPolarHBondContact OG1-CG1 3.37Å; T316-A492 HydrophobicContact CG2-CB 3.88Å
317	L	90.4	Very high	86.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-95.6	140.1	174.4	-62.7	172.5	0	0	0	110.7	C310 L312 F322 L340 F344 P413 Y414	C310-L317 HydrophobicContact CB-CB 4.36Å; C310-L317 HydrophobicContact CB-CD1 4.44Å; C310-L317 PolarHBondContact O-N 3.07Å; L312-L317 HydrophobicContact CB-CD1 4.15Å; L312-L317 HydrophobicContact CB-CD2 4.35Å; L312-L317 HydrophobicContact CB-CG 4.26Å; L317-F322 HydrophobicContact CB-CE1 4.39Å; L317-F322 HydrophobicContact CB-CZ 3.98Å; L317-F322 HydrophobicContact CD1-CZ 4.12Å; L317-L340 HydrophobicContact CD1-CD1 3.97Å; L317-L340 HydrophobicContact CD1-CD2 4.19Å; L317-F344 HydrophobicContact CD2-CE2 3.94Å; L317-F344 HydrophobicContact CD2-CZ 3.7Å; L317-P413 CarbonylContact C-O 3.19Å; L317-P413 VanDerWaalsContact CA-O 3.28Å; L317-P413 WeakPolarHBondContact CA-O 3.45Å; L317-P413 WeakPolarHBondContact CD2-O 3.31Å; L317-Y414 HydrophobicContact CD2-CD1 3.84Å; L317-Y414 HydrophobicContact CD2-CE1 3.94Å
318	S	88.6	Confident	86.8	Confident	9 Å²	9	30.7 Å²	30.7	6%	0.063	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-67.1	135.8	167.3	-172.7	0	0	0	0	108.6	H320 F322 P413 E491	S318-H320 PolarHBondContact O-N 2.73Å; S318-F322 WeakPolarHBondContact O-CE1 3.4Å; S318-P413 PolarHBondContact N-O 2.86Å; S318-E491 WeakPolarHBondContact CB-OE2 3.44Å; S318-E491 WeakPolarHBondContact OG-CB 3.42Å; S318-E491 PolarHBondContact OG-OE2 3.39Å
319	R	84.6	Confident	86.4	Confident	36 Å²	36	29.8 Å²	29.8	14%	0.136	18%	0.176	C	C	.	.	S	Bend	trans	-80.7	-3.4	-177.1	-163.4	53.1	172.5	-112.5	13.7	112.9	F322 D323 E365 E491 N494	R319-F322 PolarHBondContact NE-O 3.39Å; R319-D323 PolarHBondContact NH2-O 2.89Å; R319-E365 IonicContact CZ-OE1 3.26Å; R319-E365 VanDerWaalsContact CZ-OE1 3.26Å; R319-E365 IonicContact NH1-OE1 2.73Å; R319-E365 PolarHBondContact NH1-OE1 3.08Å; R319-E365 IonicContact NH2-OE1 2.84Å; R319-E365 PolarHBondContact NH2-OE1 3.36Å; R319-E491 WeakPolarHBondContact CB-O 3.43Å; R319-E491 PolarHBondContact N-O 3.35Å; R319-N494 HydrophobicContact CB-CB 4.16Å; R319-N494 HydrophobicContact CG-CB 4.09Å
320	H	76.5	Confident	85.9	Confident	95 Å²	95	39.1 Å²	39.1	44%	0.44	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	136.9	174.6	-65.4	-69.7	0	0	0	111.4	S318	S318-H320 PolarHBondContact O-N 2.73Å
321	G	72.3	Confident	85.4	Confident	54 Å²	54	46 Å²	46	56%	0.557	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	-20.1	177.1	0	0	0	0	0	116.6
322	F	81.8	Confident	85	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.013	28%	0.277	C	S	.	.			trans	-141.1	132.6	179.1	68.1	-87.5	0	0	0	114.8	C310 L317 S318 R319 R339 L340 L343	C310-F322 HydrophobicContact CB-CE2 4.07Å; C310-F322 HydrophobicContact CB-CZ 4.1Å; L317-F322 HydrophobicContact CB-CE1 4.39Å; L317-F322 HydrophobicContact CB-CZ 3.98Å; L317-F322 HydrophobicContact CD1-CZ 4.12Å; S318-F322 WeakPolarHBondContact O-CE1 3.4Å; R319-F322 PolarHBondContact NE-O 3.39Å; F322-R339 HydrophobicContact CB-CB 3.97Å; F322-L340 HydrophobicContact CB-CB 4.17Å; F322-L340 HydrophobicContact CD1-CB 4.46Å; F322-L340 HydrophobicContact CD1-CD1 3.89Å; F322-L340 HydrophobicContact CD2-CB 4.12Å; F322-L340 HydrophobicContact CD2-CD1 4.43Å; F322-L340 HydrophobicContact CD2-CD2 4.41Å; F322-L340 HydrophobicContact CE1-CD1 3.77Å; F322-L340 HydrophobicContact CE2-CD1 4.35Å; F322-L340 HydrophobicContact CE2-CD2 4.24Å; F322-L340 HydrophobicContact CG-CB 4Å; F322-L340 HydrophobicContact CG-CD1 4.22Å; F322-L340 HydrophobicContact CZ-CD1 4.03Å; F322-L343 HydrophobicContact CD1-CD1 3.91Å
323	D	77.3	Confident	84.8	Confident	105 Å²	105	57 Å²	57	56%	0.561	32%	0.318	S	S	*	.	S	Bend	trans	-83.2	-33	-177.3	-46	-65	0	0	0	112.4	R319 R339	R319-D323 PolarHBondContact NH2-O 2.89Å; D323-R339 IonicContact OD1-NH1 3.81Å; D323-R339 IonicContact OD2-CZ 3.68Å; D323-R339 IonicContact OD2-NE 3.84Å; D323-R339 IonicContact OD2-NH1 2.65Å; D323-R339 PolarHBondContact OD2-NH1 3.13Å; D323-R339 IonicContact OD2-NH2 3.62Å; D323-R339 PolarHBondContact OD2-NH2 3.41Å
324	V	85.8	Confident	84.5	Confident	77 Å²	77	63.7 Å²	63.7	47%	0.467	35%	0.348	S	S	.	.	S	Bend	trans	-111	120.5	-170.9	-178.4	0	0	0	0	111.3	A326 T338	V324-A326 HydrophobicContact CG1-CB 4.07Å; V324-A326 PolarHBondContact O-N 3.39Å; V324-T338 HydrophobicContact CG1-CG2 4.43Å
325	C	88.1	Confident	84.2	Confident	13 Å²	13	65.5 Å²	65.5	9%	0.088	36%	0.36	C	S	.	.			trans	-79.4	63.7	176.8	-174.4	0	0	0	0	112.3	C310 V363 E365	C310-C325 WeakPolarHBondContact CA-SG 3.16Å; C310-C325 HydrophobicContact CB-CB 3.82Å; C310-C325 WeakPolarHBondContact CB-SG 3.42Å; C310-C325 VanDerWaalsContact SG-CA 3.57Å; C310-C325 WeakPolarHBondContact SG-CB 3.28Å; C310-C325 CovalentContact SG-SG 2.03Å; C310-C325 PolarHBondContact SG-SG 3.32Å; C325-V363 VanDerWaalsContact SG-CG1 3.54Å; C325-E365 HydrophobicContact CB-CB 3.99Å; C325-E365 HydrophobicContact CB-CG 4.03Å; C325-E365 VanDerWaalsContact CB-OE1 3.27Å; C325-E365 WeakPolarHBondContact CB-OE1 3.44Å
326	A	88.2	Confident	83.9	Confident	29 Å²	29	66.6 Å²	66.6	24%	0.24	37%	0.37	C	S	.	.	S	Bend	trans	-149.8	158	175.2	0	0	0	0	0	110.9	V324 L328 T338	V324-A326 HydrophobicContact CG1-CB 4.07Å; V324-A326 PolarHBondContact O-N 3.39Å; A326-L328 WeakPolarHBondContact CB-O 3.42Å; A326-T338 HydrophobicContact CB-CG2 4.47Å; A326-T338 WeakPolarHBondContact O-CB 3.31Å; A326-T338 WeakPolarHBondContact O-CG2 3.45Å; A326-T338 PolarHBondContact O-OG1 2.81Å
327	K	86.5	Confident	83.6	Confident	42 Å²	42	67.3 Å²	67.3	18%	0.183	37%	0.374	C	S	.	.	S	Bend	trans	-75.4	-37.1	173.3	-59.7	-168.2	-173.3	179.7	0	112.5	T338 W341 F358 N361 V363	K327-T338 PolarHBondContact O-N 3.13Å; K327-T338 PolarHBondContact O-OG1 3.11Å; K327-W341 HydrophobicContact CB-CE3 4.18Å; K327-W341 HydrophobicContact CB-CZ3 4.46Å; K327-F358 HydrophobicContact CB-CZ 4.33Å; K327-F358 HydrophobicContact CD-CE1 4.13Å; K327-F358 HydrophobicContact CD-CE2 4.47Å; K327-F358 HydrophobicContact CD-CZ 3.95Å; K327-F358 WeakPolarHBondContact CE-O 3.48Å; K327-F358 HydrophobicContact CG-CE1 4.39Å; K327-F358 HydrophobicContact CG-CE2 4.21Å; K327-F358 HydrophobicContact CG-CZ 3.75Å; K327-F358 PolarHBondContact NZ-O 3.37Å; K327-N361 VanDerWaalsContact CE-O 3.24Å; K327-N361 WeakPolarHBondContact CE-O 3.4Å; K327-N361 PolarHBondContact NZ-O 3.43Å; K327-V363 HydrophobicContact CD-CG2 4.49Å; K327-V363 HydrophobicContact CG-CB 4.37Å; K327-V363 HydrophobicContact CG-CG2 3.72Å
328	L	86.6	Confident	83.5	Confident	68 Å²	68	67.9 Å²	67.9	36%	0.356	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.8	179.9	-58.4	175.9	0	0	0	108.9	A326 V336 T337 W341 L350	A326-L328 WeakPolarHBondContact CB-O 3.42Å; L328-V336 WeakPolarHBondContact CA-O 3.47Å; L328-T337 HydrophobicContact CD2-CG2 4.19Å; L328-W341 HydrophobicContact CD2-CE3 4.45Å; L328-W341 HydrophobicContact CD2-CZ3 4.5Å; L328-L350 HydrophobicContact CD1-CD2 4.43Å; L328-L350 HydrophobicContact CD2-CD2 4.03Å
329	A	84.3	Confident	83.3	Confident	36 Å²	36	74.6 Å²	74.6	30%	0.298	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	158.2	169.1	0	0	0	0	0	109.8	V336 T338	A329-V336 PolarHBondContact N-O 2.81Å; A329-V336 PolarHBondContact O-N 3.45Å; A329-T338 HydrophobicContact CB-CG2 3.89Å
330	W	81.4	Confident	83.5	Confident	197 Å²	197	72.9 Å²	72.9	75%	0.746	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	119	173	-68	94.3	0	0	0	109.2	T335	W330-T335 HydrophobicContact CD2-CG2 3.95Å; W330-T335 HydrophobicContact CE3-CG2 3.76Å; W330-T335 HydrophobicContact CH2-CG2 3.47Å; W330-T335 VanDerWaalsContact CH2-CG2 3.47Å; W330-T335 HydrophobicContact CZ2-CG2 3.65Å; W330-T335 HydrophobicContact CZ3-CG2 3.53Å
331	E	81.8	Confident	84	Confident	146 Å²	146	69.8 Å²	69.8	68%	0.682	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	94.2	175.1	-163.1	158.7	-151	0	0	107.6	E334 V336	E331-E334 PolarHBondContact N-O 3.15Å; E331-E334 PolarHBondContact O-N 3.12Å; E331-V336 HydrophobicContact CB-CB 4.48Å; E331-V336 HydrophobicContact CB-CG2 3.8Å
332	G	82.6	Confident	84.6	Confident	68 Å²	68	69 Å²	69	70%	0.701	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	-129.2	-162.7	0	0	0	0	0	111.5
333	N	85.4	Confident	84.7	Confident	162 Å²	162	72.1 Å²	72.1	87%	0.866	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	0	177.8	-78.6	-1.1	0	0	0	113.5
334	E	81.7	Confident	85.2	Confident	146 Å²	146	67.5 Å²	67.5	68%	0.682	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	147.8	-176	-63.6	-170.6	175.8	0	0	112	E331	E331-E334 PolarHBondContact N-O 3.15Å; E331-E334 PolarHBondContact O-N 3.12Å
335	T	82.9	Confident	85.2	Confident	58 Å²	58	64.5 Å²	64.5	36%	0.356	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	109.8	175.6	47.6	0	0	0	0	109.7	W330	W330-T335 HydrophobicContact CD2-CG2 3.95Å; W330-T335 HydrophobicContact CE3-CG2 3.76Å; W330-T335 HydrophobicContact CH2-CG2 3.47Å; W330-T335 VanDerWaalsContact CH2-CG2 3.47Å; W330-T335 HydrophobicContact CZ2-CG2 3.65Å; W330-T335 HydrophobicContact CZ3-CG2 3.53Å
336	V	84.8	Confident	85	Confident	54 Å²	54	67.9 Å²	67.9	33%	0.327	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.6	-178.3	-175.9	0	0	0	0	109.5	L328 A329 E331	L328-V336 WeakPolarHBondContact CA-O 3.47Å; A329-V336 PolarHBondContact N-O 2.81Å; A329-V336 PolarHBondContact O-N 3.45Å; E331-V336 HydrophobicContact CB-CB 4.48Å; E331-V336 HydrophobicContact CB-CG2 3.8Å
337	T	85.1	Confident	84.8	Confident	15 Å²	15	68.8 Å²	68.8	9%	0.092	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.4	174.7	60.3	0	0	0	0	110.7	L328 W341 R348 L350	L328-T337 HydrophobicContact CD2-CG2 4.19Å; T337-W341 HydrophobicContact CG2-CB 4.49Å; T337-W341 HydrophobicContact CG2-CD2 3.88Å; T337-W341 HydrophobicContact CG2-CG 3.81Å; T337-R348 PolarHBondContact OG1-O 3.48Å; T337-L350 HydrophobicContact CG2-CD1 4.41Å; T337-L350 HydrophobicContact CG2-CG 4.16Å
338	T	87.3	Confident	84.5	Confident	13 Å²	13	76 Å²	76	8%	0.08	40%	0.399	C	S	.	.			trans	-72.6	172.6	178.6	62.4	0	0	0	0	112.5	V324 A326 K327 A329 L340 W341	V324-T338 HydrophobicContact CG1-CG2 4.43Å; A326-T338 HydrophobicContact CB-CG2 4.47Å; A326-T338 WeakPolarHBondContact O-CB 3.31Å; A326-T338 WeakPolarHBondContact O-CG2 3.45Å; A326-T338 PolarHBondContact O-OG1 2.81Å; K327-T338 PolarHBondContact O-N 3.13Å; K327-T338 PolarHBondContact O-OG1 3.11Å; A329-T338 HydrophobicContact CB-CG2 3.89Å; T338-L340 PolarHBondContact O-N 3.43Å; T338-L340 PolarHBondContact OG1-N 2.71Å; T338-W341 WeakPolarHBondContact O-CB 3.4Å; T338-W341 PolarHBondContact O-N 3.13Å; T338-W341 PolarHBondContact OG1-N 2.81Å
339	R	85	Confident	84.2	Confident	149 Å²	149	78.5 Å²	78.5	56%	0.562	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-35	168.6	-67.4	-170.2	-169.9	149.1	13.9	112.3	F322 D323 W341 G342 L343	F322-R339 HydrophobicContact CB-CB 3.97Å; D323-R339 IonicContact OD1-NH1 3.81Å; D323-R339 IonicContact OD2-CZ 3.68Å; D323-R339 IonicContact OD2-NE 3.84Å; D323-R339 IonicContact OD2-NH1 2.65Å; D323-R339 PolarHBondContact OD2-NH1 3.13Å; D323-R339 IonicContact OD2-NH2 3.62Å; D323-R339 PolarHBondContact OD2-NH2 3.41Å; R339-W341 VanDerWaalsContact C-N 3.31Å; R339-W341 PolarHBondContact O-N 2.93Å; R339-G342 WeakPolarHBondContact O-CA 3.35Å; R339-G342 PolarHBondContact O-N 2.71Å; R339-L343 PolarHBondContact O-N 3.43Å
340	L	87.6	Confident	83.9	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-37.3	177	178.9	61.2	0	0	0	112.4	L317 F322 T338 G342 L343 F344 F358 V363	L317-L340 HydrophobicContact CD1-CD1 3.97Å; L317-L340 HydrophobicContact CD1-CD2 4.19Å; F322-L340 HydrophobicContact CB-CB 4.17Å; F322-L340 HydrophobicContact CD1-CB 4.46Å; F322-L340 HydrophobicContact CD1-CD1 3.89Å; F322-L340 HydrophobicContact CD2-CB 4.12Å; F322-L340 HydrophobicContact CD2-CD1 4.43Å; F322-L340 HydrophobicContact CD2-CD2 4.41Å; F322-L340 HydrophobicContact CE1-CD1 3.77Å; F322-L340 HydrophobicContact CE2-CD1 4.35Å; F322-L340 HydrophobicContact CE2-CD2 4.24Å; F322-L340 HydrophobicContact CG-CB 4Å; F322-L340 HydrophobicContact CG-CD1 4.22Å; F322-L340 HydrophobicContact CZ-CD1 4.03Å; T338-L340 PolarHBondContact O-N 3.43Å; T338-L340 PolarHBondContact OG1-N 2.71Å; L340-G342 VanDerWaalsContact C-N 3.3Å; L340-G342 PolarHBondContact O-N 3.04Å; L340-L343 PolarHBondContact O-N 3.09Å; L340-L343 VanDerWaalsContact O-N 3.15Å; L340-F344 HydrophobicContact CD1-CD2 3.91Å; L340-F344 HydrophobicContact CD1-CE2 3.69Å; L340-F358 HydrophobicContact CG-CE2 4.27Å; L340-V363 HydrophobicContact CD2-CG1 4.08Å; L340-V363 HydrophobicContact CD2-CG2 4.05Å
341	W	87.8	Confident	83.8	Confident	31 Å²	31	79.6 Å²	79.6	12%	0.117	43%	0.427	C	S	.	.	H	α-helix	trans	-58.3	-42.7	172.1	-174.4	-81.6	0	0	0	111.7	K327 L328 T337 T338 R339 L343 F344 C345 S347 L349 F358	K327-W341 HydrophobicContact CB-CE3 4.18Å; K327-W341 HydrophobicContact CB-CZ3 4.46Å; L328-W341 HydrophobicContact CD2-CE3 4.45Å; L328-W341 HydrophobicContact CD2-CZ3 4.5Å; T337-W341 HydrophobicContact CG2-CB 4.49Å; T337-W341 HydrophobicContact CG2-CD2 3.88Å; T337-W341 HydrophobicContact CG2-CG 3.81Å; T338-W341 WeakPolarHBondContact O-CB 3.4Å; T338-W341 PolarHBondContact O-N 3.13Å; T338-W341 PolarHBondContact OG1-N 2.81Å; R339-W341 VanDerWaalsContact C-N 3.31Å; R339-W341 PolarHBondContact O-N 2.93Å; W341-L343 PolarHBondContact O-N 2.95Å; W341-L343 VanDerWaalsContact O-N 3.16Å; W341-F344 PolarHBondContact O-N 3.34Å; W341-C345 VanDerWaalsContact CE2-SG 3.54Å; W341-C345 HydrophobicContact CG-CB 4.36Å; W341-C345 VanDerWaalsContact O-CB 3.22Å; W341-C345 WeakPolarHBondContact O-CB 3.38Å; W341-C345 PolarHBondContact O-N 2.94Å; W341-C345 PolarHBondContact O-SG 3.05Å; W341-S347 PolarHBondContact NE1-O 3.06Å; W341-L349 PolarHBondContact NE1-O 2.84Å; W341-F358 HydrophobicContact CD2-CE1 4.46Å; W341-F358 AromaticContact CE3-CE1 3.95Å; W341-F358 HydrophobicContact CE3-CE1 3.95Å; W341-F358 HydrophobicContact CE3-CZ 4.35Å; W341-F358 HydrophobicContact CZ3-CE1 4.33Å
342	G	84.4	Confident	83.8	Confident	36 Å²	36	73.5 Å²	73.5	37%	0.371	40%	0.402	S	S	.	.	H	α-helix	trans	-69.5	-4.2	178	0	0	0	0	0	115.7	R339 L340	R339-G342 WeakPolarHBondContact O-CA 3.35Å; R339-G342 PolarHBondContact O-N 2.71Å; L340-G342 VanDerWaalsContact C-N 3.3Å; L340-G342 PolarHBondContact O-N 3.04Å
343	L	84.8	Confident	83.9	Confident	70 Å²	70	75.4 Å²	75.4	37%	0.366	40%	0.4	S	S	.	.	H	α-helix	trans	-100.3	-11.7	173.9	-61.2	172.5	0	0	0	112.9	F322 R339 L340 W341 P413	F322-L343 HydrophobicContact CD1-CD1 3.91Å; R339-L343 PolarHBondContact O-N 3.43Å; L340-L343 PolarHBondContact O-N 3.09Å; L340-L343 VanDerWaalsContact O-N 3.15Å; W341-L343 PolarHBondContact O-N 2.95Å; W341-L343 VanDerWaalsContact O-N 3.16Å; L343-P413 HydrophobicContact CB-CG 4.07Å; L343-P413 HydrophobicContact CD1-CB 4.42Å; L343-P413 HydrophobicContact CD1-CG 3.99Å
344	F	86.5	Confident	83.8	Confident	7 Å²	7	69.3 Å²	69.3	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-126	1.4	-179.7	-73.1	-81.5	0	0	0	113.4	L312 L317 L340 W341 C354 D355 F358 H412 P413 Y414	L312-F344 HydrophobicContact CD2-CE1 4.36Å; L312-F344 HydrophobicContact CD2-CZ 4.31Å; L317-F344 HydrophobicContact CD2-CE2 3.94Å; L317-F344 HydrophobicContact CD2-CZ 3.7Å; L340-F344 HydrophobicContact CD1-CD2 3.91Å; L340-F344 HydrophobicContact CD1-CE2 3.69Å; W341-F344 PolarHBondContact O-N 3.34Å; F344-C354 CarbonylContact O-C 3.56Å; F344-C354 VanDerWaalsContact O-CA 3.28Å; F344-C354 WeakPolarHBondContact O-CA 3.27Å; F344-D355 HydrophobicContact CD1-CB 4.29Å; F344-D355 PolarHBondContact O-N 3.48Å; F344-F358 HydrophobicContact CB-CB 3.92Å; F344-F358 HydrophobicContact CB-CD1 3.78Å; F344-F358 HydrophobicContact CB-CD2 3.68Å; F344-F358 HydrophobicContact CB-CE1 4.18Å; F344-F358 HydrophobicContact CB-CE2 4.09Å; F344-F358 HydrophobicContact CB-CG 3.51Å; F344-F358 HydrophobicContact CB-CZ 4.31Å; F344-F358 HydrophobicContact CD1-CB 4.02Å; F344-F358 HydrophobicContact CD1-CD2 4.17Å; F344-F358 HydrophobicContact CD1-CG 4.28Å; F344-F358 AromaticContact CD2-CD2 3.66Å; F344-F358 HydrophobicContact CD2-CD2 3.66Å; F344-F358 AromaticContact CD2-CE2 3.83Å; F344-F358 HydrophobicContact CD2-CE2 3.83Å; F344-F358 HydrophobicContact CD2-CG 4.37Å; F344-F358 HydrophobicContact CE2-CD2 4.34Å; F344-F358 HydrophobicContact CG-CB 4.06Å; F344-F358 AromaticContact CG-CD2 3.56Å; F344-F358 HydrophobicContact CG-CD2 3.56Å; F344-F358 HydrophobicContact CG-CE2 4.1Å; F344-F358 AromaticContact CG-CG 3.82Å; F344-F358 HydrophobicContact CG-CG 3.82Å; F344-H412 AromaticContact CD1-CD2 3.43Å; F344-H412 VanDerWaalsContact CD1-CD2 3.43Å; F344-H412 WeakPolarHBondContact CD1-CD2 3.48Å; F344-H412 HydrophobicContact CE1-CB 4.09Å; F344-H412 AromaticContact CE1-CD2 3.45Å; F344-H412 VanDerWaalsContact CE1-CD2 3.45Å; F344-H412 WeakPolarHBondContact CE1-CD2 3.24Å; F344-H412 HydrophobicContact CZ-CB 4.46Å; F344-P413 HydrophobicContact CE2-CG 3.6Å; F344-P413 HydrophobicContact CZ-CG 3.8Å; F344-Y414 HydrophobicContact CE1-CE1 4.46Å; F344-Y414 AromaticContact CE1-CE2 3.94Å; F344-Y414 HydrophobicContact CE1-CE2 3.94Å; F344-Y414 AromaticContact CE1-CZ 3.75Å; F344-Y414 HydrophobicContact CZ-CE1 4.31Å; F344-Y414 HydrophobicContact CZ-CE2 4.33Å
345	C	86.9	Confident	84	Confident	14 Å²	14	64.4 Å²	64.4	10%	0.095	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-140.1	144	-175.8	-54.5	0	0	0	0	111.9	W341 S347 A352 T353 C354	W341-C345 VanDerWaalsContact CE2-SG 3.54Å; W341-C345 HydrophobicContact CG-CB 4.36Å; W341-C345 VanDerWaalsContact O-CB 3.22Å; W341-C345 WeakPolarHBondContact O-CB 3.38Å; W341-C345 PolarHBondContact O-N 2.94Å; W341-C345 PolarHBondContact O-SG 3.05Å; C345-S347 PolarHBondContact O-N 3.3Å; C345-S347 VanDerWaalsContact O-N 3.07Å; C345-A352 HydrophobicContact CB-CB 4Å; C345-T353 WeakPolarHBondContact CA-O 3.24Å; C345-C354 HydrophobicContact CB-CB 4.01Å; C345-C354 WeakPolarHBondContact CB-SG 3.37Å; C345-C354 WeakPolarHBondContact SG-CB 3.45Å; C345-C354 CovalentContact SG-SG 2.03Å; C345-C354 PolarHBondContact SG-SG 3.39Å
346	S	83.4	Confident	84.1	Confident	85 Å²	85	66.1 Å²	66.1	59%	0.594	35%	0.352	S	S	*	.	S	Bend	trans	-64.9	-13.2	-174.6	59.1	0	0	0	0	115.9	T353	S346-T353 WeakPolarHBondContact CB-OG1 3.43Å; S346-T353 PolarHBondContact N-O 3Å; S346-T353 PolarHBondContact OG-N 3.37Å; S346-T353 PolarHBondContact OG-O 2.78Å; S346-T353 PolarHBondContact OG-OG1 2.89Å
347	S	83.1	Confident	84.1	Confident	47 Å²	47	63.7 Å²	63.7	33%	0.329	34%	0.337	S	S	.	.	S	Bend	trans	-159.1	167.6	171.8	68.4	0	0	0	0	112.3	W341 C345 L349 A352	W341-S347 PolarHBondContact NE1-O 3.06Å; C345-S347 PolarHBondContact O-N 3.3Å; C345-S347 VanDerWaalsContact O-N 3.07Å; S347-L349 PolarHBondContact O-N 3.44Å; S347-L349 VanDerWaalsContact O-N 3.16Å; S347-A352 WeakPolarHBondContact O-CB 3.17Å; S347-A352 WeakPolarHBondContact OG-CB 3.38Å
348	R	80.1	Confident	84.2	Confident	195 Å²	195	63 Å²	63	74%	0.736	33%	0.333	S	S	*	.	S	Bend	trans	-78.3	20.8	174.8	-58.8	-175.5	-172.6	172.6	3.3	114	T337	T337-R348 PolarHBondContact OG1-O 3.48Å
349	L	80.8	Confident	84.2	Confident	119 Å²	119	66.2 Å²	66.2	62%	0.623	35%	0.352	S	S	*	.	S	Bend	trans	-101.4	143.8	174.8	-64.7	170.1	0	0	0	108.6	W341 S347 N351 A352	W341-L349 PolarHBondContact NE1-O 2.84Å; S347-L349 PolarHBondContact O-N 3.44Å; S347-L349 VanDerWaalsContact O-N 3.16Å; L349-N351 PolarHBondContact O-N 2.75Å; L349-N351 VanDerWaalsContact O-N 3.13Å; L349-A352 WeakPolarHBondContact O-CB 3.11Å; L349-A352 PolarHBondContact O-N 2.8Å
350	L	78.9	Confident	84.3	Confident	95 Å²	95	64.7 Å²	64.7	50%	0.497	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.2	177.2	-68.6	101.3	0	0	0	113.1	L328 T337 A352	L328-L350 HydrophobicContact CD1-CD2 4.43Å; L328-L350 HydrophobicContact CD2-CD2 4.03Å; T337-L350 HydrophobicContact CG2-CD1 4.41Å; T337-L350 HydrophobicContact CG2-CG 4.16Å; L350-A352 VanDerWaalsContact C-N 3.3Å
351	N	79.9	Confident	84.4	Confident	162 Å²	162	65 Å²	65	87%	0.866	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	12.1	175.7	-61.7	-4.4	0	0	0	113.3	L349	L349-N351 PolarHBondContact O-N 2.75Å; L349-N351 VanDerWaalsContact O-N 3.13Å
352	A	80.8	Confident	84.5	Confident	18 Å²	18	69.4 Å²	69.4	15%	0.149	37%	0.374	C	S	.	.	S	Bend	trans	-68.2	152.6	179.2	0	0	0	0	0	112.7	C345 S347 L349 L350 C354	C345-A352 HydrophobicContact CB-CB 4Å; S347-A352 WeakPolarHBondContact O-CB 3.17Å; S347-A352 WeakPolarHBondContact OG-CB 3.38Å; L349-A352 WeakPolarHBondContact O-CB 3.11Å; L349-A352 PolarHBondContact O-N 2.8Å; L350-A352 VanDerWaalsContact C-N 3.3Å; A352-C354 PolarHBondContact O-N 3.34Å
353	T	84.4	Confident	84.8	Confident	108 Å²	108	68.9 Å²	68.9	66%	0.663	36%	0.364	S	S	*	.			trans	-74.5	120.5	163.7	55.2	0	0	0	0	108.7	C345 S346	C345-T353 WeakPolarHBondContact CA-O 3.24Å; S346-T353 WeakPolarHBondContact CB-OG1 3.43Å; S346-T353 PolarHBondContact N-O 3Å; S346-T353 PolarHBondContact OG-N 3.37Å; S346-T353 PolarHBondContact OG-O 2.78Å; S346-T353 PolarHBondContact OG-OG1 2.89Å
354	C	84.4	Confident	85.1	Confident	33 Å²	33	68 Å²	68	22%	0.223	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-115.6	160.8	-179.5	-63.1	0	0	0	0	111.3	F344 C345 A352 F358 T359	F344-C354 CarbonylContact O-C 3.56Å; F344-C354 VanDerWaalsContact O-CA 3.28Å; F344-C354 WeakPolarHBondContact O-CA 3.27Å; C345-C354 HydrophobicContact CB-CB 4.01Å; C345-C354 WeakPolarHBondContact CB-SG 3.37Å; C345-C354 WeakPolarHBondContact SG-CB 3.45Å; C345-C354 CovalentContact SG-SG 2.03Å; C345-C354 PolarHBondContact SG-SG 3.39Å; A352-C354 PolarHBondContact O-N 3.34Å; C354-F358 HydrophobicContact CB-CD1 4.36Å; C354-T359 HydrophobicContact CB-CG2 3.64Å
355	D	85.3	Confident	85.3	Confident	43 Å²	43	72 Å²	72	23%	0.23	38%	0.38	C	S	.	.			trans	-54.5	144	170.3	166.6	52.3	0	0	0	112.3	F344 Y357 F358 T359	F344-D355 HydrophobicContact CD1-CB 4.29Å; F344-D355 PolarHBondContact O-N 3.48Å; D355-Y357 PolarHBondContact OD1-N 2.65Å; D355-Y357 WeakPolarHBondContact OD2-CA 3.41Å; D355-Y357 WeakPolarHBondContact OD2-CB 3.19Å; D355-Y357 PolarHBondContact OD2-N 3.15Å; D355-Y357 VanDerWaalsContact OD2-N 3.13Å; D355-F358 HydrophobicContact CB-CB 3.94Å; D355-F358 PolarHBondContact O-N 2.96Å; D355-F358 PolarHBondContact OD2-N 2.99Å; D355-T359 WeakPolarHBondContact O-CG2 3.23Å; D355-T359 PolarHBondContact O-N 2.99Å; D355-T359 PolarHBondContact O-OG1 3.49Å
356	E	84.2	Confident	85.5	Confident	94 Å²	94	73 Å²	73	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-72.2	-33.3	-177.5	-176.2	168.2	-137.5	0	0	112	T359 R360 L402	E356-T359 WeakPolarHBondContact CA-OG1 3.49Å; E356-T359 PolarHBondContact O-OG1 2.92Å; E356-T359 VanDerWaalsContact O-OG1 3.1Å; E356-R360 VanDerWaalsContact CD-NH2 3.3Å; E356-R360 HydrophobicContact CG-CG 4.49Å; E356-R360 VanDerWaalsContact CG-NE 3.3Å; E356-R360 WeakPolarHBondContact O-CB 3.39Å; E356-R360 VanDerWaalsContact O-CD 3.32Å; E356-R360 WeakPolarHBondContact O-CD 3.37Å; E356-R360 WeakPolarHBondContact O-CG 3.38Å; E356-R360 PolarHBondContact O-N 2.89Å; E356-R360 IonicContact OE1-CZ 3.54Å; E356-R360 IonicContact OE1-NE 3.74Å; E356-R360 PolarHBondContact OE1-NE 3.25Å; E356-R360 IonicContact OE1-NH2 3.54Å; E356-R360 PolarHBondContact OE1-NH2 3.06Å; E356-R360 IonicContact OE2-NH2 3.16Å; E356-L402 HydrophobicContact CB-CD2 3.82Å; E356-L402 HydrophobicContact CG-CD2 3.62Å; E356-L402 WeakPolarHBondContact OE2-CD2 3.3Å
357	Y	85.8	Confident	85.9	Confident	3 Å²	3	71.6 Å²	71.6	1%	0.012	37%	0.368	C	S	.	.	H	α-helix	trans	-73.1	-40.8	173.8	-178.1	-90.2	0	0	0	111.3	L312 N314 R315 D355 T359 R360 N361 Y414	L312-Y357 HydrophobicContact CB-CE1 4.33Å; L312-Y357 HydrophobicContact CD2-CD1 3.71Å; L312-Y357 HydrophobicContact CD2-CE1 3.76Å; L312-Y357 HydrophobicContact CG-CD1 4.1Å; L312-Y357 HydrophobicContact CG-CE1 3.7Å; L312-Y357 VanDerWaalsContact O-CE1 3.32Å; L312-Y357 WeakPolarHBondContact O-CE1 3.34Å; L312-Y357 PolarHBondContact O-OH 3.36Å; N314-Y357 PolarHBondContact N-OH 2.77Å; N314-Y357 PolarHBondContact OD1-OH 2.71Å; R315-Y357 HydrophobicContact CB-CE1 4.42Å; R315-Y357 HydrophobicContact CG-CE1 4.09Å; D355-Y357 PolarHBondContact OD1-N 2.65Å; D355-Y357 WeakPolarHBondContact OD2-CA 3.41Å; D355-Y357 WeakPolarHBondContact OD2-CB 3.19Å; D355-Y357 PolarHBondContact OD2-N 3.15Å; D355-Y357 VanDerWaalsContact OD2-N 3.13Å; Y357-T359 PolarHBondContact O-N 3.15Å; Y357-R360 PolarHBondContact O-N 2.85Å; Y357-N361 WeakPolarHBondContact CD2-ND2 3.35Å; Y357-N361 HydrophobicContact CE1-CB 4.26Å; Y357-N361 WeakPolarHBondContact CE2-ND2 3.34Å; Y357-N361 WeakPolarHBondContact O-CB 3.34Å; Y357-N361 PolarHBondContact O-N 3.5Å; Y357-N361 VanDerWaalsContact O-N 3.07Å; Y357-N361 PolarHBondContact O-ND2 3.26Å; Y357-Y414 WeakPolarHBondContact CD1-OH 3.42Å
358	F	87.9	Confident	86.2	Confident	1 Å²	1	69.4 Å²	69.4	0%	0.004	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-36.4	175.2	-177.5	-99.5	0	0	0	113.4	L312 K327 L340 W341 F344 C354 D355 V363	L312-F358 HydrophobicContact CD1-CD2 3.75Å; L312-F358 HydrophobicContact CD1-CE2 4.29Å; L312-F358 HydrophobicContact CD2-CB 4.27Å; L312-F358 HydrophobicContact CD2-CD2 3.89Å; L312-F358 HydrophobicContact CG-CD2 4.5Å; K327-F358 HydrophobicContact CB-CZ 4.33Å; K327-F358 HydrophobicContact CD-CE1 4.13Å; K327-F358 HydrophobicContact CD-CE2 4.47Å; K327-F358 HydrophobicContact CD-CZ 3.95Å; K327-F358 WeakPolarHBondContact CE-O 3.48Å; K327-F358 HydrophobicContact CG-CE1 4.39Å; K327-F358 HydrophobicContact CG-CE2 4.21Å; K327-F358 HydrophobicContact CG-CZ 3.75Å; K327-F358 PolarHBondContact NZ-O 3.37Å; L340-F358 HydrophobicContact CG-CE2 4.27Å; W341-F358 HydrophobicContact CD2-CE1 4.46Å; W341-F358 AromaticContact CE3-CE1 3.95Å; W341-F358 HydrophobicContact CE3-CE1 3.95Å; W341-F358 HydrophobicContact CE3-CZ 4.35Å; W341-F358 HydrophobicContact CZ3-CE1 4.33Å; F344-F358 HydrophobicContact CB-CB 3.92Å; F344-F358 HydrophobicContact CB-CD1 3.78Å; F344-F358 HydrophobicContact CB-CD2 3.68Å; F344-F358 HydrophobicContact CB-CE1 4.18Å; F344-F358 HydrophobicContact CB-CE2 4.09Å; F344-F358 HydrophobicContact CB-CG 3.51Å; F344-F358 HydrophobicContact CB-CZ 4.31Å; F344-F358 HydrophobicContact CD1-CB 4.02Å; F344-F358 HydrophobicContact CD1-CD2 4.17Å; F344-F358 HydrophobicContact CD1-CG 4.28Å; F344-F358 AromaticContact CD2-CD2 3.66Å; F344-F358 HydrophobicContact CD2-CD2 3.66Å; F344-F358 AromaticContact CD2-CE2 3.83Å; F344-F358 HydrophobicContact CD2-CE2 3.83Å; F344-F358 HydrophobicContact CD2-CG 4.37Å; F344-F358 HydrophobicContact CE2-CD2 4.34Å; F344-F358 HydrophobicContact CG-CB 4.06Å; F344-F358 AromaticContact CG-CD2 3.56Å; F344-F358 HydrophobicContact CG-CD2 3.56Å; F344-F358 HydrophobicContact CG-CE2 4.1Å; F344-F358 AromaticContact CG-CG 3.82Å; F344-F358 HydrophobicContact CG-CG 3.82Å; C354-F358 HydrophobicContact CB-CD1 4.36Å; D355-F358 HydrophobicContact CB-CB 3.94Å; D355-F358 PolarHBondContact O-N 2.96Å; D355-F358 PolarHBondContact OD2-N 2.99Å; F358-V363 HydrophobicContact CE2-CG2 4.29Å
359	T	86.9	Confident	86.7	Confident	80 Å²	80	60.1 Å²	60.1	49%	0.491	32%	0.318	S	S	.	.	H	α-helix	trans	-71.7	-44.9	175.4	45.1	0	0	0	0	112	C354 D355 E356 Y357	C354-T359 HydrophobicContact CB-CG2 3.64Å; D355-T359 WeakPolarHBondContact O-CG2 3.23Å; D355-T359 PolarHBondContact O-N 2.99Å; D355-T359 PolarHBondContact O-OG1 3.49Å; E356-T359 WeakPolarHBondContact CA-OG1 3.49Å; E356-T359 PolarHBondContact O-OG1 2.92Å; E356-T359 VanDerWaalsContact O-OG1 3.1Å; Y357-T359 PolarHBondContact O-N 3.15Å
360	R	87.4	Confident	87.1	Confident	118 Å²	118	56.3 Å²	56.3	45%	0.445	30%	0.3	S	S	.	.	H	α-helix	trans	-69.9	-29	-177.2	-69.7	171.3	178.9	-150.1	2.3	115	E356 Y357 V400 G401	E356-R360 VanDerWaalsContact CD-NH2 3.3Å; E356-R360 HydrophobicContact CG-CG 4.49Å; E356-R360 VanDerWaalsContact CG-NE 3.3Å; E356-R360 WeakPolarHBondContact O-CB 3.39Å; E356-R360 VanDerWaalsContact O-CD 3.32Å; E356-R360 WeakPolarHBondContact O-CD 3.37Å; E356-R360 WeakPolarHBondContact O-CG 3.38Å; E356-R360 PolarHBondContact O-N 2.89Å; E356-R360 IonicContact OE1-CZ 3.54Å; E356-R360 IonicContact OE1-NE 3.74Å; E356-R360 PolarHBondContact OE1-NE 3.25Å; E356-R360 IonicContact OE1-NH2 3.54Å; E356-R360 PolarHBondContact OE1-NH2 3.06Å; E356-R360 IonicContact OE2-NH2 3.16Å; Y357-R360 PolarHBondContact O-N 2.85Å; R360-V400 HydrophobicContact CB-CB 4.39Å; R360-V400 HydrophobicContact CB-CG1 4.42Å; R360-G401 PolarHBondContact NH1-O 2.69Å
361	N	88.8	Confident	87.5	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.027	28%	0.277	C	S	.	.	S	Bend	trans	-109.8	146.4	-172.2	-68.1	-83.3	0	0	0	113	K327 Y357 S399 V400	K327-N361 VanDerWaalsContact CE-O 3.24Å; K327-N361 WeakPolarHBondContact CE-O 3.4Å; K327-N361 PolarHBondContact NZ-O 3.43Å; Y357-N361 WeakPolarHBondContact CD2-ND2 3.35Å; Y357-N361 HydrophobicContact CE1-CB 4.26Å; Y357-N361 WeakPolarHBondContact CE2-ND2 3.34Å; Y357-N361 WeakPolarHBondContact O-CB 3.34Å; Y357-N361 PolarHBondContact O-N 3.5Å; Y357-N361 VanDerWaalsContact O-N 3.07Å; Y357-N361 PolarHBondContact O-ND2 3.26Å; N361-S399 WeakPolarHBondContact OD1-CA 3.16Å; N361-V400 PolarHBondContact ND2-O 3.07Å; N361-V400 PolarHBondContact OD1-N 3.5Å
362	N	90.8	Very high	87.9	Confident	124 Å²	124	46 Å²	46	66%	0.663	25%	0.251	S	S	*	.			trans	-79.8	151.1	175.4	-76.7	-18.5	0	0	0	111.9	G313	G313-N362 PolarHBondContact N-O 3.41Å
363	V	90.5	Very high	88.2	Confident	25 Å²	25	49.1 Å²	49.1	15%	0.152	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	133.6	168	175.4	0	0	0	0	108	L311 L312 C325 K327 L340 F358	L311-V363 CarbonylContact O-C 3.58Å; L311-V363 WeakPolarHBondContact O-CA 3.46Å; L312-V363 HydrophobicContact CD1-CG2 3.57Å; C325-V363 VanDerWaalsContact SG-CG1 3.54Å; K327-V363 HydrophobicContact CD-CG2 4.49Å; K327-V363 HydrophobicContact CG-CB 4.37Å; K327-V363 HydrophobicContact CG-CG2 3.72Å; L340-V363 HydrophobicContact CD2-CG1 4.08Å; L340-V363 HydrophobicContact CD2-CG2 4.05Å; F358-V363 HydrophobicContact CE2-CG2 4.29Å
364	T	90.9	Very high	88.2	Confident	52 Å²	52	46.6 Å²	46.6	32%	0.319	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.6	-179.8	55.4	0	0	0	0	110.6	L311 M397	L311-T364 PolarHBondContact N-O 3.23Å; L311-T364 PolarHBondContact O-N 3.23Å; T364-M397 WeakPolarHBondContact OG1-CE 3.41Å
365	E	90.4	Very high	88.2	Confident	91 Å²	91	47 Å²	47	43%	0.425	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.3	173.6	-163.3	156.9	-129.6	0	0	109.7	P308 I309 R319 C325	P308-E365 HydrophobicContact CB-CG 3.67Å; I309-E365 WeakPolarHBondContact O-CA 3.39Å; R319-E365 IonicContact CZ-OE1 3.26Å; R319-E365 VanDerWaalsContact CZ-OE1 3.26Å; R319-E365 IonicContact NH1-OE1 2.73Å; R319-E365 PolarHBondContact NH1-OE1 3.08Å; R319-E365 IonicContact NH2-OE1 2.84Å; R319-E365 PolarHBondContact NH2-OE1 3.36Å; C325-E365 HydrophobicContact CB-CB 3.99Å; C325-E365 HydrophobicContact CB-CG 4.03Å; C325-E365 VanDerWaalsContact CB-OE1 3.27Å; C325-E365 WeakPolarHBondContact CB-OE1 3.44Å
366	I	91.6	Very high	88.4	Confident	34 Å²	34	45.3 Å²	45.3	17%	0.174	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.3	178.6	68.8	166.5	0	0	0	111.2	P308 I309 L311 E481	P308-I366 CarbonylContact C-O 3.47Å; P308-I366 WeakPolarHBondContact CA-O 3.28Å; I309-I366 HydrophobicContact CD1-CD1 4.15Å; I309-I366 HydrophobicContact CD1-CG1 3.95Å; I309-I366 HydrophobicContact CG1-CD1 4.29Å; I309-I366 HydrophobicContact CG1-CG1 3.55Å; I309-I366 PolarHBondContact N-O 2.94Å; I309-I366 PolarHBondContact O-N 3.07Å; L311-I366 HydrophobicContact CD1-CD1 3.63Å; L311-I366 HydrophobicContact CD1-CG1 4.11Å; L311-I366 HydrophobicContact CG-CD1 4.34Å; L311-I366 HydrophobicContact CG-CG1 4.37Å; I366-E481 HydrophobicContact CD1-CG 4.36Å
367	Q	91.1	Very high	88.7	Confident	56 Å²	56	44.1 Å²	44.1	26%	0.262	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.7	178.4	-168.9	83.4	-24.2	0	0	111.1	P305 N306 I369	P305-Q367 PolarHBondContact O-NE2 3.1Å; N306-Q367 PolarHBondContact OD1-NE2 3.44Å; Q367-I369 VanDerWaalsContact CG-C 3.5Å; Q367-I369 WeakPolarHBondContact CG-O 3.42Å
368	G	89.1	Confident	88.9	Confident	1 Å²	1	52 Å²	52	1%	0.01	29%	0.294	C	S	.	.	S	Bend	trans	-75.4	-22.4	175.9	0	0	0	0	0	114.5	F307 E481	F307-G368 WeakPolarHBondContact O-CA 3.43Å; F307-G368 PolarHBondContact O-N 3.31Å; G368-E481 WeakPolarHBondContact O-CB 3.25Å; G368-E481 PolarHBondContact O-N 3.43Å
369	I	91.1	Very high	88.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	32%	0.319	C	S	.	.			trans	-127.4	87.4	170.2	-58.6	-177.1	0	0	0	108.5	P305 Q367 G371 C479 I480 T501 L502	P305-I369 HydrophobicContact CG-CB 4.11Å; P305-I369 HydrophobicContact CG-CD1 4.02Å; P305-I369 HydrophobicContact CG-CG2 3.86Å; Q367-I369 VanDerWaalsContact CG-C 3.5Å; Q367-I369 WeakPolarHBondContact CG-O 3.42Å; I369-G371 PolarHBondContact O-N 3.18Å; I369-C479 WeakPolarHBondContact CG2-O 3.37Å; I369-I480 HydrophobicContact CD1-CG1 4.49Å; I369-I480 HydrophobicContact CG1-CG1 4.35Å; I369-T501 VanDerWaalsContact CD1-C 3.49Å; I369-T501 WeakPolarHBondContact CD1-O 3.36Å; I369-T501 WeakPolarHBondContact CD1-OG1 3.47Å; I369-L502 HydrophobicContact CD1-CB 4.06Å; I369-L502 HydrophobicContact CD1-CD1 4.47Å; I369-L502 HydrophobicContact CG2-CD1 4.13Å
370	P	89	Confident	89.2	Confident	39 Å²	39	54.2 Å²	54.2	25%	0.253	30%	0.3	S	S	.	.			trans	-74.4	-9.4	172.8	33.2	-37.2	0	0	0	112.6	L376 C479	P370-L376 HydrophobicContact CG-CD2 3.86Å; P370-C479 WeakPolarHBondContact CD-O 3.19Å
371	G	88.1	Confident	89.5	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.291	C	S	.	.			trans	82.9	166.1	172.1	0	0	0	0	0	114.6	S300 I369 A373 S374 C479	S300-G371 WeakPolarHBondContact O-CA 3.5Å; I369-G371 PolarHBondContact O-N 3.18Å; G371-A373 PolarHBondContact O-N 3.49Å; G371-A373 VanDerWaalsContact O-N 3.08Å; G371-S374 VanDerWaalsContact O-CB 3.28Å; G371-S374 WeakPolarHBondContact O-CB 3.27Å; G371-S374 PolarHBondContact O-N 3.13Å; G371-S374 VanDerWaalsContact O-N 3.09Å; G371-S374 PolarHBondContact O-OG 3.4Å; G371-C479 PolarHBondContact N-O 2.9Å
372	A	86.9	Confident	89.7	Confident	40 Å²	40	58.9 Å²	58.9	33%	0.331	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-59	-25.7	-169.3	0	0	0	0	0	115.1	S300 A301 S374	S300-A372 PolarHBondContact OG-N 2.71Å; A301-A372 HydrophobicContact CB-CB 4.27Å; A372-S374 VanDerWaalsContact C-N 3.31Å; A372-S374 PolarHBondContact O-N 3.01Å
373	A	87.6	Confident	89.8	Confident	83 Å²	83	54.5 Å²	54.5	69%	0.686	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-78.7	-10.8	-179.1	0	0	0	0	0	114.1	G371 G375	G371-A373 PolarHBondContact O-N 3.49Å; G371-A373 VanDerWaalsContact O-N 3.08Å; A373-G375 VanDerWaalsContact C-N 3.32Å; A373-G375 PolarHBondContact O-N 2.93Å
374	S	84.1	Confident	89.8	Confident	56 Å²	56	54 Å²	54	39%	0.392	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-70.5	-17.6	-171.2	61.8	0	0	0	0	115.9	G371 A372 L376	G371-S374 VanDerWaalsContact O-CB 3.28Å; G371-S374 WeakPolarHBondContact O-CB 3.27Å; G371-S374 PolarHBondContact O-N 3.13Å; G371-S374 VanDerWaalsContact O-N 3.09Å; G371-S374 PolarHBondContact O-OG 3.4Å; A372-S374 VanDerWaalsContact C-N 3.31Å; A372-S374 PolarHBondContact O-N 3.01Å; S374-L376 VanDerWaalsContact C-N 3.27Å; S374-L376 PolarHBondContact O-N 3.03Å; S374-L376 WeakPolarHBondContact OG-CB 3.33Å; S374-L376 PolarHBondContact OG-N 3.26Å
375	G	85.6	Confident	89.9	Confident	40 Å²	40	55.2 Å²	55.2	41%	0.412	30%	0.297	S	S	.	.			trans	80.1	1.8	-175.3	0	0	0	0	0	115.2	A373 I377 K378	A373-G375 VanDerWaalsContact C-N 3.32Å; A373-G375 PolarHBondContact O-N 2.93Å; G375-I377 PolarHBondContact O-N 3.37Å; G375-K378 PolarHBondContact O-N 2.91Å
376	L	88.2	Confident	89.8	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.042	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-52	-24.2	-179.3	-176.2	72.2	0	0	0	115	P370 S374 K378 E379 N380 I480	P370-L376 HydrophobicContact CG-CD2 3.86Å; S374-L376 VanDerWaalsContact C-N 3.27Å; S374-L376 PolarHBondContact O-N 3.03Å; S374-L376 WeakPolarHBondContact OG-CB 3.33Å; S374-L376 PolarHBondContact OG-N 3.26Å; L376-K378 PolarHBondContact O-N 2.95Å; L376-E379 HydrophobicContact CD1-CB 4.44Å; L376-E379 PolarHBondContact O-N 2.83Å; L376-N380 PolarHBondContact O-N 3.12Å; L376-I480 VanDerWaalsContact CD2-C 3.41Å; L376-I480 VanDerWaalsContact CD2-O 3.24Å; L376-I480 WeakPolarHBondContact CD2-O 3.27Å
377	I	90.7	Very high	89.7	Confident	70 Å²	70	54.3 Å²	54.3	36%	0.359	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-49	-26.6	175.5	-162.2	176.5	0	0	0	113.9	I152 G375 L381 V474 A478	I152-I377 HydrophobicContact CD1-CG1 3.58Å; G375-I377 PolarHBondContact O-N 3.37Å; I377-L381 PolarHBondContact O-N 3.21Å; I377-V474 HydrophobicContact CD1-CG1 4.38Å; I377-A478 HydrophobicContact CB-CB 4.2Å; I377-A478 HydrophobicContact CD1-CB 4.32Å; I377-A478 HydrophobicContact CG1-CB 4.31Å
378	K	90.2	Very high	89.4	Confident	167 Å²	167	57.8 Å²	57.8	73%	0.726	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-73.3	-32	176.2	-67.4	179.3	179.5	175.4	0	113.6	G375 L376	G375-K378 PolarHBondContact O-N 2.91Å; L376-K378 PolarHBondContact O-N 2.95Å
379	E	88.8	Confident	89.1	Confident	113 Å²	113	59 Å²	59	53%	0.528	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-40	-178.1	-59.5	-175	-178	0	0	110.6	L376 L381 R394	L376-E379 HydrophobicContact CD1-CB 4.44Å; L376-E379 PolarHBondContact O-N 2.83Å; E379-L381 VanDerWaalsContact C-N 3.27Å; E379-L381 PolarHBondContact O-N 3.33Å; E379-R394 IonicContact OE2-NH2 2.67Å
380	N	93.4	Very high	88.9	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.08	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	5.6	177.2	-71.6	-27.2	0	0	0	114.4	G151 I152 L376 W382 G477 I480 G482	G151-N380 WeakPolarHBondContact CA-O 3.33Å; I152-N380 HydrophobicContact CD1-CB 4.17Å; I152-N380 WeakPolarHBondContact CG1-O 3.37Å; I152-N380 PolarHBondContact N-O 3.33Å; L376-N380 PolarHBondContact O-N 3.12Å; N380-W382 PolarHBondContact O-N 3.46Å; N380-G477 WeakPolarHBondContact CB-O 3.33Å; N380-G477 PolarHBondContact ND2-O 3.24Å; N380-I480 PolarHBondContact ND2-O 3.36Å; N380-G482 WeakPolarHBondContact OD1-CA 3.3Å
381	L	93.3	Very high	88.8	Confident	52 Å²	52	60.7 Å²	60.7	27%	0.272	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-33.3	-174.5	-168.2	67.1	0	0	0	113.1	I152 M153 I377 E379	I152-L381 PolarHBondContact N-O 3.17Å; M153-L381 HydrophobicContact CG-CD1 3.67Å; M153-L381 HydrophobicContact CG-CG 3.89Å; M153-L381 PolarHBondContact N-O 3.28Å; M153-L381 HydrophobicContact SD-CD1 4.11Å; I377-L381 PolarHBondContact O-N 3.21Å; E379-L381 VanDerWaalsContact C-N 3.27Å; E379-L381 PolarHBondContact O-N 3.33Å
382	W	93.1	Very high	88.9	Confident	170 Å²	170	60.7 Å²	60.7	64%	0.644	33%	0.334	S	S	*	.	S	Bend	trans	-111.2	154.1	-168.6	-58.9	106.5	0	0	0	112.9	N380	N380-W382 PolarHBondContact O-N 3.46Å
383	S	93.2	Very high	89	Confident	32 Å²	32	62.2 Å²	62.2	22%	0.224	33%	0.334	C	S	.	.			trans	-65.4	154.1	178.6	43.5	0	0	0	0	114.1	I149 A150 E154 Y385 R395	I149-S383 WeakPolarHBondContact O-CA 3.12Å; A150-S383 WeakPolarHBondContact O-CA 3.49Å; A150-S383 WeakPolarHBondContact O-CB 3.37Å; E154-S383 VanDerWaalsContact OE1-CB 3.22Å; E154-S383 WeakPolarHBondContact OE1-CB 3.4Å; E154-S383 PolarHBondContact OE1-OG 3.07Å; S383-Y385 VanDerWaalsContact CB-CE2 3.46Å; S383-R395 PolarHBondContact O-NH1 2.91Å; S383-R395 PolarHBondContact O-NH2 3.37Å
384	S	89.8	Confident	89	Confident	15 Å²	15	60.8 Å²	60.8	11%	0.105	31%	0.311	C	S	.	.			trans	-146.3	59.2	-176.7	-63.5	0	0	0	0	109	I149 R395	I149-S384 CarbonylContact O-C 3.6Å; I149-S384 PolarHBondContact O-N 2.9Å; S384-R395 VanDerWaalsContact OG-CZ 3.29Å; S384-R395 PolarHBondContact OG-NH1 3.49Å; S384-R395 VanDerWaalsContact OG-NH1 3.13Å; S384-R395 PolarHBondContact OG-NH2 3.35Å
385	Y	92.3	Very high	88.9	Confident	77 Å²	77	65.8 Å²	65.8	30%	0.302	32%	0.321	S	S	.	.			trans	-61.4	133.5	175.6	-66.5	-66.6	0	0	0	111.3	I149 E154 S383 S421 F423 L426	I149-Y385 HydrophobicContact CG2-CD1 3.71Å; I149-Y385 HydrophobicContact CG2-CE1 3.96Å; E154-Y385 WeakPolarHBondContact OE2-CE2 3.47Å; E154-Y385 PolarHBondContact OE2-OH 3.42Å; S383-Y385 VanDerWaalsContact CB-CE2 3.46Å; Y385-S421 VanDerWaalsContact CD1-O 3.27Å; Y385-S421 WeakPolarHBondContact CD1-O 3.46Å; Y385-F423 WeakPolarHBondContact OH-CA 3.41Å; Y385-F423 WeakPolarHBondContact OH-CB 3.44Å; Y385-L426 HydrophobicContact CE1-CD1 3.89Å
386	L	88.4	Confident	88.5	Confident	28 Å²	28	68 Å²	68	15%	0.147	34%	0.344	C	S	.	.			trans	-125.5	150.4	-176.7	-67.3	170.8	0	0	0	110	I149 V390 V392 S417 T420 S421	I149-L386 HydrophobicContact CD1-CD1 4.25Å; L386-V390 HydrophobicContact CD2-CG1 4.1Å; L386-V392 HydrophobicContact CD1-CG2 4.43Å; L386-S417 WeakPolarHBondContact CB-OG 3.43Å; L386-T420 WeakPolarHBondContact O-CA 3.08Å; L386-S421 PolarHBondContact O-N 3.13Å
387	T	88.9	Confident	88.2	Confident	78 Å²	78	69.5 Å²	69.5	48%	0.479	35%	0.352	S	S	.	.			trans	-92	150	167	48.1	0	0	0	0	110.6	G389 V390 T420	T387-G389 PolarHBondContact O-N 3.31Å; T387-V390 WeakPolarHBondContact O-CB 3.45Å; T387-V390 WeakPolarHBondContact O-CG2 3.19Å; T387-V390 PolarHBondContact O-N 2.94Å; T387-V390 WeakPolarHBondContact OG1-CG2 3.4Å; T387-T420 WeakPolarHBondContact CA-OG1 3.27Å; T387-T420 HydrophobicContact CG2-CG2 3.97Å
388	K	86.3	Confident	87.6	Confident	128 Å²	128	71.6 Å²	71.6	56%	0.557	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	135.8	177.6	-176.1	169.4	-177.3	104.5	0	111.2	S417 D418 T420	K388-S417 CarbonylContact C-O 3.57Å; K388-S417 WeakPolarHBondContact CA-O 3.04Å; K388-D418 WeakPolarHBondContact CD-O 3.32Å; K388-D418 WeakPolarHBondContact CE-O 3.43Å; K388-D418 VanDerWaalsContact CG-O 3.25Å; K388-D418 WeakPolarHBondContact CG-O 3.37Å; K388-D418 PolarHBondContact NZ-O 2.65Å; K388-D418 IonicContact NZ-OD1 3.45Å; K388-D418 PolarHBondContact NZ-OD1 2.91Å; K388-T420 PolarHBondContact N-OG1 2.93Å
389	G	81.8	Confident	87.2	Confident	28 Å²	28	66.1 Å²	66.1	29%	0.289	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	2.1	179.4	0	0	0	0	0	115.8	T387 F416 S417	T387-G389 PolarHBondContact O-N 3.31Å; G389-F416 WeakPolarHBondContact O-CD1 3.49Å; G389-S417 PolarHBondContact N-O 3.47Å
390	V	87.1	Confident	86.8	Confident	61 Å²	61	64.4 Å²	64.4	37%	0.37	35%	0.35	S	S	.	.			trans	-83.6	139.3	173.1	176.7	0	0	0	0	110.7	L386 T387 S417	L386-V390 HydrophobicContact CD2-CG1 4.1Å; T387-V390 WeakPolarHBondContact O-CB 3.45Å; T387-V390 WeakPolarHBondContact O-CG2 3.19Å; T387-V390 PolarHBondContact O-N 2.94Å; T387-V390 WeakPolarHBondContact OG1-CG2 3.4Å; V390-S417 WeakPolarHBondContact O-CB 3.39Å; V390-S417 PolarHBondContact O-N 3.47Å
391	I	87.8	Confident	85.6	Confident	14 Å²	14	66 Å²	66	7%	0.072	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-65.9	139.9	178.6	-54.5	174.6	0	0	0	110.6	R315 E393 V408 Y414 F416	R315-I391 HydrophobicContact CB-CG2 4.04Å; R315-I391 HydrophobicContact CG-CD1 4.38Å; R315-I391 HydrophobicContact CG-CG2 4.06Å; I391-E393 HydrophobicContact CB-CG 4.48Å; I391-E393 HydrophobicContact CG2-CG 4.33Å; I391-E393 PolarHBondContact O-N 3.34Å; I391-V408 HydrophobicContact CD1-CG1 4.06Å; I391-V408 HydrophobicContact CD1-CG2 4.38Å; I391-Y414 HydrophobicContact CD1-CD1 4.35Å; I391-Y414 HydrophobicContact CD1-CD2 4.12Å; I391-Y414 HydrophobicContact CD1-CE2 4.42Å; I391-Y414 HydrophobicContact CD1-CG 4.07Å; I391-Y414 HydrophobicContact CG2-CD1 4.29Å; I391-Y414 HydrophobicContact CG2-CG 4.43Å; I391-F416 HydrophobicContact CG1-CD1 4.03Å; I391-F416 HydrophobicContact CG1-CE1 3.76Å
392	V	89	Confident	84.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.365	C	S	.	.			trans	-77.2	100.6	173.2	-179	0	0	0	0	109.7	T316 L386 V415 V483 R486	T316-V392 WeakPolarHBondContact CB-O 3.49Å; T316-V392 PolarHBondContact N-O 3.32Å; T316-V392 VanDerWaalsContact N-O 3.15Å; T316-V392 PolarHBondContact OG1-O 3.12Å; L386-V392 HydrophobicContact CD1-CG2 4.43Å; V392-V415 HydrophobicContact CB-CB 4.44Å; V392-V415 HydrophobicContact CB-CG1 4.35Å; V392-V415 HydrophobicContact CG2-CG1 4.02Å; V392-V415 PolarHBondContact N-O 2.95Å; V392-V483 HydrophobicContact CG1-CB 4.07Å; V392-V483 HydrophobicContact CG1-CG1 4.1Å; V392-R486 HydrophobicContact CG1-CB 3.9Å
393	E	89.3	Confident	82.8	Confident	71 Å²	71	61 Å²	61	33%	0.332	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-98.9	150.1	-179.8	-60.2	-170.7	147.3	0	0	113.3	N314 R315 I391 R486	N314-E393 PolarHBondContact ND2-OE1 2.66Å; N314-E393 VanDerWaalsContact ND2-OE1 3.14Å; N314-E393 PolarHBondContact ND2-OE2 3.41Å; N314-E393 CarbonylContact O-C 3.57Å; N314-E393 VanDerWaalsContact O-CA 3.24Å; N314-E393 WeakPolarHBondContact O-CA 3.4Å; R315-E393 HydrophobicContact CG-CG 4.15Å; R315-E393 IonicContact NE-OE1 2.71Å; I391-E393 HydrophobicContact CB-CG 4.48Å; I391-E393 HydrophobicContact CG2-CG 4.33Å; I391-E393 PolarHBondContact O-N 3.34Å; E393-R486 VanDerWaalsContact O-CZ 3.31Å; E393-R486 PolarHBondContact O-NH1 2.9Å; E393-R486 PolarHBondContact O-NH2 3.4Å
394	R	88.3	Confident	80.6	Confident	54 Å²	54	67.9 Å²	67.9	20%	0.204	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-92.1	122.7	172.2	-165.3	175.3	-168.2	-127.8	0.3	110.6	L311 N314 E379 M397 E481 V483	L311-R394 HydrophobicContact CD1-CB 4.22Å; N314-R394 PolarHBondContact O-N 3.15Å; E379-R394 IonicContact OE2-NH2 2.67Å; R394-M397 HydrophobicContact CB-CG 3.97Å; R394-M397 HydrophobicContact CG-CG 4.1Å; R394-E481 IonicContact CZ-OE1 3.91Å; R394-E481 IonicContact CZ-OE2 3.67Å; R394-E481 IonicContact NE-OE1 3.56Å; R394-E481 PolarHBondContact NE-OE1 3.03Å; R394-E481 IonicContact NE-OE2 2.83Å; R394-E481 PolarHBondContact NE-OE2 2.76Å; R394-E481 IonicContact NH2-OE1 2.67Å; R394-E481 PolarHBondContact NH2-OE1 2.99Å; R394-E481 IonicContact NH2-OE2 2.92Å; R394-E481 PolarHBondContact NH2-OE2 2.96Å; R394-V483 HydrophobicContact CB-CG1 3.75Å; R394-V483 HydrophobicContact CG-CG1 4.3Å
395	R	82.3	Confident	78.8	Confident	161 Å²	161	70.9 Å²	70.9	61%	0.608	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	144.3	174.1	-65.7	177.6	177.4	158.6	0	109.7	S383 S384 M397	S383-R395 PolarHBondContact O-NH1 2.91Å; S383-R395 PolarHBondContact O-NH2 3.37Å; S384-R395 VanDerWaalsContact OG-CZ 3.29Å; S384-R395 PolarHBondContact OG-NH1 3.49Å; S384-R395 VanDerWaalsContact OG-NH1 3.13Å; S384-R395 PolarHBondContact OG-NH2 3.35Å; R395-M397 VanDerWaalsContact C-N 3.35Å; R395-M397 PolarHBondContact O-N 2.91Å
396	G	76	Confident	77.2	Confident	87 Å²	87	70.3 Å²	70.3	90%	0.897	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-8.9	176.6	0	0	0	0	0	116.5
397	M	82	Confident	75.7	Confident	39 Å²	39	74.8 Å²	74.8	19%	0.192	47%	0.469	C	S	.	.			trans	-75.2	139	170	-70.7	-70.9	-69.8	0	0	110.9	L311 G313 N314 T364 R394 R395	L311-M397 HydrophobicContact CD1-CE 3.9Å; L311-M397 HydrophobicContact CD1-CG 4.18Å; L311-M397 HydrophobicContact CD1-SD 4.25Å; G313-M397 VanDerWaalsContact O-CE 3.29Å; G313-M397 WeakPolarHBondContact O-CE 3.02Å; N314-M397 HydrophobicContact CB-CB 4.12Å; T364-M397 WeakPolarHBondContact OG1-CE 3.41Å; R394-M397 HydrophobicContact CB-CG 3.97Å; R394-M397 HydrophobicContact CG-CG 4.1Å; R395-M397 VanDerWaalsContact C-N 3.35Å; R395-M397 PolarHBondContact O-N 2.91Å
398	P	77.8	Confident	74.5	Confident	114 Å²	114	73.6 Å²	73.6	74%	0.74	46%	0.462	S	S	*	.			trans	-74.7	128.2	172.4	30.2	-33	0	0	0	111
399	S	82.1	Confident	73.5	Confident	51 Å²	51	71.7 Å²	71.7	36%	0.357	46%	0.457	S	S	.	.			trans	-143.8	139.8	178.6	53.9	0	0	0	0	111.6	N314 N361	N314-S399 VanDerWaalsContact CG-OG 3.32Å; N314-S399 WeakPolarHBondContact OD1-CB 3.47Å; N361-S399 WeakPolarHBondContact OD1-CA 3.16Å
400	V	80.3	Confident	72.7	Confident	78 Å²	78	74.3 Å²	74.3	47%	0.473	46%	0.463	S	S	.	.			trans	-91.7	113.1	171.5	-178.4	0	0	0	0	108.3	R360 N361	R360-V400 HydrophobicContact CB-CB 4.39Å; R360-V400 HydrophobicContact CB-CG1 4.42Å; N361-V400 PolarHBondContact ND2-O 3.07Å; N361-V400 PolarHBondContact OD1-N 3.5Å
401	G	69.5	Low	71.7	Confident	47 Å²	47	76.3 Å²	76.3	49%	0.485	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-68.1	161	178.2	0	0	0	0	0	114	R360	R360-G401 PolarHBondContact NH1-O 2.69Å
402	L	68.3	Low	71.2	Confident	38 Å²	38	77.6 Å²	77.6	20%	0.199	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-81.8	170.6	158.2	-66.1	172.2	0	0	0	109.2	E356 T406	E356-L402 HydrophobicContact CB-CD2 3.82Å; E356-L402 HydrophobicContact CG-CD2 3.62Å; E356-L402 WeakPolarHBondContact OE2-CD2 3.3Å; L402-T406 HydrophobicContact CB-CG2 4.31Å; L402-T406 HydrophobicContact CD1-CG2 4.34Å; L402-T406 WeakPolarHBondContact CD1-OG1 3.03Å
403	A	57.9	Low	71	Confident	80 Å²	80	78.6 Å²	78.6	66%	0.661	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-71.2	142.6	168.1	0	0	0	0	0	110.1	G405	A403-G405 PolarHBondContact O-N 3.3Å
404	D	46.6	Very low	70.9	Confident	177 Å²	177	75.6 Å²	75.6	95%	0.947	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	122.2	-179.4	-71.2	-49.5	0	0	0	111.5
405	G	52.7	Low	70.9	Confident	77 Å²	77	73.2 Å²	73.2	79%	0.794	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.2	-2.8	174.5	0	0	0	0	0	116.6	A403 P407	A403-G405 PolarHBondContact O-N 3.3Å; G405-P407 WeakPolarHBondContact O-CD 3.39Å
406	T	58.2	Low	71.1	Confident	65 Å²	65	68 Å²	68	40%	0.399	44%	0.443	S	S	.	.			trans	-63.9	121.3	167.1	53.5	0	0	0	0	109.9	L402 V408	L402-T406 HydrophobicContact CB-CG2 4.31Å; L402-T406 HydrophobicContact CD1-CG2 4.34Å; L402-T406 WeakPolarHBondContact CD1-OG1 3.03Å; T406-V408 PolarHBondContact O-N 3.2Å
407	P	58.1	Low	71.6	Confident	123 Å²	123	64.3 Å²	64.3	80%	0.799	40%	0.403	S	S	*	.			trans	-65.4	126.6	177	27.1	-33.2	0	0	0	109.8	G405 D409	G405-P407 WeakPolarHBondContact O-CD 3.39Å; P407-D409 PolarHBondContact O-N 3.28Å
408	V	63.5	Low	71.6	Confident	53 Å²	53	64.9 Å²	64.9	32%	0.321	41%	0.407	S	S	.	.			trans	-75.5	113.6	168.3	177.2	0	0	0	0	107.3	I391 T406 Y414 F416	I391-V408 HydrophobicContact CD1-CG1 4.06Å; I391-V408 HydrophobicContact CD1-CG2 4.38Å; T406-V408 PolarHBondContact O-N 3.2Å; V408-Y414 HydrophobicContact CG1-CD2 4.47Å; V408-F416 HydrophobicContact CG1-CE1 4.2Å; V408-F416 HydrophobicContact CG1-CZ 4.36Å
409	D	65	Low	71.9	Confident	87 Å²	87	60.9 Å²	60.9	47%	0.465	38%	0.379	S	S	.	.			trans	-70.9	127.8	171.5	-176.8	-0.3	0	0	0	109.9	P407 D411 H412	P407-D409 PolarHBondContact O-N 3.28Å; D409-D411 VanDerWaalsContact C-N 3.31Å; D409-D411 PolarHBondContact O-N 3.41Å; D409-D411 PolarHBondContact OD1-N 3.08Å; D409-H412 PolarHBondContact O-ND1 3.1Å
410	M	65.6	Low	72.2	Confident	84 Å²	84	61.7 Å²	61.7	41%	0.414	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.3	-170.3	-66.7	-75.3	163.2	0	0	113	H412 F416	M410-H412 PolarHBondContact O-N 3.35Å; M410-F416 HydrophobicContact CE-CE1 4.15Å; M410-F416 HydrophobicContact SD-CD1 3.92Å; M410-F416 HydrophobicContact SD-CD2 4.47Å; M410-F416 HydrophobicContact SD-CE1 3.53Å; M410-F416 VanDerWaalsContact SD-CE1 3.53Å; M410-F416 HydrophobicContact SD-CE2 4.14Å; M410-F416 HydrophobicContact SD-CG 4.37Å; M410-F416 HydrophobicContact SD-CZ 3.65Å
411	D	65.4	Low	72.7	Confident	103 Å²	103	58.2 Å²	58.2	55%	0.551	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.3	176.7	-65.9	-21.1	0	0	0	112.6	A242 D409	A242-D411 VanDerWaalsContact CB-OD1 3.24Å; A242-D411 WeakPolarHBondContact CB-OD1 3.33Å; A242-D411 PolarHBondContact N-OD1 3.31Å; D409-D411 VanDerWaalsContact C-N 3.31Å; D409-D411 PolarHBondContact O-N 3.41Å; D409-D411 PolarHBondContact OD1-N 3.08Å
412	H	77.7	Confident	73.7	Confident	41 Å²	41	61.5 Å²	61.5	19%	0.19	36%	0.359	C	S	.	.	S	Bend	trans	-77.1	146.1	172.1	-69.8	96.3	0	0	0	112.4	F344 D409 M410 Y414	F344-H412 AromaticContact CD1-CD2 3.43Å; F344-H412 VanDerWaalsContact CD1-CD2 3.43Å; F344-H412 WeakPolarHBondContact CD1-CD2 3.48Å; F344-H412 HydrophobicContact CE1-CB 4.09Å; F344-H412 AromaticContact CE1-CD2 3.45Å; F344-H412 VanDerWaalsContact CE1-CD2 3.45Å; F344-H412 WeakPolarHBondContact CE1-CD2 3.24Å; F344-H412 HydrophobicContact CZ-CB 4.46Å; D409-H412 PolarHBondContact O-ND1 3.1Å; M410-H412 PolarHBondContact O-N 3.35Å; H412-Y414 HydrophobicContact CB-CD2 3.62Å; H412-Y414 HydrophobicContact CB-CE2 3.7Å; H412-Y414 PolarHBondContact O-N 3.16Å
413	P	83.8	Confident	74.8	Confident	21 Å²	21	62.9 Å²	62.9	14%	0.136	36%	0.364	C	S	.	.	S	Bend	trans	-77.2	53.9	-175.1	35.3	-40.7	0	0	0	113.7	L317 S318 L343 F344	L317-P413 CarbonylContact C-O 3.19Å; L317-P413 VanDerWaalsContact CA-O 3.28Å; L317-P413 WeakPolarHBondContact CA-O 3.45Å; L317-P413 WeakPolarHBondContact CD2-O 3.31Å; S318-P413 PolarHBondContact N-O 2.86Å; L343-P413 HydrophobicContact CB-CG 4.07Å; L343-P413 HydrophobicContact CD1-CB 4.42Å; L343-P413 HydrophobicContact CD1-CG 3.99Å; F344-P413 HydrophobicContact CE2-CG 3.6Å; F344-P413 HydrophobicContact CZ-CG 3.8Å
414	Y	88.1	Confident	76.4	Confident	8 Å²	8	61.1 Å²	61.1	3%	0.031	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-93.3	149.5	171.5	-66.3	-66.7	0	0	0	111.1	L312 R315 L317 F344 Y357 I391 V408 H412 F416	L312-Y414 HydrophobicContact CD2-CE1 4.23Å; R315-Y414 HydrophobicContact CB-CD1 3.96Å; R315-Y414 HydrophobicContact CB-CE1 3.77Å; R315-Y414 HydrophobicContact CG-CE1 4.28Å; R315-Y414 PolarHBondContact NH1-OH 3.02Å; L317-Y414 HydrophobicContact CD2-CD1 3.84Å; L317-Y414 HydrophobicContact CD2-CE1 3.94Å; F344-Y414 HydrophobicContact CE1-CE1 4.46Å; F344-Y414 AromaticContact CE1-CE2 3.94Å; F344-Y414 HydrophobicContact CE1-CE2 3.94Å; F344-Y414 AromaticContact CE1-CZ 3.75Å; F344-Y414 HydrophobicContact CZ-CE1 4.31Å; F344-Y414 HydrophobicContact CZ-CE2 4.33Å; Y357-Y414 WeakPolarHBondContact CD1-OH 3.42Å; I391-Y414 HydrophobicContact CD1-CD1 4.35Å; I391-Y414 HydrophobicContact CD1-CD2 4.12Å; I391-Y414 HydrophobicContact CD1-CE2 4.42Å; I391-Y414 HydrophobicContact CD1-CG 4.07Å; I391-Y414 HydrophobicContact CG2-CD1 4.29Å; I391-Y414 HydrophobicContact CG2-CG 4.43Å; V408-Y414 HydrophobicContact CG1-CD2 4.47Å; H412-Y414 HydrophobicContact CB-CD2 3.62Å; H412-Y414 HydrophobicContact CB-CE2 3.7Å; H412-Y414 PolarHBondContact O-N 3.16Å; Y414-F416 HydrophobicContact CD2-CZ 4.31Å; Y414-F416 WeakPolarHBondContact O-CD2 3.37Å; Y414-F416 WeakPolarHBondContact O-CE2 3.39Å; Y414-F416 PolarHBondContact O-N 3.47Å
415	V	87.7	Confident	78.4	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.018	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-81.8	118	169.9	-177.1	0	0	0	0	109.3	T316 V392 D487 E491 A492	T316-V415 HydrophobicContact CG2-CB 4.45Å; T316-V415 HydrophobicContact CG2-CG2 4.01Å; T316-V415 PolarHBondContact O-N 3.42Å; V392-V415 HydrophobicContact CB-CB 4.44Å; V392-V415 HydrophobicContact CB-CG1 4.35Å; V392-V415 HydrophobicContact CG2-CG1 4.02Å; V392-V415 PolarHBondContact N-O 2.95Å; V415-D487 HydrophobicContact CG1-CB 4.31Å; V415-E491 HydrophobicContact CG2-CB 4.24Å; V415-A492 HydrophobicContact CG2-CB 4.3Å
416	F	86.9	Confident	80.3	Confident	52 Å²	52	50.8 Å²	50.8	23%	0.228	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-104	154.9	-177.4	-64.3	-79.5	0	0	0	112.9	G389 I391 V408 M410 Y414 D418	G389-F416 WeakPolarHBondContact O-CD1 3.49Å; I391-F416 HydrophobicContact CG1-CD1 4.03Å; I391-F416 HydrophobicContact CG1-CE1 3.76Å; V408-F416 HydrophobicContact CG1-CE1 4.2Å; V408-F416 HydrophobicContact CG1-CZ 4.36Å; M410-F416 HydrophobicContact CE-CE1 4.15Å; M410-F416 HydrophobicContact SD-CD1 3.92Å; M410-F416 HydrophobicContact SD-CD2 4.47Å; M410-F416 HydrophobicContact SD-CE1 3.53Å; M410-F416 VanDerWaalsContact SD-CE1 3.53Å; M410-F416 HydrophobicContact SD-CE2 4.14Å; M410-F416 HydrophobicContact SD-CG 4.37Å; M410-F416 HydrophobicContact SD-CZ 3.65Å; Y414-F416 HydrophobicContact CD2-CZ 4.31Å; Y414-F416 WeakPolarHBondContact O-CD2 3.37Å; Y414-F416 WeakPolarHBondContact O-CE2 3.39Å; Y414-F416 PolarHBondContact O-N 3.47Å; F416-D418 PolarHBondContact O-N 3.48Å
417	S	86.7	Confident	81.9	Confident	9 Å²	9	47.9 Å²	47.9	6%	0.063	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-77.5	116.1	174.5	-164.4	0	0	0	0	111.5	L386 K388 G389 V390 M419	L386-S417 WeakPolarHBondContact CB-OG 3.43Å; K388-S417 CarbonylContact C-O 3.57Å; K388-S417 WeakPolarHBondContact CA-O 3.04Å; G389-S417 PolarHBondContact N-O 3.47Å; V390-S417 WeakPolarHBondContact O-CB 3.39Å; V390-S417 PolarHBondContact O-N 3.47Å; S417-M419 PolarHBondContact O-N 3.47Å; S417-M419 PolarHBondContact OG-O 3.12Å
418	D	81.1	Confident	83.4	Confident	51 Å²	51	42.1 Å²	42.1	27%	0.273	22%	0.216	S	C	.	.	S	Bend	trans	-63.6	-35.3	-178.7	173.6	38.8	0	0	0	113.7	K388 F416 K488	K388-D418 WeakPolarHBondContact CD-O 3.32Å; K388-D418 WeakPolarHBondContact CE-O 3.43Å; K388-D418 VanDerWaalsContact CG-O 3.25Å; K388-D418 WeakPolarHBondContact CG-O 3.37Å; K388-D418 PolarHBondContact NZ-O 2.65Å; K388-D418 IonicContact NZ-OD1 3.45Å; K388-D418 PolarHBondContact NZ-OD1 2.91Å; F416-D418 PolarHBondContact O-N 3.48Å; D418-K488 HydrophobicContact CB-CD 4.24Å; D418-K488 WeakPolarHBondContact OD2-CD 3.24Å; D418-K488 IonicContact OD2-NZ 3.49Å; D418-K488 PolarHBondContact OD2-NZ 3.26Å
419	M	85.2	Confident	84.7	Confident	31 Å²	31	39.6 Å²	39.6	15%	0.153	20%	0.201	C	C	.	.	S	Bend	trans	-143.2	152.5	-179.2	78.9	-177.3	80.6	0	0	113	W145 S417 S421 L425 I429 D578	W145-M419 HydrophobicContact CH2-CE 3.81Å; W145-M419 HydrophobicContact CH2-CG 3.96Å; W145-M419 HydrophobicContact CH2-SD 3.67Å; W145-M419 HydrophobicContact CZ2-CE 4.18Å; W145-M419 HydrophobicContact CZ2-CG 4.04Å; W145-M419 HydrophobicContact CZ2-SD 4.29Å; W145-M419 HydrophobicContact CZ3-CE 4.43Å; S417-M419 PolarHBondContact O-N 3.47Å; S417-M419 PolarHBondContact OG-O 3.12Å; M419-S421 PolarHBondContact O-N 2.95Å; M419-S421 PolarHBondContact O-OG 3.35Å; M419-L425 HydrophobicContact SD-CD2 3.82Å; M419-I429 HydrophobicContact SD-CD1 4.24Å; M419-D578 HydrophobicContact CE-CB 3.81Å
420	T	88.9	Confident	86.1	Confident	67 Å²	67	35.5 Å²	35.5	41%	0.411	18%	0.179	S	C	.	.			trans	-69.2	113.7	170.1	-62.4	0	0	0	0	109.9	L386 T387 K388	L386-T420 WeakPolarHBondContact O-CA 3.08Å; T387-T420 WeakPolarHBondContact CA-OG1 3.27Å; T387-T420 HydrophobicContact CG2-CG2 3.97Å; K388-T420 PolarHBondContact N-OG1 2.93Å
421	S	90.1	Very high	87.4	Confident	6 Å²	6	31.5 Å²	31.5	4%	0.042	16%	0.159	C	C	.	.			trans	-104.7	140.6	-171.8	-58.9	0	0	0	0	112.3	W145 Y385 L386 M419	W145-S421 WeakPolarHBondContact CZ2-OG 3.46Å; Y385-S421 VanDerWaalsContact CD1-O 3.27Å; Y385-S421 WeakPolarHBondContact CD1-O 3.46Å; L386-S421 PolarHBondContact O-N 3.13Å; M419-S421 PolarHBondContact O-N 2.95Å; M419-S421 PolarHBondContact O-OG 3.35Å
422	Y	91.2	Very high	88.7	Confident	115 Å²	115	26.9 Å²	26.9	45%	0.451	14%	0.135	S	C	.	.			trans	-152.2	154.8	176.1	50.6	-85.1	0	0	0	109.8	T424 L425 L426	Y422-T424 VanDerWaalsContact C-N 3.29Å; Y422-T424 WeakPolarHBondContact CD2-OG1 3.48Å; Y422-T424 VanDerWaalsContact CE2-OG1 3.31Å; Y422-T424 WeakPolarHBondContact CE2-OG1 3.25Å; Y422-T424 PolarHBondContact O-N 2.97Å; Y422-T424 VanDerWaalsContact O-N 3.09Å; Y422-L425 HydrophobicContact CD1-CB 4.27Å; Y422-L425 HydrophobicContact CD2-CB 3.96Å; Y422-L425 HydrophobicContact CE1-CB 4.03Å; Y422-L425 HydrophobicContact CE1-CD2 4.11Å; Y422-L425 HydrophobicContact CE2-CB 3.71Å; Y422-L425 HydrophobicContact CG-CB 4.23Å; Y422-L425 WeakPolarHBondContact O-CB 3.17Å; Y422-L425 PolarHBondContact O-N 3.33Å; Y422-L426 PolarHBondContact O-N 3.14Å
423	F	90.9	Very high	89.4	Confident	67 Å²	67	25 Å²	25	29%	0.294	13%	0.127	S	C	.	.	H	α-helix	trans	-47	-46.4	-171	-178.1	-100.5	0	0	0	114	E154 M158 Y385 L425 L426 V427	E154-F423 HydrophobicContact CB-CD2 4.29Å; E154-F423 HydrophobicContact CB-CE2 4.19Å; M158-F423 HydrophobicContact CB-CE2 4.19Å; M158-F423 HydrophobicContact CB-CZ 4.31Å; Y385-F423 WeakPolarHBondContact OH-CA 3.41Å; Y385-F423 WeakPolarHBondContact OH-CB 3.44Å; F423-L425 PolarHBondContact O-N 3.25Å; F423-L426 PolarHBondContact O-N 2.92Å; F423-V427 HydrophobicContact CD1-CG2 4.17Å; F423-V427 HydrophobicContact CE1-CG2 3.76Å; F423-V427 HydrophobicContact CZ-CG2 3.99Å; F423-V427 WeakPolarHBondContact O-CG2 3.34Å; F423-V427 PolarHBondContact O-N 3.28Å; F423-V427 VanDerWaalsContact O-N 3.07Å
424	T	90.3	Very high	89.9	Confident	44 Å²	44	24.2 Å²	24.2	27%	0.27	12%	0.121	S	C	.	.	H	α-helix	trans	-74	-24.6	-173.8	78.9	0	0	0	0	113.9	Y422 G428 I635	Y422-T424 VanDerWaalsContact C-N 3.29Å; Y422-T424 WeakPolarHBondContact CD2-OG1 3.48Å; Y422-T424 VanDerWaalsContact CE2-OG1 3.31Å; Y422-T424 WeakPolarHBondContact CE2-OG1 3.25Å; Y422-T424 PolarHBondContact O-N 2.97Å; Y422-T424 VanDerWaalsContact O-N 3.09Å; T424-G428 PolarHBondContact O-N 3.04Å; T424-I635 VanDerWaalsContact CB-O 3.23Å; T424-I635 WeakPolarHBondContact CB-O 3.1Å; T424-I635 HydrophobicContact CG2-CG2 3.62Å; T424-I635 PolarHBondContact OG1-O 3.45Å
425	L	89.1	Confident	90.1	Very high	36 Å²	36	24 Å²	24	19%	0.188	12%	0.121	C	C	.	.	H	α-helix	trans	-67.4	-45.1	169.4	-175.2	67.4	0	0	0	110.5	M419 Y422 F423 V427 G428 I429	M419-L425 HydrophobicContact SD-CD2 3.82Å; Y422-L425 HydrophobicContact CD1-CB 4.27Å; Y422-L425 HydrophobicContact CD2-CB 3.96Å; Y422-L425 HydrophobicContact CE1-CB 4.03Å; Y422-L425 HydrophobicContact CE1-CD2 4.11Å; Y422-L425 HydrophobicContact CE2-CB 3.71Å; Y422-L425 HydrophobicContact CG-CB 4.23Å; Y422-L425 WeakPolarHBondContact O-CB 3.17Å; Y422-L425 PolarHBondContact O-N 3.33Å; F423-L425 PolarHBondContact O-N 3.25Å; L425-V427 VanDerWaalsContact C-N 3.31Å; L425-V427 PolarHBondContact O-N 3.01Å; L425-G428 WeakPolarHBondContact O-CA 3.21Å; L425-G428 PolarHBondContact O-N 2.95Å; L425-I429 HydrophobicContact CD1-CD1 4.43Å; L425-I429 HydrophobicContact CD2-CD1 4.47Å; L425-I429 HydrophobicContact CG-CD1 3.95Å; L425-I429 WeakPolarHBondContact O-CG1 3.34Å; L425-I429 PolarHBondContact O-N 3.03Å
426	L	92	Very high	90.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-37.3	179	-59	-179.5	0	0	0	111.7	W145 V146 I149 A150 M158 Y385 Y422 F423 G428 I429 Y430	W145-L426 HydrophobicContact CE3-CD2 4.18Å; W145-L426 HydrophobicContact CH2-CD2 3.75Å; W145-L426 HydrophobicContact CZ3-CD2 3.39Å; V146-L426 HydrophobicContact CG2-CD2 4.48Å; I149-L426 HydrophobicContact CB-CD1 4.35Å; I149-L426 HydrophobicContact CG2-CD1 3.98Å; A150-L426 HydrophobicContact CB-CD1 3.8Å; M158-L426 HydrophobicContact CE-CB 3.95Å; M158-L426 HydrophobicContact SD-CB 3.88Å; Y385-L426 HydrophobicContact CE1-CD1 3.89Å; Y422-L426 PolarHBondContact O-N 3.14Å; F423-L426 PolarHBondContact O-N 2.92Å; L426-G428 VanDerWaalsContact C-N 3.33Å; L426-G428 PolarHBondContact O-N 3.4Å; L426-I429 PolarHBondContact O-N 3.09Å; L426-Y430 WeakPolarHBondContact O-CB 3.37Å; L426-Y430 PolarHBondContact O-N 2.69Å
427	V	91.9	Very high	90.5	Very high	5 Å²	5	22 Å²	22	3%	0.03	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-43.6	171.9	174.5	0	0	0	0	111	M158 F423 L425 Y430 F431 L632	M158-V427 HydrophobicContact CG-CG2 3.99Å; M158-V427 HydrophobicContact SD-CB 4.31Å; M158-V427 HydrophobicContact SD-CG2 3.73Å; M158-V427 PolarHBondContact SD-N 2.79Å; M158-V427 VanDerWaalsContact SD-N 3.43Å; F423-V427 HydrophobicContact CD1-CG2 4.17Å; F423-V427 HydrophobicContact CE1-CG2 3.76Å; F423-V427 HydrophobicContact CZ-CG2 3.99Å; F423-V427 WeakPolarHBondContact O-CG2 3.34Å; F423-V427 PolarHBondContact O-N 3.28Å; F423-V427 VanDerWaalsContact O-N 3.07Å; L425-V427 VanDerWaalsContact C-N 3.31Å; L425-V427 PolarHBondContact O-N 3.01Å; V427-Y430 PolarHBondContact O-N 2.67Å; V427-F431 WeakPolarHBondContact O-CB 3.35Å; V427-F431 PolarHBondContact O-N 3.46Å; V427-L632 HydrophobicContact CG1-CD2 3.68Å
428	G	89.8	Confident	90.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-67.6	-31.7	177.5	0	0	0	0	0	114.7	T424 L425 L426 A581 S585	T424-G428 PolarHBondContact O-N 3.04Å; L425-G428 WeakPolarHBondContact O-CA 3.21Å; L425-G428 PolarHBondContact O-N 2.95Å; L426-G428 VanDerWaalsContact C-N 3.33Å; L426-G428 PolarHBondContact O-N 3.4Å; G428-A581 CarbonylContact O-C 3.56Å; G428-S585 PolarHBondContact O-OG 3.31Å; G428-S585 VanDerWaalsContact O-OG 3.1Å
429	I	91.8	Very high	90.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-79.7	-34.2	175.3	-66.1	169.1	0	0	0	111.5	I138 R142 W145 M419 L425 L426 P432 D578	I138-I429 HydrophobicContact CD1-CG2 4.32Å; I138-I429 WeakPolarHBondContact CD1-O 3.46Å; R142-I429 HydrophobicContact CG-CG2 4.46Å; W145-I429 HydrophobicContact CZ3-CD1 4.21Å; M419-I429 HydrophobicContact SD-CD1 4.24Å; L425-I429 HydrophobicContact CD1-CD1 4.43Å; L425-I429 HydrophobicContact CD2-CD1 4.47Å; L425-I429 HydrophobicContact CG-CD1 3.95Å; L425-I429 WeakPolarHBondContact O-CG1 3.34Å; L425-I429 PolarHBondContact O-N 3.03Å; L426-I429 PolarHBondContact O-N 3.09Å; I429-P432 VanDerWaalsContact O-CD 3.31Å; I429-P432 WeakPolarHBondContact O-CD 3.41Å; I429-D578 HydrophobicContact CD1-CB 4.13Å
430	Y	93.5	Very high	90.6	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-79.5	-40.6	-178.7	178.4	-94.5	0	0	0	113.1	I138 L143 M158 V159 C162 L426 V427 P432 S433 V434 Y469	I138-Y430 HydrophobicContact CG2-CD2 4.26Å; L143-Y430 HydrophobicContact CD1-CD2 4.3Å; L143-Y430 HydrophobicContact CD1-CE2 3.98Å; M158-Y430 HydrophobicContact CG-CD1 4.23Å; M158-Y430 HydrophobicContact CG-CG 4.42Å; V159-Y430 HydrophobicContact CB-CE1 4.42Å; V159-Y430 HydrophobicContact CG2-CE1 3.99Å; V159-Y430 HydrophobicContact CG2-CE2 3.95Å; C162-Y430 HydrophobicContact CB-CD1 4.18Å; C162-Y430 HydrophobicContact CB-CE1 3.94Å; L426-Y430 WeakPolarHBondContact O-CB 3.37Å; L426-Y430 PolarHBondContact O-N 2.69Å; V427-Y430 PolarHBondContact O-N 2.67Å; Y430-P432 VanDerWaalsContact C-N 3.31Å; Y430-P432 WeakPolarHBondContact O-CD 3.34Å; Y430-P432 VanDerWaalsContact O-N 3.08Å; Y430-S433 WeakPolarHBondContact CE1-OG 3.42Å; Y430-S433 VanDerWaalsContact CE2-OG 3.22Å; Y430-S433 WeakPolarHBondContact CE2-OG 3.28Å; Y430-S433 VanDerWaalsContact O-CB 3.28Å; Y430-S433 WeakPolarHBondContact O-CB 3.34Å; Y430-S433 PolarHBondContact O-N 2.82Å; Y430-S433 PolarHBondContact O-OG 3.1Å; Y430-S433 PolarHBondContact OH-OG 3.27Å; Y430-V434 HydrophobicContact CE1-CG1 4.04Å; Y430-Y469 WeakPolarHBondContact OH-CB 3.36Å; Y430-Y469 VanDerWaalsContact OH-CG 3.3Å
431	F	93.6	Very high	90.5	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-50	-34.6	-173.6	-175.4	-92.6	0	0	0	116.3	C162 V427 S433 V434 T435 F588 L589 Y592 L632	C162-F431 HydrophobicContact CB-CD2 4.34Å; V427-F431 WeakPolarHBondContact O-CB 3.35Å; V427-F431 PolarHBondContact O-N 3.46Å; F431-S433 PolarHBondContact O-N 3.02Å; F431-S433 VanDerWaalsContact O-N 3.08Å; F431-V434 HydrophobicContact CD2-CG2 3.93Å; F431-V434 HydrophobicContact CE2-CG2 3.98Å; F431-V434 HydrophobicContact CG-CG2 4.45Å; F431-V434 WeakPolarHBondContact O-CG2 3.44Å; F431-V434 PolarHBondContact O-N 3.27Å; F431-V434 VanDerWaalsContact O-N 3.08Å; F431-T435 HydrophobicContact CD1-CG2 4.02Å; F431-T435 HydrophobicContact CE1-CG2 3.72Å; F431-F588 HydrophobicContact CE1-CB 4.02Å; F431-L589 HydrophobicContact CD1-CG 4.2Å; F431-L589 HydrophobicContact CD2-CD2 4.18Å; F431-L589 HydrophobicContact CE1-CD2 3.98Å; F431-L589 HydrophobicContact CE1-CG 3.7Å; F431-L589 HydrophobicContact CE2-CD2 3.49Å; F431-L589 VanDerWaalsContact CE2-CD2 3.49Å; F431-L589 HydrophobicContact CE2-CG 4.12Å; F431-L589 HydrophobicContact CZ-CD2 3.38Å; F431-L589 HydrophobicContact CZ-CG 3.66Å; F431-Y592 HydrophobicContact CE1-CE2 4.46Å; F431-Y592 HydrophobicContact CZ-CD2 4.08Å; F431-Y592 HydrophobicContact CZ-CE2 4.01Å; F431-L632 HydrophobicContact CD2-CD1 4.45Å; F431-L632 HydrophobicContact CE2-CD1 4.32Å
432	P	92.6	Very high	90.3	Very high	6 Å²	6	15.5 Å²	15.5	4%	0.039	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-52.2	-32.5	174.5	-26.7	35.7	0	0	0	113.8	M217 I429 Y430 V434 T435 A581 L584 S585	M217-P432 HydrophobicContact CE-CB 3.95Å; M217-P432 HydrophobicContact CE-CG 4.1Å; M217-P432 HydrophobicContact SD-CB 3.98Å; M217-P432 HydrophobicContact SD-CG 4.2Å; I429-P432 VanDerWaalsContact O-CD 3.31Å; I429-P432 WeakPolarHBondContact O-CD 3.41Å; Y430-P432 VanDerWaalsContact C-N 3.31Å; Y430-P432 WeakPolarHBondContact O-CD 3.34Å; Y430-P432 VanDerWaalsContact O-N 3.08Å; P432-V434 PolarHBondContact O-N 3.04Å; P432-T435 WeakPolarHBondContact O-CB 3.34Å; P432-T435 PolarHBondContact O-N 3.37Å; P432-T435 VanDerWaalsContact O-N 3.13Å; P432-T435 PolarHBondContact O-OG1 2.67Å; P432-A581 HydrophobicContact CG-CB 3.97Å; P432-L584 HydrophobicContact CB-CD2 3.85Å; P432-L584 HydrophobicContact CG-CD2 3.92Å; P432-S585 WeakPolarHBondContact CD-OG 3.22Å
433	S	92.2	Very high	89.8	Confident	2 Å²	2	10.2 Å²	10.2	1%	0.014	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-65.2	-17.1	-180	69.3	0	0	0	0	115.4	I134 Y430 F431 Y469	I134-S433 VanDerWaalsContact CG2-O 3.3Å; I134-S433 WeakPolarHBondContact CG2-O 3.38Å; I134-S433 VanDerWaalsContact O-O 3.13Å; Y430-S433 WeakPolarHBondContact CE1-OG 3.42Å; Y430-S433 VanDerWaalsContact CE2-OG 3.22Å; Y430-S433 WeakPolarHBondContact CE2-OG 3.28Å; Y430-S433 VanDerWaalsContact O-CB 3.28Å; Y430-S433 WeakPolarHBondContact O-CB 3.34Å; Y430-S433 PolarHBondContact O-N 2.82Å; Y430-S433 PolarHBondContact O-OG 3.1Å; Y430-S433 PolarHBondContact OH-OG 3.27Å; F431-S433 PolarHBondContact O-N 3.02Å; F431-S433 VanDerWaalsContact O-N 3.08Å; S433-Y469 WeakPolarHBondContact O-CE2 3.41Å; S433-Y469 PolarHBondContact O-OH 2.86Å; S433-Y469 VanDerWaalsContact O-OH 3.06Å
434	V	93.9	Very high	89.4	Confident	3 Å²	3	7.3 Å²	7.3	2%	0.018	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-105	1.6	175.8	-60.2	0	0	0	0	112.9	C162 T166 Y430 F431 P432	C162-V434 HydrophobicContact CB-CG1 4.22Å; C162-V434 HydrophobicContact CB-CG2 3.88Å; T166-V434 HydrophobicContact CG2-CB 4.04Å; T166-V434 HydrophobicContact CG2-CG2 3.69Å; T166-V434 WeakPolarHBondContact CG2-O 3.45Å; Y430-V434 HydrophobicContact CE1-CG1 4.04Å; F431-V434 HydrophobicContact CD2-CG2 3.93Å; F431-V434 HydrophobicContact CE2-CG2 3.98Å; F431-V434 HydrophobicContact CG-CG2 4.45Å; F431-V434 WeakPolarHBondContact O-CG2 3.44Å; F431-V434 PolarHBondContact O-N 3.27Å; F431-V434 VanDerWaalsContact O-N 3.08Å; P432-V434 PolarHBondContact O-N 3.04Å
435	T	92.8	Very high	88.8	Confident	4 Å²	4	6.8 Å²	6.8	3%	0.025	5%	0.049	C	C	.	.			trans	-75.8	-170	178.1	70.3	0	0	0	0	111.8	I134 F431 P432 I437 L584 F588	I134-T435 VanDerWaalsContact CG1-O 3.29Å; I134-T435 WeakPolarHBondContact CG1-O 3.37Å; F431-T435 HydrophobicContact CD1-CG2 4.02Å; F431-T435 HydrophobicContact CE1-CG2 3.72Å; P432-T435 WeakPolarHBondContact O-CB 3.34Å; P432-T435 PolarHBondContact O-N 3.37Å; P432-T435 VanDerWaalsContact O-N 3.13Å; P432-T435 PolarHBondContact O-OG1 2.67Å; T435-I437 VanDerWaalsContact C-N 3.3Å; T435-I437 PolarHBondContact O-N 3.05Å; T435-L584 HydrophobicContact CG2-CD2 4.47Å; T435-F588 HydrophobicContact CG2-CB 3.91Å; T435-F588 HydrophobicContact CG2-CD1 4.26Å; T435-F588 HydrophobicContact CG2-CD2 4.07Å; T435-F588 HydrophobicContact CG2-CG 3.82Å
436	G	89.5	Confident	88.4	Confident	12 Å²	12	8 Å²	8	12%	0.124	6%	0.056	C	C	.	.			trans	81.9	-6.6	179.2	0	0	0	0	0	115.9	M438 A439	G436-M438 PolarHBondContact O-N 3.47Å; G436-A439 WeakPolarHBondContact O-CB 3.09Å; G436-A439 PolarHBondContact O-N 3.27Å
437	I	93.6	Very high	88	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-53.7	-26.2	-176.8	64.5	169	0	0	0	115.2	I134 T169 M173 T435 A439 G440 I462 Y592	I134-I437 HydrophobicContact CD1-CG2 4.43Å; T169-I437 HydrophobicContact CG2-CD1 3.99Å; M173-I437 HydrophobicContact CE-CB 4.48Å; M173-I437 HydrophobicContact CE-CD1 3.99Å; M173-I437 HydrophobicContact CE-CG1 3.93Å; T435-I437 VanDerWaalsContact C-N 3.3Å; T435-I437 PolarHBondContact O-N 3.05Å; I437-A439 PolarHBondContact O-N 3.48Å; I437-G440 PolarHBondContact O-N 2.93Å; I437-I462 HydrophobicContact CB-CD1 4.14Å; I437-I462 HydrophobicContact CG2-CD1 3.61Å; I437-I462 HydrophobicContact CG2-CG1 3.77Å; I437-Y592 HydrophobicContact CD1-CE1 4.21Å; I437-Y592 HydrophobicContact CG1-CE1 4.11Å
438	M	88.9	Confident	87.6	Confident	2 Å²	2	18 Å²	18	1%	0.01	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-68	-17.4	176.9	-72.5	-179.3	168.7	0	0	113.3	M173 I191 V203 F207 G436 G440 S441 N442 C591 Y592 V595	M173-M438 HydrophobicContact CE-CB 4.43Å; M173-M438 HydrophobicContact CE-CG 3.7Å; I191-M438 HydrophobicContact CD1-CE 4.03Å; V203-M438 HydrophobicContact CG1-CE 4.46Å; F207-M438 HydrophobicContact CD1-SD 4.01Å; F207-M438 HydrophobicContact CD2-SD 4.02Å; F207-M438 HydrophobicContact CE1-CB 4.31Å; F207-M438 HydrophobicContact CE1-SD 4.03Å; F207-M438 HydrophobicContact CE2-CB 4.29Å; F207-M438 HydrophobicContact CE2-SD 4.04Å; F207-M438 HydrophobicContact CG-SD 4.02Å; F207-M438 HydrophobicContact CZ-CB 3.83Å; F207-M438 HydrophobicContact CZ-SD 4.05Å; G436-M438 PolarHBondContact O-N 3.47Å; M438-G440 PolarHBondContact O-N 3.47Å; M438-G440 VanDerWaalsContact O-N 3.16Å; M438-S441 PolarHBondContact O-N 3.48Å; M438-S441 PolarHBondContact O-OG 2.97Å; M438-S441 VanDerWaalsContact O-OG 3.04Å; M438-N442 PolarHBondContact O-N 3.25Å; M438-C591 VanDerWaalsContact CE-SG 3.54Å; M438-Y592 HydrophobicContact CE-CD1 4.38Å; M438-Y592 HydrophobicContact CE-CE1 4.36Å; M438-V595 HydrophobicContact CE-CG2 3.97Å
439	A	84.5	Confident	87.4	Confident	6 Å²	6	21.3 Å²	21.3	5%	0.05	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-57.6	-27.2	175.4	0	0	0	0	0	113.6	N133 G436 I437 S441 N442	N133-A439 HydrophobicContact CB-CB 3.78Å; N133-A439 VanDerWaalsContact ND2-CB 3.26Å; N133-A439 WeakPolarHBondContact ND2-CB 3.44Å; G436-A439 WeakPolarHBondContact O-CB 3.09Å; G436-A439 PolarHBondContact O-N 3.27Å; I437-A439 PolarHBondContact O-N 3.48Å; A439-S441 VanDerWaalsContact C-N 3.26Å; A439-S441 PolarHBondContact O-N 3.33Å; A439-N442 WeakPolarHBondContact O-CB 3.46Å; A439-N442 PolarHBondContact O-N 2.85Å
440	G	82.4	Confident	87.1	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-62.6	-28	173.8	0	0	0	0	0	114.4	V126 I437 M438	V126-G440 WeakPolarHBondContact CG1-O 3.35Å; I437-G440 PolarHBondContact O-N 2.93Å; M438-G440 PolarHBondContact O-N 3.47Å; M438-G440 VanDerWaalsContact O-N 3.16Å
441	S	86.6	Confident	86.9	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-98.1	-3.8	176.8	59.9	0	0	0	0	113.8	G186 S187 M438 A439 R443 S444	G186-S441 CarbonylContact C-O 3.21Å; G186-S441 WeakPolarHBondContact CA-O 3.39Å; S187-S441 VanDerWaalsContact CB-OG 3.3Å; S187-S441 WeakPolarHBondContact CB-OG 3.14Å; S187-S441 PolarHBondContact N-O 2.97Å; M438-S441 PolarHBondContact O-N 3.48Å; M438-S441 PolarHBondContact O-OG 2.97Å; M438-S441 VanDerWaalsContact O-OG 3.04Å; A439-S441 VanDerWaalsContact C-N 3.26Å; A439-S441 PolarHBondContact O-N 3.33Å; S441-R443 PolarHBondContact O-N 3.39Å; S441-S444 PolarHBondContact O-N 3.4Å
442	N	85.1	Confident	86.8	Confident	21 Å²	21	31.5 Å²	31.5	11%	0.112	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.6	-175.5	-82.4	-10.7	0	0	0	115.2	P95 Q96 S187 M438 A439	P95-N442 HydrophobicContact CB-CB 3.78Å; Q96-N442 WeakPolarHBondContact CB-O 3.4Å; Q96-N442 PolarHBondContact N-O 2.78Å; S187-N442 WeakPolarHBondContact CB-OD1 3.03Å; S187-N442 PolarHBondContact OG-OD1 3.29Å; M438-N442 PolarHBondContact O-N 3.25Å; A439-N442 WeakPolarHBondContact O-CB 3.46Å; A439-N442 PolarHBondContact O-N 2.85Å
443	R	80.4	Confident	86.7	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.011	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	36.7	169.8	-58.8	-158.5	-153.7	121.8	2.7	113.6	T92 M120 M124 P129 S441 G445 D446	T92-R443 PolarHBondContact O-NE 3.12Å; T92-R443 PolarHBondContact O-NH2 3.39Å; T92-R443 PolarHBondContact OG1-NE 3.07Å; M120-R443 PolarHBondContact SD-NH1 2.9Å; M124-R443 PolarHBondContact O-NH1 3.01Å; P129-R443 VanDerWaalsContact CG-NH2 3.33Å; S441-R443 PolarHBondContact O-N 3.39Å; R443-G445 PolarHBondContact O-N 3.5Å; R443-D446 HydrophobicContact CB-CB 4.44Å; R443-D446 PolarHBondContact O-N 2.78Å; R443-D446 VanDerWaalsContact O-N 3.07Å
444	S	82.2	Confident	86.8	Confident	6 Å²	6	31.5 Å²	31.5	4%	0.042	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-34.2	-173.5	59.8	0	0	0	0	114.6	P183 G185 G186 S441	P183-S444 WeakPolarHBondContact O-CB 3.42Å; P183-S444 PolarHBondContact O-OG 3.23Å; G185-S444 PolarHBondContact N-OG 2.82Å; G186-S444 PolarHBondContact N-OG 3.2Å; S441-S444 PolarHBondContact O-N 3.4Å
445	G	77.6	Confident	86.8	Confident	34 Å²	34	31.5 Å²	31.5	35%	0.351	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-22	-179.5	0	0	0	0	0	116.3	R443	R443-G445 PolarHBondContact O-N 3.5Å
446	D	80.9	Confident	86.9	Confident	61 Å²	61	35.1 Å²	35.1	33%	0.326	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.8	-175.1	-63.2	-35.7	0	0	0	113	Q96 R119 M120 R443	Q96-D446 PolarHBondContact NE2-OD1 3.19Å; Q96-D446 PolarHBondContact NE2-OD2 3.37Å; R119-D446 CarbonylContact C-O 3.5Å; R119-D446 WeakPolarHBondContact CA-O 3.31Å; M120-D446 HydrophobicContact CG-CB 4.42Å; M120-D446 PolarHBondContact N-O 3.1Å; M120-D446 HydrophobicContact SD-CB 4.49Å; R443-D446 HydrophobicContact CB-CB 4.44Å; R443-D446 PolarHBondContact O-N 2.78Å; R443-D446 VanDerWaalsContact O-N 3.07Å
447	L	84.4	Confident	87.1	Confident	8 Å²	8	34.5 Å²	34.5	4%	0.042	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-80.1	144.1	-172.7	-63.8	170	0	0	0	112.1	M120 V126 D449 A450 I454	M120-L447 HydrophobicContact CB-CD2 4.34Å; M120-L447 WeakPolarHBondContact O-CA 3.44Å; V126-L447 HydrophobicContact CG2-CD1 3.76Å; V126-L447 HydrophobicContact CG2-CD2 3.78Å; V126-L447 HydrophobicContact CG2-CG 4.45Å; L447-D449 VanDerWaalsContact C-N 3.32Å; L447-A450 HydrophobicContact CB-CB 4.26Å; L447-A450 HydrophobicContact CD1-CB 4.05Å; L447-I454 HydrophobicContact CD1-CD1 4.22Å; L447-I454 HydrophobicContact CD1-CG1 3.79Å
448	R	82.4	Confident	87.2	Confident	207 Å²	207	34.6 Å²	34.6	78%	0.781	18%	0.175	S	C	*	.	S	Bend	trans	-64.7	-37.7	172.4	-176	175.9	175.9	177.5	-0.9	111.9	R119 M120	R119-R448 HydrophobicContact CB-CB 4.1Å; M120-R448 PolarHBondContact O-N 3.26Å
449	D	85.8	Confident	87.5	Confident	71 Å²	71	36.7 Å²	36.7	38%	0.38	19%	0.186	S	C	.	.			trans	-147.1	96.4	176.5	172.7	-4.1	0	0	0	108.6	L447 Q451 K452 S453	L447-D449 VanDerWaalsContact C-N 3.32Å; D449-Q451 PolarHBondContact OD1-N 3.26Å; D449-Q451 VanDerWaalsContact OD1-N 3.14Å; D449-K452 HydrophobicContact CB-CB 4.46Å; D449-K452 VanDerWaalsContact CG-CB 3.45Å; D449-K452 PolarHBondContact OD1-N 3.43Å; D449-K452 WeakPolarHBondContact OD2-CB 3.49Å; D449-S453 WeakPolarHBondContact O-CB 3.42Å; D449-S453 PolarHBondContact O-N 2.81Å; D449-S453 PolarHBondContact O-OG 3.29Å; D449-S453 VanDerWaalsContact O-OG 3.08Å
450	A	87.3	Confident	88	Confident	14 Å²	14	40.6 Å²	40.6	12%	0.116	21%	0.206	C	C	.	.	H	α-helix	trans	-67.2	-35.6	-178.8	0	0	0	0	0	113	V182 L447 K452 I454	V182-A450 HydrophobicContact CB-CB 4.01Å; V182-A450 HydrophobicContact CG1-CB 4.02Å; V182-A450 HydrophobicContact CG2-CB 4.23Å; L447-A450 HydrophobicContact CB-CB 4.26Å; L447-A450 HydrophobicContact CD1-CB 4.05Å; A450-K452 VanDerWaalsContact C-N 3.32Å; A450-K452 PolarHBondContact O-N 3.06Å; A450-I454 HydrophobicContact CB-CD1 4.08Å; A450-I454 WeakPolarHBondContact O-CB 3.35Å; A450-I454 WeakPolarHBondContact O-CG1 3.35Å; A450-I454 PolarHBondContact O-N 3.21Å
451	Q	88.9	Confident	88.6	Confident	59 Å²	59	40.6 Å²	40.6	28%	0.276	21%	0.206	S	C	.	.	H	α-helix	trans	-65.2	-35	-176.9	-69.8	178	-9.9	0	0	112	G180 V182 D449 P455 R613	G180-Q451 PolarHBondContact O-NE2 3.25Å; V182-Q451 HydrophobicContact CG2-CG 3.78Å; D449-Q451 PolarHBondContact OD1-N 3.26Å; D449-Q451 VanDerWaalsContact OD1-N 3.14Å; Q451-P455 WeakPolarHBondContact O-CD 3.49Å; Q451-P455 WeakPolarHBondContact O-CG 3.35Å; Q451-R613 VanDerWaalsContact CD-NH2 3.33Å
452	K	90.2	Very high	89.1	Confident	142 Å²	142	40.7 Å²	40.7	62%	0.617	21%	0.207	S	C	*	.	H	α-helix	trans	-88.8	-41.5	174.6	-169.4	178.3	-178.8	179.5	0	112.7	D449 A450 T456	D449-K452 HydrophobicContact CB-CB 4.46Å; D449-K452 VanDerWaalsContact CG-CB 3.45Å; D449-K452 PolarHBondContact OD1-N 3.43Å; D449-K452 WeakPolarHBondContact OD2-CB 3.49Å; A450-K452 VanDerWaalsContact C-N 3.32Å; A450-K452 PolarHBondContact O-N 3.06Å; K452-T456 PolarHBondContact O-N 2.83Å; K452-T456 PolarHBondContact O-OG1 2.99Å
453	S	92.1	Very high	89.6	Confident	7 Å²	7	42 Å²	42	5%	0.049	22%	0.22	C	C	.	.	H	α-helix	trans	-68.8	-40.8	-175.2	-72	0	0	0	0	113.3	T122 D449 G457	T122-S453 WeakPolarHBondContact OG1-CB 3.47Å; T122-S453 PolarHBondContact OG1-OG 3.28Å; D449-S453 WeakPolarHBondContact O-CB 3.42Å; D449-S453 PolarHBondContact O-N 2.81Å; D449-S453 PolarHBondContact O-OG 3.29Å; D449-S453 VanDerWaalsContact O-OG 3.08Å; S453-G457 PolarHBondContact O-N 2.93Å
454	I	92.9	Very high	90.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-51.4	-175.7	-65.9	170.4	0	0	0	111.5	V126 A177 V182 M190 L447 A450 T458	V126-I454 HydrophobicContact CG2-CG1 4.37Å; A177-I454 HydrophobicContact CB-CB 4.13Å; A177-I454 HydrophobicContact CB-CD1 4.46Å; A177-I454 HydrophobicContact CB-CG2 3.84Å; V182-I454 HydrophobicContact CG1-CD1 4.33Å; M190-I454 HydrophobicContact SD-CD1 4.16Å; L447-I454 HydrophobicContact CD1-CD1 4.22Å; L447-I454 HydrophobicContact CD1-CG1 3.79Å; A450-I454 HydrophobicContact CB-CD1 4.08Å; A450-I454 WeakPolarHBondContact O-CB 3.35Å; A450-I454 WeakPolarHBondContact O-CG1 3.35Å; A450-I454 PolarHBondContact O-N 3.21Å; I454-T458 WeakPolarHBondContact O-CB 3.32Å; I454-T458 PolarHBondContact O-N 3.49Å; I454-T458 VanDerWaalsContact O-N 3.08Å; I454-T458 PolarHBondContact O-OG1 3.01Å
455	P	94.6	Very high	90.9	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-52	176.7	-26.4	36.5	0	0	0	113.3	S174 T178 Q451 G457 T458 I459 F614	S174-P455 WeakPolarHBondContact OG-CA 3.48Å; S174-P455 WeakPolarHBondContact OG-CB 3.4Å; T178-P455 HydrophobicContact CG2-CG 4.17Å; Q451-P455 WeakPolarHBondContact O-CD 3.49Å; Q451-P455 WeakPolarHBondContact O-CG 3.35Å; P455-G457 PolarHBondContact O-N 3.45Å; P455-T458 PolarHBondContact O-N 2.91Å; P455-I459 WeakPolarHBondContact O-CB 3.4Å; P455-I459 WeakPolarHBondContact O-CG1 3.29Å; P455-I459 PolarHBondContact O-N 3.13Å; P455-F614 HydrophobicContact CB-CD2 4.23Å; P455-F614 HydrophobicContact CB-CE2 3.81Å; P455-F614 HydrophobicContact CB-CZ 4.43Å; P455-F614 HydrophobicContact CG-CD2 4.5Å
456	T	93.7	Very high	91.7	Very high	79 Å²	79	42.9 Å²	42.9	49%	0.485	22%	0.219	S	C	.	.	H	α-helix	trans	-65.2	-43.8	-174.8	-59.4	0	0	0	0	112.1	T122 K452 L460	T122-T456 HydrophobicContact CG2-CG2 4.37Å; K452-T456 PolarHBondContact O-N 2.83Å; K452-T456 PolarHBondContact O-OG1 2.99Å; T456-L460 WeakPolarHBondContact O-CB 3.43Å; T456-L460 PolarHBondContact O-N 2.7Å
457	G	94.6	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.7	-38	-179.5	0	0	0	0	0	113.2	S453 P455 A461	S453-G457 PolarHBondContact O-N 2.93Å; P455-G457 PolarHBondContact O-N 3.45Å; G457-A461 WeakPolarHBondContact O-CB 3.43Å; G457-A461 PolarHBondContact O-N 3.24Å
458	T	95.1	Very high	93	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-72.9	-46.2	-177.6	-51.5	0	0	0	0	111.5	A170 I454 P455 L460 A461 I462	A170-T458 HydrophobicContact CB-CG2 4.24Å; I454-T458 WeakPolarHBondContact O-CB 3.32Å; I454-T458 PolarHBondContact O-N 3.49Å; I454-T458 VanDerWaalsContact O-N 3.08Å; I454-T458 PolarHBondContact O-OG1 3.01Å; P455-T458 PolarHBondContact O-N 2.91Å; T458-L460 PolarHBondContact O-N 3.41Å; T458-A461 PolarHBondContact O-N 2.9Å; T458-I462 HydrophobicContact CG2-CD1 4.11Å; T458-I462 WeakPolarHBondContact O-CG1 3.14Å; T458-I462 PolarHBondContact O-N 2.89Å; T458-I462 VanDerWaalsContact O-N 3.1Å
459	I	95.8	Very high	93.6	Very high	46 Å²	46	33.4 Å²	33.4	24%	0.236	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-41.4	178.3	-67.8	170.4	0	0	0	110.6	M167 P455 I462 A463 F614	M167-I459 HydrophobicContact CE-CG2 4.35Å; M167-I459 HydrophobicContact SD-CG2 4.01Å; P455-I459 WeakPolarHBondContact O-CB 3.4Å; P455-I459 WeakPolarHBondContact O-CG1 3.29Å; P455-I459 PolarHBondContact O-N 3.13Å; I459-I462 PolarHBondContact O-N 2.97Å; I459-A463 WeakPolarHBondContact O-CB 3.17Å; I459-A463 PolarHBondContact O-N 3.09Å; I459-F614 HydrophobicContact CD1-CE1 4.36Å; I459-F614 HydrophobicContact CD1-CZ 3.75Å
460	L	95.5	Very high	94	Very high	89 Å²	89	32.1 Å²	32.1	47%	0.466	19%	0.186	S	C	.	.	H	α-helix	trans	-64.3	-42.3	176.9	-174.4	65	0	0	0	112	Y127 T456 T458 I462 A463 T464	Y127-L460 HydrophobicContact CD2-CB 4.11Å; Y127-L460 HydrophobicContact CD2-CD2 3.96Å; Y127-L460 HydrophobicContact CD2-CG 3.91Å; Y127-L460 HydrophobicContact CE2-CB 4.37Å; Y127-L460 HydrophobicContact CE2-CD2 4.06Å; Y127-L460 HydrophobicContact CE2-CG 3.79Å; T456-L460 WeakPolarHBondContact O-CB 3.43Å; T456-L460 PolarHBondContact O-N 2.7Å; T458-L460 PolarHBondContact O-N 3.41Å; L460-I462 PolarHBondContact O-N 3.48Å; L460-A463 PolarHBondContact O-N 2.88Å; L460-T464 PolarHBondContact O-N 3.01Å; L460-T464 PolarHBondContact O-OG1 3.49Å
461	A	95.3	Very high	94.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-45.3	177.4	0	0	0	0	0	111.9	Y127 C130 L131 I134 G457 T458 A463 T464 T465	Y127-A461 HydrophobicContact CD2-CB 3.87Å; Y127-A461 HydrophobicContact CE2-CB 4.24Å; C130-A461 HydrophobicContact CB-CB 3.71Å; L131-A461 HydrophobicContact CB-CB 4.47Å; I134-A461 HydrophobicContact CD1-CB 4.49Å; G457-A461 WeakPolarHBondContact O-CB 3.43Å; G457-A461 PolarHBondContact O-N 3.24Å; T458-A461 PolarHBondContact O-N 2.9Å; A461-A463 VanDerWaalsContact C-N 3.34Å; A461-A463 PolarHBondContact O-N 2.92Å; A461-T464 PolarHBondContact O-N 3.4Å; A461-T465 WeakPolarHBondContact O-CG2 3.5Å; A461-T465 PolarHBondContact O-N 2.92Å; A461-T465 PolarHBondContact O-OG1 3.33Å
462	I	95.8	Very high	94.7	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-38.3	177.5	-62.2	164.4	0	0	0	111.2	I134 M167 A170 I437 T458 I459 L460 T465 S466	I134-I462 HydrophobicContact CD1-CG1 4.21Å; M167-I462 HydrophobicContact CB-CG2 4.44Å; M167-I462 HydrophobicContact CE-CB 4.07Å; M167-I462 HydrophobicContact CE-CG2 3.76Å; A170-I462 HydrophobicContact CB-CD1 3.39Å; I437-I462 HydrophobicContact CB-CD1 4.14Å; I437-I462 HydrophobicContact CG2-CD1 3.61Å; I437-I462 HydrophobicContact CG2-CG1 3.77Å; T458-I462 HydrophobicContact CG2-CD1 4.11Å; T458-I462 WeakPolarHBondContact O-CG1 3.14Å; T458-I462 PolarHBondContact O-N 2.89Å; T458-I462 VanDerWaalsContact O-N 3.1Å; I459-I462 PolarHBondContact O-N 2.97Å; L460-I462 PolarHBondContact O-N 3.48Å; I462-T465 PolarHBondContact O-OG1 3.03Å; I462-S466 WeakPolarHBondContact O-CB 3.28Å; I462-S466 PolarHBondContact O-N 3.48Å; I462-S466 PolarHBondContact O-OG 3.49Å
463	A	95.7	Very high	94.9	Very high	47 Å²	47	23.9 Å²	23.9	39%	0.388	15%	0.152	S	C	.	.	H	α-helix	trans	-62.6	-45.4	175.1	0	0	0	0	0	111.6	M167 I459 L460 A461 A467	M167-A463 HydrophobicContact CE-CB 4.5Å; I459-A463 WeakPolarHBondContact O-CB 3.17Å; I459-A463 PolarHBondContact O-N 3.09Å; L460-A463 PolarHBondContact O-N 2.88Å; A461-A463 VanDerWaalsContact C-N 3.34Å; A461-A463 PolarHBondContact O-N 2.92Å; A463-A467 WeakPolarHBondContact O-CB 3.33Å; A463-A467 PolarHBondContact O-N 3.3Å
464	T	95.3	Very high	95.1	Very high	44 Å²	44	26 Å²	26	27%	0.27	16%	0.164	S	C	.	.	H	α-helix	trans	-63.3	-48.3	177.1	-60.8	0	0	0	0	112.3	Y127 L131 L460 A461 A467 V468	Y127-T464 PolarHBondContact OH-OG1 3.33Å; L131-T464 HydrophobicContact CD1-CG2 4.14Å; L460-T464 PolarHBondContact O-N 3.01Å; L460-T464 PolarHBondContact O-OG1 3.49Å; A461-T464 PolarHBondContact O-N 3.4Å; T464-A467 PolarHBondContact O-N 3.42Å; T464-V468 WeakPolarHBondContact O-CG2 3.42Å; T464-V468 PolarHBondContact O-N 2.91Å
465	T	95.2	Very high	95.1	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-67.1	-38.6	-179.7	59.1	0	0	0	0	112	L131 I134 F135 A461 I462 A467 V468 Y469	L131-T465 HydrophobicContact CG-CG2 4.46Å; I134-T465 HydrophobicContact CB-CG2 3.9Å; I134-T465 HydrophobicContact CD1-CG2 4.04Å; I134-T465 HydrophobicContact CG2-CG2 3.67Å; F135-T465 HydrophobicContact CD1-CG2 4.26Å; F135-T465 HydrophobicContact CD2-CG2 4.37Å; F135-T465 HydrophobicContact CE1-CG2 3.81Å; F135-T465 HydrophobicContact CE2-CG2 3.95Å; F135-T465 HydrophobicContact CZ-CG2 3.65Å; A461-T465 WeakPolarHBondContact O-CG2 3.5Å; A461-T465 PolarHBondContact O-N 2.92Å; A461-T465 PolarHBondContact O-OG1 3.33Å; I462-T465 PolarHBondContact O-OG1 3.03Å; T465-A467 PolarHBondContact O-N 3.47Å; T465-V468 PolarHBondContact O-N 2.85Å; T465-Y469 WeakPolarHBondContact O-CD2 3.28Å; T465-Y469 PolarHBondContact O-N 3.47Å
466	S	95.3	Very high	95.1	Very high	15 Å²	15	28 Å²	28	11%	0.105	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-43	173.9	-58.9	0	0	0	0	112	C163 I462 V468 Y469 I470	C163-S466 WeakPolarHBondContact CB-OG 3.48Å; C163-S466 PolarHBondContact SG-OG 2.81Å; I462-S466 WeakPolarHBondContact O-CB 3.28Å; I462-S466 PolarHBondContact O-N 3.48Å; I462-S466 PolarHBondContact O-OG 3.49Å; S466-V468 VanDerWaalsContact C-N 3.34Å; S466-V468 PolarHBondContact O-N 2.93Å; S466-Y469 PolarHBondContact O-N 3.33Å; S466-I470 VanDerWaalsContact O-CB 3.32Å; S466-I470 WeakPolarHBondContact O-CB 3.37Å; S466-I470 VanDerWaalsContact O-CG1 3.23Å; S466-I470 WeakPolarHBondContact O-CG1 3.11Å; S466-I470 PolarHBondContact O-N 2.94Å
467	A	95.5	Very high	95.1	Very high	59 Å²	59	24.2 Å²	24.2	49%	0.488	15%	0.151	S	C	.	.	H	α-helix	trans	-63.6	-38.6	176	0	0	0	0	0	112.2	A463 T464 T465 S471	A463-A467 WeakPolarHBondContact O-CB 3.33Å; A463-A467 PolarHBondContact O-N 3.3Å; T464-A467 PolarHBondContact O-N 3.42Å; T465-A467 PolarHBondContact O-N 3.47Å; A467-S471 WeakPolarHBondContact O-CB 3.43Å; A467-S471 PolarHBondContact O-N 3.45Å; A467-S471 PolarHBondContact O-OG 3.01Å
468	V	95.5	Very high	95.1	Very high	18 Å²	18	24.9 Å²	24.9	11%	0.109	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-51.6	174.1	171.4	0	0	0	0	110.9	F135 I290 Y294 T464 T465 S466 I470 S471 S472	F135-V468 HydrophobicContact CE1-CB 4.09Å; F135-V468 HydrophobicContact CE1-CG1 3.88Å; F135-V468 HydrophobicContact CZ-CB 4.05Å; F135-V468 HydrophobicContact CZ-CG1 4.08Å; F135-V468 HydrophobicContact CZ-CG2 4.06Å; I290-V468 HydrophobicContact CG2-CG1 4.31Å; Y294-V468 WeakPolarHBondContact OH-CA 3.26Å; T464-V468 WeakPolarHBondContact O-CG2 3.42Å; T464-V468 PolarHBondContact O-N 2.91Å; T465-V468 PolarHBondContact O-N 2.85Å; S466-V468 VanDerWaalsContact C-N 3.34Å; S466-V468 PolarHBondContact O-N 2.93Å; V468-I470 PolarHBondContact O-N 3.28Å; V468-S471 PolarHBondContact O-N 3.29Å; V468-S471 PolarHBondContact O-OG 2.88Å; V468-S471 VanDerWaalsContact O-OG 3.08Å; V468-S472 WeakPolarHBondContact O-CB 3.3Å; V468-S472 PolarHBondContact O-N 2.99Å; V468-S472 PolarHBondContact O-OG 3.24Å
469	Y	95.3	Very high	95	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-46.4	179.2	-71.1	-56.6	0	0	0	113.1	I134 L139 L143 Y430 S433 T465 S466 S471 S472 V473	I134-Y469 HydrophobicContact CG2-CE2 4.14Å; I134-Y469 PolarHBondContact O-OH 3.09Å; L139-Y469 HydrophobicContact CB-CE1 4.03Å; L139-Y469 HydrophobicContact CD1-CD1 4.02Å; L139-Y469 HydrophobicContact CD1-CE1 3.8Å; L139-Y469 HydrophobicContact CG-CE1 4.36Å; L143-Y469 HydrophobicContact CD2-CD1 4.07Å; Y430-Y469 WeakPolarHBondContact OH-CB 3.36Å; Y430-Y469 VanDerWaalsContact OH-CG 3.3Å; S433-Y469 WeakPolarHBondContact O-CE2 3.41Å; S433-Y469 PolarHBondContact O-OH 2.86Å; S433-Y469 VanDerWaalsContact O-OH 3.06Å; T465-Y469 WeakPolarHBondContact O-CD2 3.28Å; T465-Y469 PolarHBondContact O-N 3.47Å; S466-Y469 PolarHBondContact O-N 3.33Å; Y469-S471 PolarHBondContact O-N 2.87Å; Y469-S472 PolarHBondContact O-N 3.46Å; Y469-V473 WeakPolarHBondContact O-CG2 3.14Å; Y469-V473 PolarHBondContact O-N 2.99Å; Y469-V473 VanDerWaalsContact O-N 3.08Å
470	I	94.9	Very high	94.9	Very high	43 Å²	43	22.6 Å²	22.6	22%	0.221	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-42.8	-179.7	-70.6	170.7	0	0	0	111.2	F156 V159 S466 V468	F156-I470 HydrophobicContact CD2-CG2 3.92Å; F156-I470 HydrophobicContact CE2-CG2 3.47Å; F156-I470 VanDerWaalsContact CE2-CG2 3.47Å; F156-I470 HydrophobicContact CZ-CG2 4.35Å; V159-I470 HydrophobicContact CG1-CD1 4.48Å; V159-I470 HydrophobicContact CG1-CG1 3.58Å; S466-I470 VanDerWaalsContact O-CB 3.32Å; S466-I470 WeakPolarHBondContact O-CB 3.37Å; S466-I470 VanDerWaalsContact O-CG1 3.23Å; S466-I470 WeakPolarHBondContact O-CG1 3.11Å; S466-I470 PolarHBondContact O-N 2.94Å; V468-I470 PolarHBondContact O-N 3.28Å
471	S	95.6	Very high	94.8	Very high	37 Å²	37	18.7 Å²	18.7	26%	0.259	12%	0.124	S	C	.	.	H	α-helix	trans	-70.1	-41.4	177	57.3	0	0	0	0	112.2	Y294 A467 V468 Y469 V473 V474 L475	Y294-S471 PolarHBondContact OH-OG 3.18Å; A467-S471 WeakPolarHBondContact O-CB 3.43Å; A467-S471 PolarHBondContact O-N 3.45Å; A467-S471 PolarHBondContact O-OG 3.01Å; V468-S471 PolarHBondContact O-N 3.29Å; V468-S471 PolarHBondContact O-OG 2.88Å; V468-S471 VanDerWaalsContact O-OG 3.08Å; Y469-S471 PolarHBondContact O-N 2.87Å; S471-V473 VanDerWaalsContact C-N 3.3Å; S471-V473 PolarHBondContact O-N 3.03Å; S471-V474 PolarHBondContact O-N 3.5Å; S471-L475 WeakPolarHBondContact O-CB 3.37Å; S471-L475 WeakPolarHBondContact O-CG 3.35Å; S471-L475 PolarHBondContact O-N 2.87Å
472	S	94.3	Very high	94.6	Very high	5 Å²	5	19 Å²	19	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-56.8	-41.1	175.4	-65.8	0	0	0	0	112.7	V468 Y469 V474 L475 F476	V468-S472 WeakPolarHBondContact O-CB 3.3Å; V468-S472 PolarHBondContact O-N 2.99Å; V468-S472 PolarHBondContact O-OG 3.24Å; Y469-S472 PolarHBondContact O-N 3.46Å; S472-V474 PolarHBondContact O-N 3.49Å; S472-L475 PolarHBondContact O-N 3.01Å; S472-F476 WeakPolarHBondContact O-CB 3.4Å; S472-F476 WeakPolarHBondContact O-CD2 3.14Å; S472-F476 WeakPolarHBondContact O-CG 3.32Å; S472-F476 PolarHBondContact O-N 3.41Å
473	V	95.8	Very high	94.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57	-48.6	176.1	162.6	0	0	0	0	112.2	L143 V147 I152 F156 V159 Y469 S471 G477	L143-V473 HydrophobicContact CD1-CG2 3.94Å; V147-V473 HydrophobicContact CG2-CB 4.18Å; V147-V473 HydrophobicContact CG2-CG1 4.11Å; V147-V473 HydrophobicContact CG2-CG2 3.91Å; I152-V473 HydrophobicContact CG2-CG1 4.36Å; F156-V473 HydrophobicContact CB-CG1 4.48Å; V159-V473 HydrophobicContact CG2-CG2 4.01Å; Y469-V473 WeakPolarHBondContact O-CG2 3.14Å; Y469-V473 PolarHBondContact O-N 2.99Å; Y469-V473 VanDerWaalsContact O-N 3.08Å; S471-V473 VanDerWaalsContact C-N 3.3Å; S471-V473 PolarHBondContact O-N 3.03Å; V473-G477 PolarHBondContact O-N 3.03Å
474	V	94.8	Very high	94.3	Very high	52 Å²	52	16.7 Å²	16.7	32%	0.315	11%	0.109	S	C	.	.	H	α-helix	trans	-69	-41.2	-179.9	179	0	0	0	0	110.9	I152 I377 S471 S472 A478	I152-V474 HydrophobicContact CG2-CG2 4.35Å; I377-V474 HydrophobicContact CD1-CG1 4.38Å; S471-V474 PolarHBondContact O-N 3.5Å; S472-V474 PolarHBondContact O-N 3.49Å; V474-A478 VanDerWaalsContact O-CB 3.28Å; V474-A478 WeakPolarHBondContact O-CB 3.25Å; V474-A478 PolarHBondContact O-N 2.9Å
475	L	94.6	Very high	94.2	Very high	47 Å²	47	14.6 Å²	14.6	25%	0.246	10%	0.096	C	C	.	.	H	α-helix	trans	-71.9	-40.1	-176.2	-65.7	173.7	0	0	0	112.7	Y294 V297 S471 S472 A478 C479	Y294-L475 HydrophobicContact CD1-CD1 3.93Å; Y294-L475 HydrophobicContact CE1-CD1 3.71Å; V297-L475 HydrophobicContact CG1-CB 4.37Å; V297-L475 HydrophobicContact CG1-CD1 4.15Å; V297-L475 HydrophobicContact CG1-CD2 3.82Å; V297-L475 HydrophobicContact CG1-CG 4.31Å; V297-L475 HydrophobicContact CG2-CB 4.18Å; V297-L475 HydrophobicContact CG2-CD1 4.46Å; S471-L475 WeakPolarHBondContact O-CB 3.37Å; S471-L475 WeakPolarHBondContact O-CG 3.35Å; S471-L475 PolarHBondContact O-N 2.87Å; S472-L475 PolarHBondContact O-N 3.01Å; L475-A478 PolarHBondContact O-N 3.32Å; L475-C479 WeakPolarHBondContact O-CB 3.45Å; L475-C479 PolarHBondContact O-N 3.44Å; L475-C479 PolarHBondContact O-SG 2.99Å
476	F	94.7	Very high	94	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-48.3	175.3	-64.2	-18.3	0	0	0	111.1	L143 T144 I293 S472 A478 C479 I480 L485 V499 L502	L143-F476 HydrophobicContact CB-CE2 4.2Å; L143-F476 HydrophobicContact CD2-CE2 3.92Å; L143-F476 HydrophobicContact CG-CD2 4.27Å; L143-F476 HydrophobicContact CG-CE2 3.96Å; T144-F476 HydrophobicContact CG2-CD2 3.73Å; T144-F476 HydrophobicContact CG2-CE2 3.96Å; T144-F476 HydrophobicContact CG2-CG 4.11Å; I293-F476 HydrophobicContact CG2-CE1 3.85Å; I293-F476 HydrophobicContact CG2-CZ 4.41Å; S472-F476 WeakPolarHBondContact O-CB 3.4Å; S472-F476 WeakPolarHBondContact O-CD2 3.14Å; S472-F476 WeakPolarHBondContact O-CG 3.32Å; S472-F476 PolarHBondContact O-N 3.41Å; F476-A478 PolarHBondContact O-N 3.03Å; F476-C479 PolarHBondContact O-N 3.44Å; F476-I480 HydrophobicContact CB-CD1 4.41Å; F476-I480 HydrophobicContact CD1-CD1 4.44Å; F476-I480 PolarHBondContact O-N 3.3Å; F476-L485 HydrophobicContact CB-CD2 4.35Å; F476-V499 HydrophobicContact CE1-CB 4.48Å; F476-V499 HydrophobicContact CE1-CG2 3.68Å; F476-V499 HydrophobicContact CZ-CB 4.26Å; F476-V499 HydrophobicContact CZ-CG2 3.56Å; F476-L502 HydrophobicContact CD1-CD2 4Å; F476-L502 HydrophobicContact CE1-CD2 4.31Å
477	G	93.2	Very high	93.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.8	-20.8	176.9	0	0	0	0	0	114.5	N380 V473	N380-G477 WeakPolarHBondContact CB-O 3.33Å; N380-G477 PolarHBondContact ND2-O 3.24Å; V473-G477 PolarHBondContact O-N 3.03Å
478	A	93.3	Very high	93.2	Very high	13 Å²	13	13.6 Å²	13.6	11%	0.107	8%	0.077	C	C	.	.	H	α-helix	trans	-88.1	-22.8	174.8	0	0	0	0	0	114.3	I377 V474 L475 F476	I377-A478 HydrophobicContact CB-CB 4.2Å; I377-A478 HydrophobicContact CD1-CB 4.32Å; I377-A478 HydrophobicContact CG1-CB 4.31Å; V474-A478 VanDerWaalsContact O-CB 3.28Å; V474-A478 WeakPolarHBondContact O-CB 3.25Å; V474-A478 PolarHBondContact O-N 2.9Å; L475-A478 PolarHBondContact O-N 3.32Å; F476-A478 PolarHBondContact O-N 3.03Å
479	C	93.6	Very high	92.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-107.9	-31.4	-172.1	-58.7	0	0	0	0	114.9	I369 P370 G371 L475 F476 L502	I369-C479 WeakPolarHBondContact CG2-O 3.37Å; P370-C479 WeakPolarHBondContact CD-O 3.19Å; G371-C479 PolarHBondContact N-O 2.9Å; L475-C479 WeakPolarHBondContact O-CB 3.45Å; L475-C479 PolarHBondContact O-N 3.44Å; L475-C479 PolarHBondContact O-SG 2.99Å; F476-C479 PolarHBondContact O-N 3.44Å; C479-L502 HydrophobicContact CB-CD1 3.98Å; C479-L502 HydrophobicContact CB-CD2 4.3Å
480	I	93.6	Very high	92.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-111.3	131.4	-167.8	-55.2	166.8	0	0	0	110.6	T144 I369 L376 N380 F476 V484 L485 V498 L502	T144-I480 HydrophobicContact CG2-CD1 4.39Å; I369-I480 HydrophobicContact CD1-CG1 4.49Å; I369-I480 HydrophobicContact CG1-CG1 4.35Å; L376-I480 VanDerWaalsContact CD2-C 3.41Å; L376-I480 VanDerWaalsContact CD2-O 3.24Å; L376-I480 WeakPolarHBondContact CD2-O 3.27Å; N380-I480 PolarHBondContact ND2-O 3.36Å; F476-I480 HydrophobicContact CB-CD1 4.41Å; F476-I480 HydrophobicContact CD1-CD1 4.44Å; F476-I480 PolarHBondContact O-N 3.3Å; I480-V484 HydrophobicContact CG2-CB 3.93Å; I480-V484 HydrophobicContact CG2-CG1 4.05Å; I480-L485 HydrophobicContact CB-CD1 4.36Å; I480-L485 HydrophobicContact CB-CD2 3.8Å; I480-L485 HydrophobicContact CB-CG 3.89Å; I480-L485 HydrophobicContact CD1-CD2 3.96Å; I480-L485 HydrophobicContact CG1-CD2 4.48Å; I480-L485 HydrophobicContact CG2-CD2 3.84Å; I480-L485 HydrophobicContact CG2-CG 3.8Å; I480-L485 WeakPolarHBondContact O-CD1 3.06Å; I480-V498 HydrophobicContact CD1-CG1 4.21Å; I480-V498 HydrophobicContact CG2-CG1 4.15Å; I480-L502 HydrophobicContact CD1-CB 4.43Å; I480-L502 HydrophobicContact CD1-CD2 3.94Å; I480-L502 HydrophobicContact CG1-CD2 4.2Å
481	E	93.4	Very high	92	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.028	8%	0.084	C	C	.	.			trans	-56.3	137.6	-179.3	177.6	54.1	-128.1	0	0	112.5	I309 I366 G368 R394 V483 V484 L485	I309-E481 HydrophobicContact CD1-CG 4.03Å; I366-E481 HydrophobicContact CD1-CG 4.36Å; G368-E481 WeakPolarHBondContact O-CB 3.25Å; G368-E481 PolarHBondContact O-N 3.43Å; R394-E481 IonicContact CZ-OE1 3.91Å; R394-E481 IonicContact CZ-OE2 3.67Å; R394-E481 IonicContact NE-OE1 3.56Å; R394-E481 PolarHBondContact NE-OE1 3.03Å; R394-E481 IonicContact NE-OE2 2.83Å; R394-E481 PolarHBondContact NE-OE2 2.76Å; R394-E481 IonicContact NH2-OE1 2.67Å; R394-E481 PolarHBondContact NH2-OE1 2.99Å; R394-E481 IonicContact NH2-OE2 2.92Å; R394-E481 PolarHBondContact NH2-OE2 2.96Å; E481-V483 VanDerWaalsContact C-N 3.26Å; E481-V483 HydrophobicContact CG-CG2 3.72Å; E481-V483 PolarHBondContact O-N 3.18Å; E481-V483 VanDerWaalsContact O-N 3.14Å; E481-V484 HydrophobicContact CB-CG2 4.19Å; E481-V484 WeakPolarHBondContact O-CA 3.26Å; E481-V484 WeakPolarHBondContact O-CB 3.25Å; E481-V484 PolarHBondContact O-N 3.49Å; E481-L485 PolarHBondContact O-N 3.38Å
482	G	91.3	Very high	91.6	Very high	6 Å²	6	13.9 Å²	13.9	6%	0.062	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.6	-168.8	0	0	0	0	0	115	N380 R486	N380-G482 WeakPolarHBondContact OD1-CA 3.3Å; G482-R486 PolarHBondContact O-NE 2.94Å; G482-R486 PolarHBondContact O-NH2 3.24Å
483	V	92.1	Very high	91.4	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-37.6	168.8	-71	0	0	0	0	112.2	I309 T316 V392 R394 E481 R486 D487	I309-V483 HydrophobicContact CD1-CG2 3.41Å; I309-V483 VanDerWaalsContact CD1-CG2 3.41Å; T316-V483 HydrophobicContact CG2-CB 4.48Å; T316-V483 WeakPolarHBondContact OG1-CB 3.38Å; T316-V483 WeakPolarHBondContact OG1-CG1 3.37Å; V392-V483 HydrophobicContact CG1-CB 4.07Å; V392-V483 HydrophobicContact CG1-CG1 4.1Å; R394-V483 HydrophobicContact CB-CG1 3.75Å; R394-V483 HydrophobicContact CG-CG1 4.3Å; E481-V483 VanDerWaalsContact C-N 3.26Å; E481-V483 HydrophobicContact CG-CG2 3.72Å; E481-V483 PolarHBondContact O-N 3.18Å; E481-V483 VanDerWaalsContact O-N 3.14Å; V483-R486 PolarHBondContact O-N 3.44Å; V483-D487 PolarHBondContact O-N 3.41Å
484	V	93.3	Very high	90.9	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.3	178.8	-172	0	0	0	0	111.2	I309 I480 E481 R486 D487 V493 V498	I309-V484 HydrophobicContact CD1-CG2 3.62Å; I309-V484 HydrophobicContact CG2-CG2 3.91Å; I480-V484 HydrophobicContact CG2-CB 3.93Å; I480-V484 HydrophobicContact CG2-CG1 4.05Å; E481-V484 HydrophobicContact CB-CG2 4.19Å; E481-V484 WeakPolarHBondContact O-CA 3.26Å; E481-V484 WeakPolarHBondContact O-CB 3.25Å; E481-V484 PolarHBondContact O-N 3.49Å; V484-R486 VanDerWaalsContact C-N 3.26Å; V484-R486 PolarHBondContact O-N 3.05Å; V484-D487 PolarHBondContact O-N 3.01Å; V484-V493 HydrophobicContact CG1-CG1 3.75Å; V484-V493 HydrophobicContact CG1-CG2 4.37Å; V484-V493 HydrophobicContact CG2-CG1 4.22Å; V484-V498 HydrophobicContact CG1-CG1 3.95Å; V484-V498 HydrophobicContact CG1-CG2 4.11Å
485	L	92.9	Very high	90.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.2	171.9	-71.9	176	0	0	0	113.5	T144 W145 V147 F476 I480 E481	T144-L485 HydrophobicContact CG2-CD2 4.2Å; W145-L485 VanDerWaalsContact CA-O 3.3Å; W145-L485 WeakPolarHBondContact CA-O 3.25Å; V147-L485 HydrophobicContact CG1-CD1 4.36Å; F476-L485 HydrophobicContact CB-CD2 4.35Å; I480-L485 HydrophobicContact CB-CD1 4.36Å; I480-L485 HydrophobicContact CB-CD2 3.8Å; I480-L485 HydrophobicContact CB-CG 3.89Å; I480-L485 HydrophobicContact CD1-CD2 3.96Å; I480-L485 HydrophobicContact CG1-CD2 4.48Å; I480-L485 HydrophobicContact CG2-CD2 3.84Å; I480-L485 HydrophobicContact CG2-CG 3.8Å; I480-L485 WeakPolarHBondContact O-CD1 3.06Å; E481-L485 PolarHBondContact O-N 3.38Å
486	R	91.9	Very high	90.2	Very high	29 Å²	29	17 Å²	17	11%	0.109	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-16.3	178.5	-76.1	176.7	-72.5	147.5	2.1	113.4	G148 I149 V392 E393 G482 V483 V484	G148-R486 WeakPolarHBondContact O-CD 3.45Å; G148-R486 WeakPolarHBondContact O-CG 3.31Å; I149-R486 HydrophobicContact CD1-CB 4.42Å; I149-R486 HydrophobicContact CD1-CG 3.95Å; I149-R486 HydrophobicContact CG1-CG 4.49Å; V392-R486 HydrophobicContact CG1-CB 3.9Å; E393-R486 VanDerWaalsContact O-CZ 3.31Å; E393-R486 PolarHBondContact O-NH1 2.9Å; E393-R486 PolarHBondContact O-NH2 3.4Å; G482-R486 PolarHBondContact O-NE 2.94Å; G482-R486 PolarHBondContact O-NH2 3.24Å; V483-R486 PolarHBondContact O-N 3.44Å; V484-R486 VanDerWaalsContact C-N 3.26Å; V484-R486 PolarHBondContact O-N 3.05Å
487	D	88.9	Confident	90	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	9%	0.094	C	C	.	.			trans	-72.1	126.8	168.8	-176.5	-13	0	0	0	110	V415 V483 V484 F489 G490 E491 A492	V415-D487 HydrophobicContact CG1-CB 4.31Å; V483-D487 PolarHBondContact O-N 3.41Å; V484-D487 PolarHBondContact O-N 3.01Å; D487-F489 PolarHBondContact OD1-N 3.33Å; D487-G490 PolarHBondContact OD1-N 3.17Å; D487-G490 VanDerWaalsContact OD2-C 3.26Å; D487-G490 WeakPolarHBondContact OD2-CA 3.43Å; D487-E491 PolarHBondContact OD2-N 3.42Å; D487-A492 WeakPolarHBondContact OD2-CB 3.39Å; D487-A492 PolarHBondContact OD2-N 3.29Å
488	K	84.5	Confident	89.9	Confident	23 Å²	23	17.6 Å²	17.6	10%	0.1	10%	0.096	C	C	.	.	S	Bend	trans	-86.1	-31.4	-176.3	-173.5	-172.9	-178.7	-170.9	0	112.6	R142 D418 D578	R142-K488 VanDerWaalsContact NH2-CE 3.3Å; D418-K488 HydrophobicContact CB-CD 4.24Å; D418-K488 WeakPolarHBondContact OD2-CD 3.24Å; D418-K488 IonicContact OD2-NZ 3.49Å; D418-K488 PolarHBondContact OD2-NZ 3.26Å; K488-D578 VanDerWaalsContact CE-OD2 3.3Å; K488-D578 WeakPolarHBondContact CE-OD2 3.29Å; K488-D578 IonicContact NZ-OD2 3.14Å; K488-D578 PolarHBondContact NZ-OD2 3.07Å
489	F	86.4	Confident	89.9	Confident	45 Å²	45	17 Å²	17	20%	0.197	9%	0.091	C	C	.	.	S	Bend	trans	-114.7	-7.7	-170	-61.1	-59.4	0	0	0	113.4	Y229 M249 D487	Y229-F489 WeakPolarHBondContact CE1-O 3.25Å; M249-F489 HydrophobicContact CE-CD1 4.48Å; M249-F489 HydrophobicContact CE-CE1 3.99Å; M249-F489 HydrophobicContact CE-CZ 4.21Å; M249-F489 HydrophobicContact SD-CZ 4.31Å; D487-F489 PolarHBondContact OD1-N 3.33Å
490	G	86.9	Confident	89.8	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.			trans	80.4	22.7	177.1	0	0	0	0	0	114	D487 A492 V493 N494 G495	D487-G490 PolarHBondContact OD1-N 3.17Å; D487-G490 VanDerWaalsContact OD2-C 3.26Å; D487-G490 WeakPolarHBondContact OD2-CA 3.43Å; G490-A492 VanDerWaalsContact C-N 3.3Å; G490-A492 PolarHBondContact O-N 3.33Å; G490-V493 CarbonylContact O-C 3.57Å; G490-V493 WeakPolarHBondContact O-CA 3.31Å; G490-V493 VanDerWaalsContact O-CG2 3.23Å; G490-V493 WeakPolarHBondContact O-CG2 3.3Å; G490-V493 PolarHBondContact O-N 2.84Å; G490-N494 PolarHBondContact O-N 3.47Å; G490-G495 WeakPolarHBondContact O-CA 3.23Å; G490-G495 PolarHBondContact O-N 3.23Å
491	E	87.3	Confident	89.7	Confident	59 Å²	59	17.1 Å²	17.1	28%	0.276	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	-53.1	-43.2	175	-76.9	-173.1	-124.1	0	0	113.2	S318 R319 V415 D487 V493 N494	S318-E491 WeakPolarHBondContact CB-OE2 3.44Å; S318-E491 WeakPolarHBondContact OG-CB 3.42Å; S318-E491 PolarHBondContact OG-OE2 3.39Å; R319-E491 WeakPolarHBondContact CB-O 3.43Å; R319-E491 PolarHBondContact N-O 3.35Å; V415-E491 HydrophobicContact CG2-CB 4.24Å; D487-E491 PolarHBondContact OD2-N 3.42Å; E491-V493 PolarHBondContact O-N 3.31Å; E491-N494 PolarHBondContact O-N 2.86Å
492	A	87.7	Confident	89.6	Confident	1 Å²	1	17 Å²	17	1%	0.008	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-62.2	-26.9	176.9	0	0	0	0	0	112.4	I309 T316 V415 D487 G490	I309-A492 HydrophobicContact CG2-CB 4.44Å; I309-A492 WeakPolarHBondContact CG2-O 3.28Å; T316-A492 HydrophobicContact CG2-CB 3.88Å; V415-A492 HydrophobicContact CG2-CB 4.3Å; D487-A492 WeakPolarHBondContact OD2-CB 3.39Å; D487-A492 PolarHBondContact OD2-N 3.29Å; G490-A492 VanDerWaalsContact C-N 3.3Å; G490-A492 PolarHBondContact O-N 3.33Å
493	V	89.2	Confident	89.7	Confident	7 Å²	7	17.1 Å²	17.1	4%	0.042	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-109.3	32.7	179.4	-66.5	0	0	0	0	112.2	I309 V484 G490 E491 N496 T501	I309-V493 HydrophobicContact CG2-CG1 3.66Å; V484-V493 HydrophobicContact CG1-CG1 3.75Å; V484-V493 HydrophobicContact CG1-CG2 4.37Å; V484-V493 HydrophobicContact CG2-CG1 4.22Å; G490-V493 CarbonylContact O-C 3.57Å; G490-V493 WeakPolarHBondContact O-CA 3.31Å; G490-V493 VanDerWaalsContact O-CG2 3.23Å; G490-V493 WeakPolarHBondContact O-CG2 3.3Å; G490-V493 PolarHBondContact O-N 2.84Å; E491-V493 PolarHBondContact O-N 3.31Å; V493-N496 HydrophobicContact CG2-CB 4.24Å; V493-N496 VanDerWaalsContact CG2-O 3.29Å; V493-N496 WeakPolarHBondContact CG2-O 3.18Å; V493-N496 WeakPolarHBondContact O-CB 3.42Å; V493-N496 PolarHBondContact O-N 3.33Å; V493-N496 PolarHBondContact O-ND2 3.42Å; V493-T501 HydrophobicContact CG2-CG2 4.37Å
494	N	85.6	Confident	89.7	Confident	96 Å²	96	23.8 Å²	23.8	51%	0.513	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	48.6	173.8	-169.3	32.2	0	0	0	113.6	R319 G490 E491 N496	R319-N494 HydrophobicContact CB-CB 4.16Å; R319-N494 HydrophobicContact CG-CB 4.09Å; G490-N494 PolarHBondContact O-N 3.47Å; E491-N494 PolarHBondContact O-N 2.86Å; N494-N496 VanDerWaalsContact C-N 3.28Å; N494-N496 PolarHBondContact O-N 3.34Å; N494-N496 PolarHBondContact O-ND2 3.32Å
495	G	84.4	Confident	89.6	Confident	24 Å²	24	27.9 Å²	27.9	25%	0.247	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	20.5	177.8	0	0	0	0	0	114.5	Y229 G490	Y229-G495 WeakPolarHBondContact CD1-O 3.33Å; G490-G495 WeakPolarHBondContact O-CA 3.23Å; G490-G495 PolarHBondContact O-N 3.23Å
496	N	89.9	Confident	89.6	Confident	43 Å²	43	30 Å²	30	23%	0.23	16%	0.158	C	C	.	.			trans	-91.7	130.7	177	-72.3	-88.7	0	0	0	111.4	V493 N494 V498 T501	V493-N496 HydrophobicContact CG2-CB 4.24Å; V493-N496 VanDerWaalsContact CG2-O 3.29Å; V493-N496 WeakPolarHBondContact CG2-O 3.18Å; V493-N496 WeakPolarHBondContact O-CB 3.42Å; V493-N496 PolarHBondContact O-N 3.33Å; V493-N496 PolarHBondContact O-ND2 3.42Å; N494-N496 VanDerWaalsContact C-N 3.28Å; N494-N496 PolarHBondContact O-N 3.34Å; N494-N496 PolarHBondContact O-ND2 3.32Å; N496-V498 PolarHBondContact O-N 3.19Å; N496-T501 HydrophobicContact CB-CG2 3.45Å; N496-T501 VanDerWaalsContact CB-CG2 3.45Å
497	L	90.4	Very high	89.6	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.026	16%	0.16	C	C	.	.			trans	-55.6	121.9	174.4	-168.6	164.6	0	0	0	110.3	L141 Y229 V499 G500 T501 I510 V511	L141-L497 HydrophobicContact CD1-CD1 4.2Å; Y229-L497 HydrophobicContact CD1-CB 3.92Å; Y229-L497 HydrophobicContact CD2-CB 4.17Å; Y229-L497 HydrophobicContact CD2-CD1 3.75Å; Y229-L497 HydrophobicContact CD2-CG 4.24Å; Y229-L497 HydrophobicContact CE1-CB 3.79Å; Y229-L497 HydrophobicContact CE1-CG 4.43Å; Y229-L497 HydrophobicContact CE2-CB 4.09Å; Y229-L497 HydrophobicContact CE2-CD1 3.75Å; Y229-L497 HydrophobicContact CE2-CG 3.91Å; Y229-L497 HydrophobicContact CG-CB 4.11Å; Y229-L497 HydrophobicContact CG-CD1 4.38Å; L497-V499 HydrophobicContact CD2-CB 4.41Å; L497-V499 HydrophobicContact CD2-CG1 3.34Å; L497-V499 PolarHBondContact O-N 3.34Å; L497-G500 WeakPolarHBondContact O-CA 3.42Å; L497-G500 PolarHBondContact O-N 3.44Å; L497-T501 PolarHBondContact O-N 2.65Å; L497-T501 VanDerWaalsContact O-N 3.16Å; L497-I510 HydrophobicContact CD2-CG2 4.35Å; L497-V511 HydrophobicContact CB-CG2 4.29Å; L497-V511 HydrophobicContact CD1-CG2 4.4Å
498	V	91.9	Very high	89.7	Confident	6 Å²	6	35.9 Å²	35.9	4%	0.036	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-39.3	-164.7	175.4	0	0	0	0	115	T144 I480 V484 N496 G500 T501	T144-V498 HydrophobicContact CG2-CG1 4.06Å; I480-V498 HydrophobicContact CD1-CG1 4.21Å; I480-V498 HydrophobicContact CG2-CG1 4.15Å; V484-V498 HydrophobicContact CG1-CG1 3.95Å; V484-V498 HydrophobicContact CG1-CG2 4.11Å; N496-V498 PolarHBondContact O-N 3.19Å; V498-G500 VanDerWaalsContact C-N 3.28Å; V498-T501 PolarHBondContact O-OG1 3Å
499	V	92.2	Very high	90.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-76.3	-17.9	172.5	57	0	0	0	0	112.5	F140 T144 I293 F476 L497 I510	F140-V499 WeakPolarHBondContact O-CG1 3.34Å; T144-V499 HydrophobicContact CG2-CB 3.93Å; I293-V499 HydrophobicContact CD1-CG2 3.53Å; I293-V499 HydrophobicContact CG1-CG2 3.72Å; I293-V499 HydrophobicContact CG2-CG2 4.26Å; F476-V499 HydrophobicContact CE1-CB 4.48Å; F476-V499 HydrophobicContact CE1-CG2 3.68Å; F476-V499 HydrophobicContact CZ-CB 4.26Å; F476-V499 HydrophobicContact CZ-CG2 3.56Å; L497-V499 HydrophobicContact CD2-CB 4.41Å; L497-V499 HydrophobicContact CD2-CG1 3.34Å; L497-V499 PolarHBondContact O-N 3.34Å; V499-I510 HydrophobicContact CG1-CG2 4.35Å
500	G	91.2	Very high	90.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69	-41.4	171.2	0	0	0	0	0	113	L497 V498 L502 A503 P507	L497-G500 WeakPolarHBondContact O-CA 3.42Å; L497-G500 PolarHBondContact O-N 3.44Å; V498-G500 VanDerWaalsContact C-N 3.28Å; G500-L502 PolarHBondContact O-N 2.88Å; G500-A503 PolarHBondContact O-N 3.42Å; G500-P507 VanDerWaalsContact O-CA 3.27Å; G500-P507 WeakPolarHBondContact O-CA 3.31Å; G500-P507 WeakPolarHBondContact O-CB 3.42Å; G500-P507 WeakPolarHBondContact O-CG 3.35Å
501	T	91.1	Very high	90.7	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-23.4	178.5	55.7	0	0	0	0	113.3	F307 I369 V493 N496 L497 V498	F307-T501 HydrophobicContact CD1-CG2 3.86Å; F307-T501 HydrophobicContact CD2-CG2 4.23Å; F307-T501 HydrophobicContact CE1-CG2 3.7Å; F307-T501 HydrophobicContact CE2-CG2 4.08Å; F307-T501 VanDerWaalsContact CE2-O 3.26Å; F307-T501 WeakPolarHBondContact CE2-O 3.35Å; F307-T501 HydrophobicContact CG-CG2 4.12Å; F307-T501 HydrophobicContact CZ-CG2 3.82Å; I369-T501 VanDerWaalsContact CD1-C 3.49Å; I369-T501 WeakPolarHBondContact CD1-O 3.36Å; I369-T501 WeakPolarHBondContact CD1-OG1 3.47Å; V493-T501 HydrophobicContact CG2-CG2 4.37Å; N496-T501 HydrophobicContact CB-CG2 3.45Å; N496-T501 VanDerWaalsContact CB-CG2 3.45Å; L497-T501 PolarHBondContact O-N 2.65Å; L497-T501 VanDerWaalsContact O-N 3.16Å; V498-T501 PolarHBondContact O-OG1 3Å
502	L	91.7	Very high	90.9	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-21.5	172.7	-176.6	58.3	0	0	0	113.6	G296 V297 I369 F476 C479 I480 G500	G296-L502 CarbonylContact C-O 3.59Å; G296-L502 WeakPolarHBondContact CA-O 3.45Å; V297-L502 HydrophobicContact CG2-CD1 4.46Å; V297-L502 HydrophobicContact CG2-CD2 3.79Å; V297-L502 HydrophobicContact CG2-CG 4.22Å; I369-L502 HydrophobicContact CD1-CB 4.06Å; I369-L502 HydrophobicContact CD1-CD1 4.47Å; I369-L502 HydrophobicContact CG2-CD1 4.13Å; F476-L502 HydrophobicContact CD1-CD2 4Å; F476-L502 HydrophobicContact CE1-CD2 4.31Å; C479-L502 HydrophobicContact CB-CD1 3.98Å; C479-L502 HydrophobicContact CB-CD2 4.3Å; I480-L502 HydrophobicContact CD1-CB 4.43Å; I480-L502 HydrophobicContact CD1-CD2 3.94Å; I480-L502 HydrophobicContact CG1-CD2 4.2Å; G500-L502 PolarHBondContact O-N 2.88Å
503	A	93.6	Very high	91.1	Very high	9 Å²	9	36.8 Å²	36.8	7%	0.074	20%	0.195	C	C	.	.			trans	-84.4	142.3	-166.6	0	0	0	0	0	114.5	A292 I293 G500 I510	A292-A503 HydrophobicContact CB-CB 4.44Å; I293-A503 HydrophobicContact CG1-CB 4.49Å; G500-A503 PolarHBondContact O-N 3.42Å; A503-I510 HydrophobicContact CB-CD1 3.83Å; A503-I510 HydrophobicContact CB-CG1 3.41Å; A503-I510 VanDerWaalsContact CB-CG1 3.41Å
504	W	92.6	Very high	91.2	Very high	141 Å²	141	36.5 Å²	36.5	53%	0.534	19%	0.193	S	C	.	.	S	Bend	trans	-108.2	138.6	175.3	179.9	87.5	0	0	0	110.7	A292 A295 K299	A292-W504 WeakPolarHBondContact CA-O 3.44Å; A292-W504 VanDerWaalsContact CB-O 3.24Å; A292-W504 WeakPolarHBondContact CB-O 3.42Å; A292-W504 PolarHBondContact O-N 3.48Å; A295-W504 HydrophobicContact CB-CB 4.44Å; A295-W504 HydrophobicContact CB-CE3 3.96Å; K299-W504 VanDerWaalsContact CD-CD1 3.5Å; K299-W504 HydrophobicContact CD-CG 4.18Å
505	P	91.9	Very high	91.6	Very high	88 Å²	88	34 Å²	34	57%	0.571	18%	0.178	S	C	*	.	S	Bend	cis	-87.9	-10.3	7.7	34.3	-38.2	0	0	0	116.5	V509	P505-V509 HydrophobicContact CG-CG2 4.42Å
506	S	92.5	Very high	91.9	Very high	43 Å²	43	37.1 Å²	37.1	30%	0.301	19%	0.185	S	C	.	.			trans	-159.5	145.9	-177.5	-174.3	0	0	0	0	112.2	W508 V509	S506-W508 PolarHBondContact O-N 2.91Å; S506-W508 VanDerWaalsContact O-N 3.15Å; S506-V509 WeakPolarHBondContact O-CB 3.45Å; S506-V509 WeakPolarHBondContact O-CG2 3.41Å; S506-V509 PolarHBondContact O-N 3.02Å
507	P	90.9	Very high	91.9	Very high	22 Å²	22	35.4 Å²	35.4	14%	0.143	18%	0.176	C	C	.	.	H	α-helix	trans	-54.4	-32.8	175.4	-26.3	34.1	0	0	0	114.2	F307 G500 V509 I510 V511	F307-P507 HydrophobicContact CZ-CG 4.05Å; G500-P507 VanDerWaalsContact O-CA 3.27Å; G500-P507 WeakPolarHBondContact O-CA 3.31Å; G500-P507 WeakPolarHBondContact O-CB 3.42Å; G500-P507 WeakPolarHBondContact O-CG 3.35Å; P507-V509 PolarHBondContact O-N 3.49Å; P507-V509 VanDerWaalsContact O-N 3.13Å; P507-I510 PolarHBondContact O-N 2.9Å; P507-V511 PolarHBondContact O-N 3.44Å; P507-V511 VanDerWaalsContact O-N 3.16Å
508	W	91.4	Very high	91.9	Very high	136 Å²	136	35.2 Å²	35.2	52%	0.515	18%	0.175	S	C	.	.	H	α-helix	trans	-58.1	-25.7	178.2	-69.4	108.3	0	0	0	113.9	S506 I510 V511 I512	S506-W508 PolarHBondContact O-N 2.91Å; S506-W508 VanDerWaalsContact O-N 3.15Å; W508-I510 VanDerWaalsContact C-N 3.32Å; W508-I510 PolarHBondContact O-N 3.15Å; W508-V511 HydrophobicContact CE3-CB 4.29Å; W508-V511 HydrophobicContact CE3-CG1 4.22Å; W508-V511 HydrophobicContact CZ3-CG1 4.23Å; W508-V511 PolarHBondContact O-N 2.65Å; W508-I512 WeakPolarHBondContact O-CB 3.26Å; W508-I512 VanDerWaalsContact O-CG1 3.31Å; W508-I512 WeakPolarHBondContact O-CG1 3.49Å; W508-I512 PolarHBondContact O-N 3.33Å
509	V	93.4	Very high	91.9	Very high	51 Å²	51	36.2 Å²	36.2	31%	0.309	18%	0.182	S	C	.	.	H	α-helix	trans	-62.3	-41.7	174.7	179.5	0	0	0	0	110.7	A292 P505 S506 P507 G513	A292-V509 HydrophobicContact CB-CG1 4.06Å; P505-V509 HydrophobicContact CG-CG2 4.42Å; S506-V509 WeakPolarHBondContact O-CB 3.45Å; S506-V509 WeakPolarHBondContact O-CG2 3.41Å; S506-V509 PolarHBondContact O-N 3.02Å; P507-V509 PolarHBondContact O-N 3.49Å; P507-V509 VanDerWaalsContact O-N 3.13Å; V509-G513 WeakPolarHBondContact O-CA 3.16Å; V509-G513 PolarHBondContact O-N 3.46Å
510	I	93	Very high	91.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-76.6	-40.3	179	-51.8	-54.2	0	0	0	111	F140 S289 A292 I293 L497 V499 A503 P507 W508 G513 S514	F140-I510 HydrophobicContact CD1-CG2 3.92Å; S289-I510 VanDerWaalsContact O-CD1 3.28Å; S289-I510 WeakPolarHBondContact O-CD1 3.39Å; A292-I510 HydrophobicContact CB-CD1 4.05Å; I293-I510 HydrophobicContact CD1-CD1 4.2Å; I293-I510 HydrophobicContact CG1-CD1 3.83Å; I293-I510 HydrophobicContact CG1-CG1 4.47Å; L497-I510 HydrophobicContact CD2-CG2 4.35Å; V499-I510 HydrophobicContact CG1-CG2 4.35Å; A503-I510 HydrophobicContact CB-CD1 3.83Å; A503-I510 HydrophobicContact CB-CG1 3.41Å; A503-I510 VanDerWaalsContact CB-CG1 3.41Å; P507-I510 PolarHBondContact O-N 2.9Å; W508-I510 VanDerWaalsContact C-N 3.32Å; W508-I510 PolarHBondContact O-N 3.15Å; I510-G513 PolarHBondContact O-N 3.43Å; I510-S514 WeakPolarHBondContact O-CB 3.34Å; I510-S514 PolarHBondContact O-N 3.24Å; I510-S514 PolarHBondContact O-OG 3.43Å
511	V	92.6	Very high	91.8	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.048	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-49.7	177.7	176.1	0	0	0	0	110.9	I225 L230 L497 P507 W508 S514 F515	I225-V511 HydrophobicContact CG2-CG1 4.3Å; L230-V511 HydrophobicContact CD1-CG1 3.52Å; L230-V511 HydrophobicContact CG-CG1 4.18Å; L497-V511 HydrophobicContact CB-CG2 4.29Å; L497-V511 HydrophobicContact CD1-CG2 4.4Å; P507-V511 PolarHBondContact O-N 3.44Å; P507-V511 VanDerWaalsContact O-N 3.16Å; W508-V511 HydrophobicContact CE3-CB 4.29Å; W508-V511 HydrophobicContact CE3-CG1 4.22Å; W508-V511 HydrophobicContact CZ3-CG1 4.23Å; W508-V511 PolarHBondContact O-N 2.65Å; V511-S514 PolarHBondContact O-OG 3.04Å; V511-F515 WeakPolarHBondContact O-CB 3.46Å; V511-F515 PolarHBondContact O-N 3.4Å; V511-F515 VanDerWaalsContact O-N 3.17Å
512	I	92.1	Very high	91.8	Very high	83 Å²	83	36.8 Å²	36.8	43%	0.426	19%	0.187	S	C	.	.	H	α-helix	trans	-71.7	-41.1	179.1	-62.9	169.1	0	0	0	111.2	W508 F515 F516	W508-I512 WeakPolarHBondContact O-CB 3.26Å; W508-I512 VanDerWaalsContact O-CG1 3.31Å; W508-I512 WeakPolarHBondContact O-CG1 3.49Å; W508-I512 PolarHBondContact O-N 3.33Å; I512-F515 PolarHBondContact O-N 2.84Å; I512-F516 HydrophobicContact CG2-CD2 3.78Å; I512-F516 HydrophobicContact CG2-CE2 3.72Å; I512-F516 WeakPolarHBondContact O-CD2 3.49Å; I512-F516 PolarHBondContact O-N 3.12Å; I512-F516 VanDerWaalsContact O-N 3.13Å
513	G	91.4	Very high	91.7	Very high	5 Å²	5	37.5 Å²	37.5	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-44.3	-179.7	0	0	0	0	0	113.3	V509 I510 S517	V509-G513 WeakPolarHBondContact O-CA 3.16Å; V509-G513 PolarHBondContact O-N 3.46Å; I510-G513 PolarHBondContact O-N 3.43Å; G513-S517 VanDerWaalsContact O-CB 3.24Å; G513-S517 WeakPolarHBondContact O-CB 3.31Å; G513-S517 PolarHBondContact O-N 3.39Å
514	S	91.4	Very high	91.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.4	-34.9	176.4	63.2	0	0	0	0	112.6	I510 V511 S517 T518	I510-S514 WeakPolarHBondContact O-CB 3.34Å; I510-S514 PolarHBondContact O-N 3.24Å; I510-S514 PolarHBondContact O-OG 3.43Å; V511-S514 PolarHBondContact O-OG 3.04Å; S514-S517 PolarHBondContact O-N 3.05Å; S514-T518 VanDerWaalsContact O-CB 3.32Å; S514-T518 WeakPolarHBondContact O-CB 3.24Å; S514-T518 PolarHBondContact O-N 3.27Å; S514-T518 PolarHBondContact O-OG1 2.85Å
515	F	93.3	Very high	91.5	Very high	44 Å²	44	31.3 Å²	31.3	19%	0.193	17%	0.168	C	C	.	.	H	α-helix	trans	-58.8	-54.1	172.7	178.3	-97	0	0	0	111.5	T222 I225 L226 V511 I512 T518 C519	T222-F515 HydrophobicContact CG2-CD2 3.85Å; T222-F515 HydrophobicContact CG2-CE2 3.55Å; T222-F515 HydrophobicContact CG2-CZ 4.21Å; I225-F515 HydrophobicContact CB-CD2 4.47Å; I225-F515 HydrophobicContact CG2-CB 3.93Å; I225-F515 HydrophobicContact CG2-CD2 4.22Å; L226-F515 HydrophobicContact CB-CE2 4.32Å; L226-F515 HydrophobicContact CD1-CE2 4.31Å; V511-F515 WeakPolarHBondContact O-CB 3.46Å; V511-F515 PolarHBondContact O-N 3.4Å; V511-F515 VanDerWaalsContact O-N 3.17Å; I512-F515 PolarHBondContact O-N 2.84Å; F515-T518 PolarHBondContact O-N 2.91Å; F515-C519 VanDerWaalsContact O-CB 3.24Å; F515-C519 WeakPolarHBondContact O-CB 3.47Å; F515-C519 PolarHBondContact O-N 3.48Å
516	F	91.2	Very high	91.4	Very high	90 Å²	90	27.1 Å²	27.1	40%	0.395	14%	0.141	S	C	.	.	H	α-helix	trans	-67.2	-37.4	179.1	-77.3	-61.7	0	0	0	112.9	F282 C285 I512 G520	F282-F516 HydrophobicContact CD1-CB 4.33Å; F282-F516 WeakPolarHBondContact CD1-O 3.5Å; F282-F516 HydrophobicContact CE1-CD1 4.49Å; C285-F516 HydrophobicContact CB-CB 4.46Å; I512-F516 HydrophobicContact CG2-CD2 3.78Å; I512-F516 HydrophobicContact CG2-CE2 3.72Å; I512-F516 WeakPolarHBondContact O-CD2 3.49Å; I512-F516 PolarHBondContact O-N 3.12Å; I512-F516 VanDerWaalsContact O-N 3.13Å; F516-G520 PolarHBondContact O-N 3.3Å
517	S	90.1	Very high	91.3	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-55.8	-51.7	172.4	178.1	0	0	0	0	111.7	V286 G513 S514 G520 A521	V286-S517 WeakPolarHBondContact CG2-OG 3.33Å; G513-S517 VanDerWaalsContact O-CB 3.24Å; G513-S517 WeakPolarHBondContact O-CB 3.31Å; G513-S517 PolarHBondContact O-N 3.39Å; S514-S517 PolarHBondContact O-N 3.05Å; S517-G520 PolarHBondContact O-N 3.37Å; S517-A521 PolarHBondContact O-N 3.39Å
518	T	91.4	Very high	91.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-71.5	-40.4	-173.6	-49.8	0	0	0	0	111.2	V137 Y218 T222 S514 F515 G520 A521 G522	V137-T518 HydrophobicContact CB-CG2 3.86Å; V137-T518 HydrophobicContact CG2-CG2 4.02Å; Y218-T518 HydrophobicContact CD1-CG2 4.08Å; Y218-T518 HydrophobicContact CG-CG2 4.43Å; Y218-T518 WeakPolarHBondContact O-CG2 3.22Å; T222-T518 WeakPolarHBondContact OG1-CG2 3.28Å; S514-T518 VanDerWaalsContact O-CB 3.32Å; S514-T518 WeakPolarHBondContact O-CB 3.24Å; S514-T518 PolarHBondContact O-N 3.27Å; S514-T518 PolarHBondContact O-OG1 2.85Å; F515-T518 PolarHBondContact O-N 2.91Å; T518-G520 VanDerWaalsContact C-N 3.32Å; T518-G520 PolarHBondContact O-N 2.95Å; T518-A521 PolarHBondContact O-N 3.44Å; T518-G522 PolarHBondContact O-N 3.46Å
519	C	91.4	Very high	91.3	Very high	27 Å²	27	18.1 Å²	18.1	18%	0.182	10%	0.101	C	C	.	.	H	α-helix	trans	-57	-43.8	170.9	-179.6	0	0	0	0	112	T222 M264 F515 G522 L523	T222-C519 HydrophobicContact CG2-CB 4.21Å; T222-C519 PolarHBondContact OG1-N 3.49Å; M264-C519 HydrophobicContact CE-CB 4.27Å; M264-C519 VanDerWaalsContact CE-SG 3.6Å; F515-C519 VanDerWaalsContact O-CB 3.24Å; F515-C519 WeakPolarHBondContact O-CB 3.47Å; F515-C519 PolarHBondContact O-N 3.48Å; C519-G522 PolarHBondContact O-N 3.2Å; C519-L523 PolarHBondContact O-N 3.44Å
520	G	89.8	Confident	91.3	Very high	3 Å²	3	15.9 Å²	15.9	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-63.4	-42.9	175.5	0	0	0	0	0	113.6	F516 S517 T518 L523 Q524	F516-G520 PolarHBondContact O-N 3.3Å; S517-G520 PolarHBondContact O-N 3.37Å; T518-G520 VanDerWaalsContact C-N 3.32Å; T518-G520 PolarHBondContact O-N 2.95Å; G520-L523 PolarHBondContact O-N 2.94Å; G520-Q524 WeakPolarHBondContact O-CB 3.21Å; G520-Q524 PolarHBondContact O-N 3.4Å
521	A	90.4	Very high	91.1	Very high	12 Å²	12	17.9 Å²	17.9	10%	0.099	9%	0.094	C	C	.	.	H	α-helix	trans	-66.5	-36.4	177	0	0	0	0	0	112.6	Y218 S517 T518 Q524 S525	Y218-A521 HydrophobicContact CD1-CB 4.07Å; Y218-A521 HydrophobicContact CD2-CB 3.66Å; Y218-A521 HydrophobicContact CE1-CB 4.14Å; Y218-A521 HydrophobicContact CE2-CB 3.74Å; Y218-A521 HydrophobicContact CG-CB 3.85Å; S517-A521 PolarHBondContact O-N 3.39Å; T518-A521 PolarHBondContact O-N 3.44Å; A521-Q524 PolarHBondContact O-N 3.08Å; A521-S525 WeakPolarHBondContact O-CB 3.06Å; A521-S525 PolarHBondContact O-N 2.99Å; A521-S525 PolarHBondContact O-OG 3.36Å
522	G	91.8	Very high	91.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.7	-50.2	171.1	0	0	0	0	0	112.3	T518 C519 Q524 S525 L526	T518-G522 PolarHBondContact O-N 3.46Å; C519-G522 PolarHBondContact O-N 3.2Å; G522-Q524 VanDerWaalsContact C-N 3.34Å; G522-Q524 PolarHBondContact O-N 3.3Å; G522-S525 PolarHBondContact O-N 3.05Å; G522-L526 WeakPolarHBondContact O-CB 3.48Å; G522-L526 PolarHBondContact O-N 3.43Å
523	L	90.3	Very high	91.1	Very high	18 Å²	18	14.5 Å²	14.5	9%	0.094	8%	0.077	C	C	.	.	H	α-helix	trans	-61.2	-38.3	175.2	-75.4	167.6	0	0	0	112.9	M264 V268 V275 F282 C519 G520 T527	M264-L523 HydrophobicContact CB-CD2 3.85Å; M264-L523 HydrophobicContact CE-CG 4.42Å; M264-L523 HydrophobicContact CG-CD2 3.82Å; M264-L523 HydrophobicContact CG-CG 4.22Å; M264-L523 HydrophobicContact SD-CD2 4.36Å; M264-L523 HydrophobicContact SD-CG 4.24Å; V268-L523 HydrophobicContact CG2-CD2 4.15Å; V275-L523 HydrophobicContact CG1-CB 4.09Å; F282-L523 HydrophobicContact CZ-CD1 4.39Å; C519-L523 PolarHBondContact O-N 3.44Å; G520-L523 PolarHBondContact O-N 2.94Å; L523-T527 WeakPolarHBondContact O-CB 3.34Å; L523-T527 VanDerWaalsContact O-CG2 3.32Å; L523-T527 WeakPolarHBondContact O-CG2 3.32Å; L523-T527 PolarHBondContact O-N 3.45Å; L523-T527 PolarHBondContact O-OG1 2.99Å
524	Q	89.1	Confident	91.1	Very high	10 Å²	10	14.4 Å²	14.4	5%	0.047	8%	0.075	C	C	.	.	H	α-helix	trans	-66.9	-39.8	176.8	-172.4	167	14.2	0	0	111.9	N93 N133 G520 A521 G522 T527 G528	N93-Q524 PolarHBondContact ND2-NE2 3.45Å; N93-Q524 PolarHBondContact ND2-OE1 3.46Å; N93-Q524 PolarHBondContact O-NE2 2.91Å; N133-Q524 PolarHBondContact ND2-NE2 3.49Å; N133-Q524 PolarHBondContact OD1-NE2 3.04Å; G520-Q524 WeakPolarHBondContact O-CB 3.21Å; G520-Q524 PolarHBondContact O-N 3.4Å; A521-Q524 PolarHBondContact O-N 3.08Å; G522-Q524 VanDerWaalsContact C-N 3.34Å; G522-Q524 PolarHBondContact O-N 3.3Å; Q524-T527 WeakPolarHBondContact CA-OG1 3.45Å; Q524-T527 PolarHBondContact O-OG1 3.47Å; Q524-G528 PolarHBondContact O-N 2.88Å
525	S	91.3	Very high	91.1	Very high	10 Å²	10	14.6 Å²	14.6	7%	0.07	8%	0.076	C	C	.	.	H	α-helix	trans	-66.5	-46.2	175.4	-56.6	0	0	0	0	111.5	A521 G522 T527 G528 A529	A521-S525 WeakPolarHBondContact O-CB 3.06Å; A521-S525 PolarHBondContact O-N 2.99Å; A521-S525 PolarHBondContact O-OG 3.36Å; G522-S525 PolarHBondContact O-N 3.05Å; S525-T527 VanDerWaalsContact C-N 3.28Å; S525-T527 PolarHBondContact O-N 2.99Å; S525-G528 PolarHBondContact O-N 3.31Å; S525-A529 PolarHBondContact O-N 2.93Å
526	L	91.4	Very high	90.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-69.5	-20.7	-179.9	-169.1	62.4	0	0	0	113.6	L261 M264 A265 V268 G522 P530 L561 T564	L261-L526 HydrophobicContact CD1-CD1 4.25Å; L261-L526 HydrophobicContact CD1-CD2 4.13Å; M264-L526 HydrophobicContact CB-CD2 3.74Å; A265-L526 HydrophobicContact CB-CD2 4.19Å; V268-L526 HydrophobicContact CG2-CD2 4.37Å; V268-L526 HydrophobicContact CG2-CG 4.44Å; G522-L526 WeakPolarHBondContact O-CB 3.48Å; G522-L526 PolarHBondContact O-N 3.43Å; L526-P530 WeakPolarHBondContact O-CD 3.3Å; L526-P530 WeakPolarHBondContact O-CG 3.42Å; L526-L561 HydrophobicContact CD1-CD1 4.29Å; L526-L561 HydrophobicContact CG-CD1 4.27Å; L526-T564 HydrophobicContact CD1-CG2 4.04Å
527	T	89.7	Confident	90.9	Very high	4 Å²	4	8.5 Å²	8.5	3%	0.025	5%	0.05	C	C	.	.	H	α-helix	trans	-90	-31	170.9	47.5	0	0	0	0	113.2	L94 V268 V272 L523 Q524 S525 R531	L94-T527 HydrophobicContact CD2-CG2 3.82Å; L94-T527 VanDerWaalsContact CD2-OG1 3.31Å; L94-T527 WeakPolarHBondContact CD2-OG1 3.28Å; L94-T527 WeakPolarHBondContact CG-OG1 3.26Å; V268-T527 HydrophobicContact CB-CG2 4.2Å; V268-T527 HydrophobicContact CG1-CG2 3.72Å; V268-T527 HydrophobicContact CG2-CG2 3.47Å; V268-T527 VanDerWaalsContact CG2-CG2 3.47Å; V272-T527 HydrophobicContact CG1-CG2 4.13Å; V272-T527 HydrophobicContact CG2-CG2 4.13Å; L523-T527 WeakPolarHBondContact O-CB 3.34Å; L523-T527 VanDerWaalsContact O-CG2 3.32Å; L523-T527 WeakPolarHBondContact O-CG2 3.32Å; L523-T527 PolarHBondContact O-N 3.45Å; L523-T527 PolarHBondContact O-OG1 2.99Å; Q524-T527 WeakPolarHBondContact CA-OG1 3.45Å; Q524-T527 PolarHBondContact O-OG1 3.47Å; S525-T527 VanDerWaalsContact C-N 3.28Å; S525-T527 PolarHBondContact O-N 2.99Å; T527-R531 WeakPolarHBondContact O-CD 3.48Å; T527-R531 WeakPolarHBondContact O-CG 3.46Å
528	G	89.2	Confident	90.8	Very high	9 Å²	9	12.6 Å²	12.6	9%	0.093	7%	0.065	C	C	.	.	H	α-helix	trans	-77.5	-48.5	-178.5	0	0	0	0	0	114.3	Q524 S525 R531 L532	Q524-G528 PolarHBondContact O-N 2.88Å; S525-G528 PolarHBondContact O-N 3.31Å; G528-R531 PolarHBondContact O-N 3.26Å; G528-R531 VanDerWaalsContact O-N 3.15Å; G528-L532 PolarHBondContact O-N 3.49Å
529	A	92.3	Very high	90.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58	-42.4	-177.5	0	0	0	0	0	113.5	Y208 T211 S525 R531 L532 L533 T564	Y208-A529 HydrophobicContact CD2-CB 3.81Å; Y208-A529 WeakPolarHBondContact CD2-O 3.44Å; Y208-A529 HydrophobicContact CE2-CB 3.8Å; Y208-A529 WeakPolarHBondContact CE2-O 3.49Å; T211-A529 HydrophobicContact CG2-CB 4.03Å; S525-A529 PolarHBondContact O-N 2.93Å; A529-R531 PolarHBondContact O-N 3.45Å; A529-L532 PolarHBondContact O-N 3.47Å; A529-L533 PolarHBondContact O-N 2.97Å; A529-T564 HydrophobicContact CB-CG2 3.82Å
530	P	93.1	Very high	90.2	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.019	7%	0.074	C	C	.	.	H	α-helix	trans	-64.5	-36.4	175.7	-24.3	36.2	0	0	0	114	L526 Q534 P557 A560 L561 T564	L526-P530 WeakPolarHBondContact O-CD 3.3Å; L526-P530 WeakPolarHBondContact O-CG 3.42Å; P530-Q534 VanDerWaalsContact O-CB 3.31Å; P530-Q534 WeakPolarHBondContact O-CB 3.32Å; P530-Q534 PolarHBondContact O-N 2.89Å; P530-P557 HydrophobicContact CB-CG 3.69Å; P530-A560 HydrophobicContact CB-CB 4.09Å; P530-L561 HydrophobicContact CB-CB 4.31Å; P530-L561 HydrophobicContact CG-CB 4.23Å; P530-L561 HydrophobicContact CG-CD1 3.87Å; P530-T564 HydrophobicContact CG-CG2 4.15Å
531	R	90.4	Very high	90	Very high	42 Å²	42	14.7 Å²	14.7	16%	0.158	8%	0.078	C	C	.	.	H	α-helix	trans	-67.1	-39.4	177.8	-71.1	176.5	177.1	-141.1	-8.8	111.4	P95 T527 G528 A529 Q534 A535	P95-R531 WeakPolarHBondContact O-CD 3.46Å; P95-R531 PolarHBondContact O-NH1 2.94Å; T527-R531 WeakPolarHBondContact O-CD 3.48Å; T527-R531 WeakPolarHBondContact O-CG 3.46Å; G528-R531 PolarHBondContact O-N 3.26Å; G528-R531 VanDerWaalsContact O-N 3.15Å; A529-R531 PolarHBondContact O-N 3.45Å; R531-Q534 WeakPolarHBondContact O-CB 3.18Å; R531-Q534 PolarHBondContact O-N 3.39Å; R531-A535 PolarHBondContact O-N 3.47Å
532	L	91.1	Very high	89.8	Confident	18 Å²	18	14.4 Å²	14.4	9%	0.094	7%	0.074	C	C	.	.	H	α-helix	trans	-63.3	-48.9	174.5	174.5	59.5	0	0	0	111.8	Y188 F207 G528 A529 Q534 A535 I536	Y188-L532 HydrophobicContact CD2-CD1 4.1Å; Y188-L532 HydrophobicContact CG-CD1 4.03Å; F207-L532 HydrophobicContact CB-CD2 4.12Å; F207-L532 HydrophobicContact CD1-CD1 4.36Å; F207-L532 HydrophobicContact CD1-CD2 3.41Å; F207-L532 VanDerWaalsContact CD1-CD2 3.41Å; F207-L532 HydrophobicContact CE1-CD2 4.01Å; F207-L532 HydrophobicContact CG-CD2 3.92Å; G528-L532 PolarHBondContact O-N 3.49Å; A529-L532 PolarHBondContact O-N 3.47Å; L532-Q534 VanDerWaalsContact C-N 3.31Å; L532-Q534 PolarHBondContact O-N 2.84Å; L532-A535 PolarHBondContact O-N 3.27Å; L532-I536 HydrophobicContact CD1-CD1 4.01Å; L532-I536 HydrophobicContact CD1-CG1 4.49Å; L532-I536 HydrophobicContact CG-CD1 4.03Å; L532-I536 WeakPolarHBondContact O-CG1 3.25Å; L532-I536 PolarHBondContact O-N 2.95Å
533	L	92.9	Very high	89.5	Confident	2 Å²	2	16.7 Å²	16.7	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-37.4	176.6	-179.2	60.7	0	0	0	112.1	Y208 A529 I536 S537 L545 F548 A560 L563	Y208-L533 HydrophobicContact CD2-CB 3.9Å; Y208-L533 HydrophobicContact CE1-CD2 4.17Å; Y208-L533 HydrophobicContact CE2-CB 3.86Å; Y208-L533 HydrophobicContact CE2-CD2 4.08Å; Y208-L533 HydrophobicContact CG-CB 4.44Å; A529-L533 PolarHBondContact O-N 2.97Å; L533-I536 PolarHBondContact O-N 3.2Å; L533-S537 WeakPolarHBondContact O-CB 3.5Å; L533-S537 PolarHBondContact O-N 2.98Å; L533-S537 PolarHBondContact O-OG 3.34Å; L533-L545 HydrophobicContact CD1-CD1 4.2Å; L533-F548 HydrophobicContact CD2-CB 4.08Å; L533-F548 HydrophobicContact CD2-CD1 4.49Å; L533-F548 HydrophobicContact CD2-CD2 4.43Å; L533-F548 HydrophobicContact CD2-CG 4.08Å; L533-F548 HydrophobicContact CG-CB 4.1Å; L533-A560 HydrophobicContact CB-CB 4.27Å; L533-A560 HydrophobicContact CD2-CB 3.95Å; L533-A560 HydrophobicContact CG-CB 4.25Å; L533-L563 HydrophobicContact CD2-CD2 3.73Å
534	Q	92.6	Very high	89.4	Confident	4 Å²	4	22.6 Å²	22.6	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-60.5	-45.3	174	-171.4	-173.6	30.2	0	0	111.7	P530 R531 L532 S537 R538 G555 P557	P530-Q534 VanDerWaalsContact O-CB 3.31Å; P530-Q534 WeakPolarHBondContact O-CB 3.32Å; P530-Q534 PolarHBondContact O-N 2.89Å; R531-Q534 WeakPolarHBondContact O-CB 3.18Å; R531-Q534 PolarHBondContact O-N 3.39Å; L532-Q534 VanDerWaalsContact C-N 3.31Å; L532-Q534 PolarHBondContact O-N 2.84Å; Q534-S537 WeakPolarHBondContact CA-OG 3.33Å; Q534-S537 PolarHBondContact O-N 3.27Å; Q534-S537 PolarHBondContact O-OG 3.28Å; Q534-R538 PolarHBondContact O-N 3.17Å; Q534-G555 PolarHBondContact NE2-O 3.13Å; Q534-G555 PolarHBondContact OE1-O 3.29Å; Q534-P557 HydrophobicContact CB-CB 4.08Å; Q534-P557 HydrophobicContact CB-CG 4.44Å; Q534-P557 HydrophobicContact CG-CB 4.16Å
535	A	89.4	Confident	89.5	Confident	3 Å²	3	23 Å²	23	3%	0.025	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-49.7	176	0	0	0	0	0	112.2	Y188 Y189 R531 L532 S537 R538 D539	Y188-A535 HydrophobicContact CD1-CB 3.68Å; Y188-A535 HydrophobicContact CE1-CB 4.07Å; Y188-A535 HydrophobicContact CG-CB 4.45Å; Y189-A535 HydrophobicContact CE2-CB 3.66Å; R531-A535 PolarHBondContact O-N 3.47Å; L532-A535 PolarHBondContact O-N 3.27Å; A535-S537 VanDerWaalsContact C-N 3.26Å; A535-S537 PolarHBondContact O-N 3.02Å; A535-R538 PolarHBondContact O-N 3.25Å; A535-R538 VanDerWaalsContact O-N 3.12Å; A535-D539 PolarHBondContact O-N 3.47Å; A535-D539 VanDerWaalsContact O-N 3.14Å
536	I	91.1	Very high	89.4	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-53	-43	175.1	-71.8	163.9	0	0	0	111.8	Y188 G204 L205 L532 L533 I541 L545	Y188-I536 HydrophobicContact CD2-CD1 4.49Å; Y188-I536 HydrophobicContact CD2-CG1 3.84Å; Y188-I536 HydrophobicContact CE2-CD1 4.43Å; Y188-I536 HydrophobicContact CE2-CG1 3.48Å; Y188-I536 VanDerWaalsContact CE2-CG1 3.48Å; G204-I536 VanDerWaalsContact C-CD1 3.48Å; L205-I536 HydrophobicContact CD2-CD1 4.34Å; L205-I536 HydrophobicContact CD2-CG2 4.2Å; L205-I536 HydrophobicContact CG-CD1 4.47Å; L532-I536 HydrophobicContact CD1-CD1 4.01Å; L532-I536 HydrophobicContact CD1-CG1 4.49Å; L532-I536 HydrophobicContact CG-CD1 4.03Å; L532-I536 WeakPolarHBondContact O-CG1 3.25Å; L532-I536 PolarHBondContact O-N 2.95Å; L533-I536 PolarHBondContact O-N 3.2Å; I536-I541 HydrophobicContact CG2-CD1 4.25Å; I536-L545 HydrophobicContact CG2-CD1 4.2Å
537	S	91.1	Very high	89.4	Confident	5 Å²	5	32.3 Å²	32.3	4%	0.035	17%	0.166	C	C	.	.	H	α-helix	trans	-72.9	-31.2	-179.4	67.3	0	0	0	0	114.1	L533 Q534 A535 G540 L545 G549	L533-S537 WeakPolarHBondContact O-CB 3.5Å; L533-S537 PolarHBondContact O-N 2.98Å; L533-S537 PolarHBondContact O-OG 3.34Å; Q534-S537 WeakPolarHBondContact CA-OG 3.33Å; Q534-S537 PolarHBondContact O-N 3.27Å; Q534-S537 PolarHBondContact O-OG 3.28Å; A535-S537 VanDerWaalsContact C-N 3.26Å; A535-S537 PolarHBondContact O-N 3.02Å; S537-G540 PolarHBondContact O-N 3.43Å; S537-L545 WeakPolarHBondContact CB-O 3.17Å; S537-G549 WeakPolarHBondContact OG-CA 3.37Å; S537-G549 PolarHBondContact OG-N 2.92Å
538	R	87.6	Confident	89.6	Confident	92 Å²	92	34.2 Å²	34.2	35%	0.347	17%	0.173	S	C	.	.	H	α-helix	trans	-76.4	-31.3	178.7	-77.8	-174	177.5	-165.7	-2.5	113.3	S98 E102 Q534 A535 G540 G549	S98-R538 WeakPolarHBondContact OG-CD 3.42Å; S98-R538 PolarHBondContact OG-NH1 3.13Å; E102-R538 WeakPolarHBondContact OE1-CD 3.45Å; E102-R538 IonicContact OE1-CZ 3.04Å; E102-R538 IonicContact OE1-NE 3.4Å; E102-R538 IonicContact OE1-NH1 2.81Å; E102-R538 PolarHBondContact OE1-NH1 3.45Å; E102-R538 IonicContact OE2-CZ 3.96Å; E102-R538 IonicContact OE2-NH1 3.74Å; E102-R538 PolarHBondContact OE2-NH1 2.96Å; Q534-R538 PolarHBondContact O-N 3.17Å; A535-R538 PolarHBondContact O-N 3.25Å; A535-R538 VanDerWaalsContact O-N 3.12Å; R538-G540 PolarHBondContact O-N 3.42Å; R538-G549 PolarHBondContact NE-O 3.13Å
539	D	85.8	Confident	89.5	Confident	36 Å²	36	34.3 Å²	34.3	19%	0.193	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.3	169.2	-78.9	7.8	0	0	0	112.5	Y188 Y189 A535 I541	Y188-D539 WeakPolarHBondContact CE1-OD2 3.26Å; Y188-D539 VanDerWaalsContact CZ-OD2 3.29Å; Y188-D539 PolarHBondContact OH-OD2 3.07Å; Y189-D539 VanDerWaalsContact CE1-OD1 3.29Å; Y189-D539 WeakPolarHBondContact CE1-OD1 3.48Å; A535-D539 PolarHBondContact O-N 3.47Å; A535-D539 VanDerWaalsContact O-N 3.14Å; D539-I541 HydrophobicContact CB-CG2 4.31Å; D539-I541 PolarHBondContact O-N 2.87Å
540	G	83.8	Confident	89.3	Confident	18 Å²	18	39.9 Å²	39.9	19%	0.186	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	15.5	174.5	0	0	0	0	0	114.4	S537 R538 V542	S537-G540 PolarHBondContact O-N 3.43Å; R538-G540 PolarHBondContact O-N 3.42Å; G540-V542 PolarHBondContact O-N 3.16Å
541	I	85.9	Confident	88.9	Confident	22 Å²	22	40.5 Å²	40.5	11%	0.113	21%	0.208	C	C	.	.	S	Bend	trans	-64.4	-25	179.6	50.6	158.9	0	0	0	113.6	P197 I536 D539 I655	P197-I541 HydrophobicContact CB-CG2 3.93Å; I536-I541 HydrophobicContact CG2-CD1 4.25Å; D539-I541 HydrophobicContact CB-CG2 4.31Å; D539-I541 PolarHBondContact O-N 2.87Å; I541-I655 HydrophobicContact CB-CG2 4.32Å; I541-I655 HydrophobicContact CD1-CD1 4.48Å
542	V	86	Confident	88.7	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.03	21%	0.214	C	C	.	.	S	Bend	trans	-129.2	100.5	179	-179.2	0	0	0	0	108.7	G540 F544 L545 Y654 I655	G540-V542 PolarHBondContact O-N 3.16Å; V542-F544 VanDerWaalsContact C-N 3.32Å; V542-F544 HydrophobicContact CG1-CD1 3.64Å; V542-F544 HydrophobicContact CG1-CD2 4.19Å; V542-F544 HydrophobicContact CG1-CE1 3.28Å; V542-F544 HydrophobicContact CG1-CE2 3.88Å; V542-F544 HydrophobicContact CG1-CG 4.07Å; V542-F544 HydrophobicContact CG1-CZ 3.42Å; V542-F544 VanDerWaalsContact CG1-CZ 3.42Å; V542-F544 PolarHBondContact O-N 3.41Å; V542-L545 HydrophobicContact CB-CB 4.36Å; V542-L545 HydrophobicContact CB-CD1 3.93Å; V542-L545 HydrophobicContact CB-CG 4.13Å; V542-L545 HydrophobicContact CG1-CB 4.31Å; V542-L545 HydrophobicContact CG1-CD1 3.85Å; V542-L545 HydrophobicContact CG1-CG 3.72Å; V542-L545 HydrophobicContact CG2-CD1 4.43Å; V542-L545 PolarHBondContact O-N 3.13Å; V542-Y654 HydrophobicContact CG1-CE1 4.25Å; V542-I655 HydrophobicContact CG2-CD1 4.5Å; V542-I655 HydrophobicContact CG2-CG1 4.1Å
543	P	85.6	Confident	88.1	Confident	49 Å²	49	45.6 Å²	45.6	32%	0.318	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-56.2	-38.2	-170.5	-31	36.1	0	0	0	115.2	L545 Q546	P543-L545 PolarHBondContact O-N 3.5Å; P543-Q546 WeakPolarHBondContact O-CB 3.46Å; P543-Q546 VanDerWaalsContact O-CG 3.26Å; P543-Q546 WeakPolarHBondContact O-CG 3.34Å; P543-Q546 PolarHBondContact O-N 3.3Å
544	F	88.8	Confident	87.1	Confident	142 Å²	142	49.8 Å²	49.8	62%	0.623	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-71.2	-15.1	-179.5	66.4	-101.6	0	0	0	114	V542 Y654	V542-F544 VanDerWaalsContact C-N 3.32Å; V542-F544 HydrophobicContact CG1-CD1 3.64Å; V542-F544 HydrophobicContact CG1-CD2 4.19Å; V542-F544 HydrophobicContact CG1-CE1 3.28Å; V542-F544 HydrophobicContact CG1-CE2 3.88Å; V542-F544 HydrophobicContact CG1-CG 4.07Å; V542-F544 HydrophobicContact CG1-CZ 3.42Å; V542-F544 VanDerWaalsContact CG1-CZ 3.42Å; V542-F544 PolarHBondContact O-N 3.41Å; F544-Y654 HydrophobicContact CE1-CE1 4.29Å
545	L	90.1	Very high	86.4	Confident	17 Å²	17	50.1 Å²	50.1	9%	0.089	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-85.8	-7.5	176.1	-65.7	-178.9	0	0	0	113.4	L205 L533 I536 S537 V542 P543 V547 F548	L205-L545 HydrophobicContact CD2-CD1 3.84Å; L533-L545 HydrophobicContact CD1-CD1 4.2Å; I536-L545 HydrophobicContact CG2-CD1 4.2Å; S537-L545 WeakPolarHBondContact CB-O 3.17Å; V542-L545 HydrophobicContact CB-CB 4.36Å; V542-L545 HydrophobicContact CB-CD1 3.93Å; V542-L545 HydrophobicContact CB-CG 4.13Å; V542-L545 HydrophobicContact CG1-CB 4.31Å; V542-L545 HydrophobicContact CG1-CD1 3.85Å; V542-L545 HydrophobicContact CG1-CG 3.72Å; V542-L545 HydrophobicContact CG2-CD1 4.43Å; V542-L545 PolarHBondContact O-N 3.13Å; P543-L545 PolarHBondContact O-N 3.5Å; L545-V547 PolarHBondContact O-N 2.89Å; L545-V547 VanDerWaalsContact O-N 3.08Å; L545-F548 HydrophobicContact CB-CD2 4.25Å; L545-F548 HydrophobicContact CD2-CD2 3.75Å; L545-F548 HydrophobicContact CD2-CE2 3.77Å; L545-F548 WeakPolarHBondContact O-CB 3.46Å; L545-F548 WeakPolarHBondContact O-CD2 3.45Å; L545-F548 PolarHBondContact O-N 2.97Å
546	Q	88.6	Confident	86.2	Confident	114 Å²	114	51 Å²	51	53%	0.533	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-56.5	-29.4	-175.2	-72.2	175.7	-3.2	0	0	113.8	P543 F548 G549	P543-Q546 WeakPolarHBondContact O-CB 3.46Å; P543-Q546 VanDerWaalsContact O-CG 3.26Å; P543-Q546 WeakPolarHBondContact O-CG 3.34Å; P543-Q546 PolarHBondContact O-N 3.3Å; Q546-F548 PolarHBondContact O-N 3.17Å; Q546-G549 PolarHBondContact O-N 2.87Å; Q546-G549 VanDerWaalsContact O-N 3.08Å
547	V	92.1	Very high	86.2	Confident	93 Å²	93	51.6 Å²	51.6	56%	0.564	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-57.3	-33.3	175.4	-176.7	0	0	0	0	112.1	L545 G549 W559	L545-V547 PolarHBondContact O-N 2.89Å; L545-V547 VanDerWaalsContact O-N 3.08Å; V547-G549 VanDerWaalsContact C-N 3.25Å; V547-G549 PolarHBondContact O-N 2.9Å; V547-W559 HydrophobicContact CG1-CG 4.47Å
548	F	93.3	Very high	86.2	Confident	43 Å²	43	52.8 Å²	52.8	19%	0.189	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-76.5	-8.8	-179.2	-56.4	-65.5	0	0	0	113.8	L533 L545 Q546 H550 W559 A560 L563	L533-F548 HydrophobicContact CD2-CB 4.08Å; L533-F548 HydrophobicContact CD2-CD1 4.49Å; L533-F548 HydrophobicContact CD2-CD2 4.43Å; L533-F548 HydrophobicContact CD2-CG 4.08Å; L533-F548 HydrophobicContact CG-CB 4.1Å; L545-F548 HydrophobicContact CB-CD2 4.25Å; L545-F548 HydrophobicContact CD2-CD2 3.75Å; L545-F548 HydrophobicContact CD2-CE2 3.77Å; L545-F548 WeakPolarHBondContact O-CB 3.46Å; L545-F548 WeakPolarHBondContact O-CD2 3.45Å; L545-F548 PolarHBondContact O-N 2.97Å; Q546-F548 PolarHBondContact O-N 3.17Å; F548-H550 PolarHBondContact O-N 2.9Å; F548-W559 HydrophobicContact CD1-CB 3.8Å; F548-W559 HydrophobicContact CE1-CB 4.31Å; F548-A560 HydrophobicContact CB-CB 4.19Å; F548-L563 HydrophobicContact CD1-CB 4.42Å; F548-L563 HydrophobicContact CD1-CD2 4.38Å; F548-L563 HydrophobicContact CE1-CB 3.99Å; F548-L563 HydrophobicContact CE1-CD2 3.95Å; F548-L563 HydrophobicContact CE1-CG 4.43Å; F548-L563 HydrophobicContact CE2-CD2 4.18Å; F548-L563 HydrophobicContact CZ-CD2 3.84Å
549	G	87.4	Confident	86.4	Confident	11 Å²	11	54.7 Å²	54.7	11%	0.113	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-74.6	-10.8	176.6	0	0	0	0	0	114.6	S537 R538 Q546 V547 G551	S537-G549 WeakPolarHBondContact OG-CA 3.37Å; S537-G549 PolarHBondContact OG-N 2.92Å; R538-G549 PolarHBondContact NE-O 3.13Å; Q546-G549 PolarHBondContact O-N 2.87Å; Q546-G549 VanDerWaalsContact O-N 3.08Å; V547-G549 VanDerWaalsContact C-N 3.25Å; V547-G549 PolarHBondContact O-N 2.9Å; G549-G551 PolarHBondContact O-N 3.45Å
550	H	89.4	Confident	86.8	Confident	117 Å²	117	53 Å²	53	54%	0.542	29%	0.289	S	S	.	.			trans	-71.3	118.2	-179.2	-170	76.2	0	0	0	112.3	F548 T558	F548-H550 PolarHBondContact O-N 2.9Å; H550-T558 PolarHBondContact CD2-OG1 3.27Å; H550-T558 PolarHBondContact O-N 3.48Å; H550-T558 VanDerWaalsContact O-N 3.16Å; H550-T558 PolarHBondContact O-OG1 3.43Å; H550-T558 VanDerWaalsContact O-OG1 3.07Å
551	G	84.8	Confident	87.3	Confident	17 Å²	17	52.8 Å²	52.8	18%	0.175	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-124.5	160.2	176.9	0	0	0	0	0	112.6	G549 E556	G549-G551 PolarHBondContact O-N 3.45Å; G551-E556 CarbonylContact C-O 3.54Å; G551-E556 WeakPolarHBondContact CA-O 3.4Å
552	K	84.5	Confident	87.7	Confident	66 Å²	66	56.2 Å²	56.2	29%	0.287	30%	0.301	S	S	.	.			trans	-62.1	168.4	171.2	-59.6	-177.9	-178.2	-177.4	0	110.2	F269 N554 G555 E556 T558	F269-K552 VanDerWaalsContact CE2-CE 3.44Å; F269-K552 VanDerWaalsContact CE2-NZ 3.32Å; F269-K552 VanDerWaalsContact CZ-NZ 3.25Å; F269-K552 PolarHBondContact O-NZ 3.27Å; K552-N554 PolarHBondContact O-N 3.45Å; K552-G555 WeakPolarHBondContact O-CA 3.46Å; K552-G555 PolarHBondContact O-N 3.2Å; K552-E556 PolarHBondContact N-O 3.05Å; K552-T558 HydrophobicContact CD-CG2 4.49Å; K552-T558 HydrophobicContact CG-CG2 3.78Å
553	A	78.6	Confident	88.2	Confident	100 Å²	100	58.6 Å²	58.6	83%	0.826	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.5	172.6	0	0	0	0	0	114.2	R99 G555	R99-A553 PolarHBondContact NH1-O 3.14Å; A553-G555 VanDerWaalsContact C-N 3.28Å; A553-G555 PolarHBondContact O-N 3.15Å
554	N	73.1	Confident	88.6	Confident	90 Å²	90	56.3 Å²	56.3	48%	0.481	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-12.6	172.2	-65.2	-11.6	0	0	0	113.9	R99 K552 E556	R99-N554 WeakPolarHBondContact CD-O 3.4Å; R99-N554 VanDerWaalsContact NH1-C 3.32Å; R99-N554 PolarHBondContact NH1-O 3.04Å; K552-N554 PolarHBondContact O-N 3.45Å; N554-E556 VanDerWaalsContact C-N 3.32Å; N554-E556 HydrophobicContact CB-CG 4.1Å; N554-E556 WeakPolarHBondContact CB-OE2 3.48Å; N554-E556 PolarHBondContact ND2-OE2 2.92Å
555	G	78.3	Confident	89	Confident	12 Å²	12	50.4 Å²	50.4	12%	0.124	28%	0.276	C	S	.	.	S	Bend	trans	92.1	-21.5	-167.5	0	0	0	0	0	113.8	Q534 K552 A553	Q534-G555 PolarHBondContact NE2-O 3.13Å; Q534-G555 PolarHBondContact OE1-O 3.29Å; K552-G555 WeakPolarHBondContact O-CA 3.46Å; K552-G555 PolarHBondContact O-N 3.2Å; A553-G555 VanDerWaalsContact C-N 3.28Å; A553-G555 PolarHBondContact O-N 3.15Å
556	E	85.4	Confident	89.3	Confident	22 Å²	22	52.8 Å²	52.8	10%	0.103	29%	0.294	C	S	.	.			trans	-57.9	122.6	-176.8	-66.7	166.9	135.9	0	0	112.1	V272 G551 K552 N554	V272-E556 WeakPolarHBondContact CB-OE1 3.41Å; V272-E556 HydrophobicContact CG2-CG 4.45Å; V272-E556 WeakPolarHBondContact CG2-OE1 3.4Å; V272-E556 PolarHBondContact N-OE1 3.31Å; G551-E556 CarbonylContact C-O 3.54Å; G551-E556 WeakPolarHBondContact CA-O 3.4Å; K552-E556 PolarHBondContact N-O 3.05Å; N554-E556 VanDerWaalsContact C-N 3.32Å; N554-E556 HydrophobicContact CB-CG 4.1Å; N554-E556 WeakPolarHBondContact CB-OE2 3.48Å; N554-E556 PolarHBondContact ND2-OE2 2.92Å
557	P	90.1	Very high	89.6	Confident	13 Å²	13	48.8 Å²	48.8	8%	0.084	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-73.1	149.3	-176.2	29	-34.7	0	0	0	112.6	P530 Q534 A560	P530-P557 HydrophobicContact CB-CG 3.69Å; Q534-P557 HydrophobicContact CB-CB 4.08Å; Q534-P557 HydrophobicContact CB-CG 4.44Å; Q534-P557 HydrophobicContact CG-CB 4.16Å; P557-A560 HydrophobicContact CB-CB 4.04Å
558	T	90.2	Very high	89.8	Confident	29 Å²	29	44.4 Å²	44.4	18%	0.178	25%	0.249	C	C	.	.	S	Bend	trans	-109.9	-66.7	-176.3	52.1	0	0	0	0	112.2	F269 H550 K552 A560 L561 L562	F269-T558 HydrophobicContact CE2-CG2 4.35Å; H550-T558 PolarHBondContact CD2-OG1 3.27Å; H550-T558 PolarHBondContact O-N 3.48Å; H550-T558 VanDerWaalsContact O-N 3.16Å; H550-T558 PolarHBondContact O-OG1 3.43Å; H550-T558 VanDerWaalsContact O-OG1 3.07Å; K552-T558 HydrophobicContact CD-CG2 4.49Å; K552-T558 HydrophobicContact CG-CG2 3.78Å; T558-A560 VanDerWaalsContact C-N 3.28Å; T558-A560 PolarHBondContact O-N 3.02Å; T558-L561 WeakPolarHBondContact O-CB 3.38Å; T558-L561 PolarHBondContact O-N 3.41Å; T558-L561 VanDerWaalsContact O-N 3.07Å; T558-L562 PolarHBondContact O-N 3.17Å; T558-L562 VanDerWaalsContact O-N 3.13Å
559	W	93.5	Very high	89.9	Confident	133 Å²	133	44.3 Å²	44.3	50%	0.504	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-34.5	179	-63	121.1	0	0	0	112.9	V547 F548 L561 L562 L563	V547-W559 HydrophobicContact CG1-CG 4.47Å; F548-W559 HydrophobicContact CD1-CB 3.8Å; F548-W559 HydrophobicContact CE1-CB 4.31Å; W559-L561 VanDerWaalsContact C-N 3.33Å; W559-L561 PolarHBondContact O-N 2.94Å; W559-L562 HydrophobicContact CE3-CD2 3.86Å; W559-L562 HydrophobicContact CZ3-CD2 3.85Å; W559-L562 PolarHBondContact O-N 3.46Å; W559-L563 PolarHBondContact O-N 3.43Å
560	A	94	Very high	90.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-33.1	175.2	0	0	0	0	0	112.6	P530 L533 F548 P557 T558 T564	P530-A560 HydrophobicContact CB-CB 4.09Å; L533-A560 HydrophobicContact CB-CB 4.27Å; L533-A560 HydrophobicContact CD2-CB 3.95Å; L533-A560 HydrophobicContact CG-CB 4.25Å; F548-A560 HydrophobicContact CB-CB 4.19Å; P557-A560 HydrophobicContact CB-CB 4.04Å; T558-A560 VanDerWaalsContact C-N 3.28Å; T558-A560 PolarHBondContact O-N 3.02Å; A560-T564 VanDerWaalsContact O-CB 3.31Å; A560-T564 WeakPolarHBondContact O-CB 3.38Å; A560-T564 PolarHBondContact O-N 2.95Å; A560-T564 PolarHBondContact O-OG1 3.07Å
561	L	94.2	Very high	90.5	Very high	13 Å²	13	43 Å²	43	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-68.9	-42.1	174.4	178.2	64.4	0	0	0	110.7	V268 F269 L526 P530 T558 W559 T564 A565	V268-L561 HydrophobicContact CB-CD1 4.37Å; V268-L561 HydrophobicContact CB-CD2 4.46Å; V268-L561 HydrophobicContact CG1-CD1 3.69Å; V268-L561 HydrophobicContact CG1-CD2 3.92Å; V268-L561 HydrophobicContact CG1-CG 4.47Å; F269-L561 HydrophobicContact CB-CD2 3.88Å; F269-L561 HydrophobicContact CD2-CD2 4.27Å; L526-L561 HydrophobicContact CD1-CD1 4.29Å; L526-L561 HydrophobicContact CG-CD1 4.27Å; P530-L561 HydrophobicContact CB-CB 4.31Å; P530-L561 HydrophobicContact CG-CB 4.23Å; P530-L561 HydrophobicContact CG-CD1 3.87Å; T558-L561 WeakPolarHBondContact O-CB 3.38Å; T558-L561 PolarHBondContact O-N 3.41Å; T558-L561 VanDerWaalsContact O-N 3.07Å; W559-L561 VanDerWaalsContact C-N 3.33Å; W559-L561 PolarHBondContact O-N 2.94Å; L561-T564 PolarHBondContact O-N 3.01Å; L561-A565 WeakPolarHBondContact O-CB 3.3Å; L561-A565 PolarHBondContact O-N 3.44Å
562	L	94.6	Very high	91	Very high	95 Å²	95	42.2 Å²	42.2	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-60.4	-49.1	175.5	-176	65	0	0	0	111.6	T558 W559 T564 A565 C566	T558-L562 PolarHBondContact O-N 3.17Å; T558-L562 VanDerWaalsContact O-N 3.13Å; W559-L562 HydrophobicContact CE3-CD2 3.86Å; W559-L562 HydrophobicContact CZ3-CD2 3.85Å; W559-L562 PolarHBondContact O-N 3.46Å; L562-T564 VanDerWaalsContact C-N 3.32Å; L562-T564 PolarHBondContact O-N 3.4Å; L562-A565 PolarHBondContact O-N 3.16Å; L562-C566 PolarHBondContact O-N 3.3Å; L562-C566 PolarHBondContact O-SG 2.99Å
563	L	95	Very high	91.5	Very high	54 Å²	54	43.2 Å²	43.2	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-59.9	-43.2	177.2	-176.6	68.1	0	0	0	111.8	L533 F548 W559 A565 C566 I567	L533-L563 HydrophobicContact CD2-CD2 3.73Å; F548-L563 HydrophobicContact CD1-CB 4.42Å; F548-L563 HydrophobicContact CD1-CD2 4.38Å; F548-L563 HydrophobicContact CE1-CB 3.99Å; F548-L563 HydrophobicContact CE1-CD2 3.95Å; F548-L563 HydrophobicContact CE1-CG 4.43Å; F548-L563 HydrophobicContact CE2-CD2 4.18Å; F548-L563 HydrophobicContact CZ-CD2 3.84Å; W559-L563 PolarHBondContact O-N 3.43Å; L563-A565 PolarHBondContact O-N 3.46Å; L563-C566 PolarHBondContact O-N 2.91Å; L563-I567 HydrophobicContact CD1-CD1 4.23Å; L563-I567 HydrophobicContact CD2-CD1 4.47Å; L563-I567 HydrophobicContact CG-CD1 3.95Å; L563-I567 WeakPolarHBondContact O-CG1 3.41Å; L563-I567 PolarHBondContact O-N 3.39Å
564	T	95.6	Very high	92.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-42.9	178.1	-55.9	0	0	0	0	111	Y208 T212 L526 A529 P530 A560 L561 L562 I567 C568	Y208-T564 WeakPolarHBondContact CE2-OG1 3.43Å; Y208-T564 WeakPolarHBondContact OH-CA 3.46Å; Y208-T564 PolarHBondContact OH-N 3.27Å; Y208-T564 PolarHBondContact OH-OG1 3.22Å; T212-T564 HydrophobicContact CG2-CG2 3.71Å; T212-T564 WeakPolarHBondContact CG2-O 3.27Å; L526-T564 HydrophobicContact CD1-CG2 4.04Å; A529-T564 HydrophobicContact CB-CG2 3.82Å; P530-T564 HydrophobicContact CG-CG2 4.15Å; A560-T564 VanDerWaalsContact O-CB 3.31Å; A560-T564 WeakPolarHBondContact O-CB 3.38Å; A560-T564 PolarHBondContact O-N 2.95Å; A560-T564 PolarHBondContact O-OG1 3.07Å; L561-T564 PolarHBondContact O-N 3.01Å; L562-T564 VanDerWaalsContact C-N 3.32Å; L562-T564 PolarHBondContact O-N 3.4Å; T564-I567 PolarHBondContact O-N 3.26Å; T564-C568 WeakPolarHBondContact O-CB 3.45Å; T564-C568 PolarHBondContact O-N 3.3Å; T564-C568 PolarHBondContact O-SG 2.81Å
565	A	96	Very high	93	Very high	18 Å²	18	36.7 Å²	36.7	15%	0.149	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-44	174	0	0	0	0	0	112	L261 L561 L562 L563 I567 C568 E569	L261-A565 WeakPolarHBondContact CD2-O 3.42Å; L561-A565 WeakPolarHBondContact O-CB 3.3Å; L561-A565 PolarHBondContact O-N 3.44Å; L562-A565 PolarHBondContact O-N 3.16Å; L563-A565 PolarHBondContact O-N 3.46Å; A565-I567 VanDerWaalsContact C-N 3.32Å; A565-I567 PolarHBondContact O-N 2.87Å; A565-C568 WeakPolarHBondContact O-CB 3.44Å; A565-C568 PolarHBondContact O-N 3Å; A565-E569 PolarHBondContact O-N 3.32Å
566	C	96	Very high	93.5	Very high	68 Å²	68	37.2 Å²	37.2	46%	0.459	20%	0.195	S	C	.	.	H	α-helix	trans	-61.6	-36.5	176.3	-65.4	0	0	0	0	113.2	L562 L563 I570	L562-C566 PolarHBondContact O-N 3.3Å; L562-C566 PolarHBondContact O-SG 2.99Å; L563-C566 PolarHBondContact O-N 2.91Å; C566-I570 WeakPolarHBondContact O-CG1 3.46Å; C566-I570 PolarHBondContact O-N 3.2Å
567	I	95.8	Very high	93.6	Very high	30 Å²	30	36.3 Å²	36.3	15%	0.154	19%	0.191	C	C	.	.	H	α-helix	trans	-76.2	-36.7	176.6	-63.4	168.3	0	0	0	111.1	Y208 L209 T212 F213 L563 T564 A565 E569 I570 G571	Y208-I567 HydrophobicContact CE1-CD1 4.16Å; L209-I567 HydrophobicContact CD2-CD1 4.44Å; T212-I567 HydrophobicContact CG2-CB 3.69Å; T212-I567 HydrophobicContact CG2-CG2 3.55Å; F213-I567 HydrophobicContact CE2-CG2 4.28Å; F213-I567 HydrophobicContact CZ-CG2 4.28Å; L563-I567 HydrophobicContact CD1-CD1 4.23Å; L563-I567 HydrophobicContact CD2-CD1 4.47Å; L563-I567 HydrophobicContact CG-CD1 3.95Å; L563-I567 WeakPolarHBondContact O-CG1 3.41Å; L563-I567 PolarHBondContact O-N 3.39Å; T564-I567 PolarHBondContact O-N 3.26Å; A565-I567 VanDerWaalsContact C-N 3.32Å; A565-I567 PolarHBondContact O-N 2.87Å; I567-E569 VanDerWaalsContact C-N 3.3Å; I567-E569 PolarHBondContact O-N 3.31Å; I567-I570 PolarHBondContact O-N 3.42Å; I567-G571 PolarHBondContact O-N 2.99Å
568	C	95.4	Very high	93.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-42.6	170.3	-74.8	0	0	0	0	111.7	T212 A216 L261 T564 A565 I570 G571 I572	T212-C568 PolarHBondContact O-SG 2.77Å; A216-C568 WeakPolarHBondContact CB-O 3.41Å; L261-C568 HydrophobicContact CD1-CB 3.83Å; L261-C568 HydrophobicContact CD2-CB 3.68Å; L261-C568 HydrophobicContact CG-CB 4.45Å; T564-C568 WeakPolarHBondContact O-CB 3.45Å; T564-C568 PolarHBondContact O-N 3.3Å; T564-C568 PolarHBondContact O-SG 2.81Å; A565-C568 WeakPolarHBondContact O-CB 3.44Å; A565-C568 PolarHBondContact O-N 3Å; C568-I570 VanDerWaalsContact C-N 3.33Å; C568-I570 PolarHBondContact O-N 2.87Å; C568-G571 CarbonylContact O-C 3.51Å; C568-G571 WeakPolarHBondContact O-CA 3.42Å; C568-G571 PolarHBondContact O-N 3.47Å; C568-I572 WeakPolarHBondContact O-CG1 3.22Å; C568-I572 PolarHBondContact O-N 3.21Å
569	E	96.2	Very high	93.7	Very high	42 Å²	42	40.5 Å²	40.5	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-39.4	179.4	-173.3	63.4	-166.9	0	0	111.8	T258 L261 A565 I567 G571 I572 L573	T258-E569 WeakPolarHBondContact CB-OE1 3.5Å; T258-E569 VanDerWaalsContact CG2-OE1 3.24Å; T258-E569 WeakPolarHBondContact CG2-OE1 3.21Å; T258-E569 PolarHBondContact OG1-OE1 3Å; T258-E569 PolarHBondContact OG1-OE2 3.11Å; L261-E569 HydrophobicContact CD2-CB 4.04Å; L261-E569 WeakPolarHBondContact CD2-OE2 3Å; A565-E569 PolarHBondContact O-N 3.32Å; I567-E569 VanDerWaalsContact C-N 3.3Å; I567-E569 PolarHBondContact O-N 3.31Å; E569-G571 VanDerWaalsContact C-N 3.26Å; E569-G571 PolarHBondContact O-N 3.25Å; E569-I572 PolarHBondContact O-N 2.91Å; E569-L573 HydrophobicContact CG-CD1 4.32Å; E569-L573 HydrophobicContact CG-CG 4.47Å; E569-L573 WeakPolarHBondContact O-CG 3.48Å; E569-L573 PolarHBondContact O-N 3.21Å
570	I	95.3	Very high	93.6	Very high	100 Å²	100	34.2 Å²	34.2	51%	0.513	18%	0.184	S	C	.	.	H	α-helix	trans	-57.8	-41.2	172.7	-64.6	168	0	0	0	110.8	C566 I567 C568	C566-I570 WeakPolarHBondContact O-CG1 3.46Å; C566-I570 PolarHBondContact O-N 3.2Å; I567-I570 PolarHBondContact O-N 3.42Å; C568-I570 VanDerWaalsContact C-N 3.33Å; C568-I570 PolarHBondContact O-N 2.87Å
571	G	93.9	Very high	93.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-34.9	174.2	0	0	0	0	0	113.7	I567 C568 E569 V580	I567-G571 PolarHBondContact O-N 2.99Å; C568-G571 CarbonylContact O-C 3.51Å; C568-G571 WeakPolarHBondContact O-CA 3.42Å; C568-G571 PolarHBondContact O-N 3.47Å; E569-G571 VanDerWaalsContact C-N 3.26Å; E569-G571 PolarHBondContact O-N 3.25Å; G571-V580 WeakPolarHBondContact O-CG2 3.32Å
572	I	95.6	Very high	93.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-73.5	-34.7	178.3	-69.7	174.4	0	0	0	111.8	A216 I219 L220 L261 C568 E569 I574 A575	A216-I572 HydrophobicContact CB-CG1 4.24Å; I219-I572 HydrophobicContact CB-CD1 4.21Å; I219-I572 HydrophobicContact CD1-CD1 4.27Å; I219-I572 HydrophobicContact CG2-CD1 3.71Å; I219-I572 HydrophobicContact CG2-CG1 4.41Å; L220-I572 HydrophobicContact CD2-CG2 4.37Å; L261-I572 HydrophobicContact CB-CD1 3.7Å; L261-I572 HydrophobicContact CD2-CD1 3.79Å; L261-I572 HydrophobicContact CG-CD1 4.28Å; C568-I572 WeakPolarHBondContact O-CG1 3.22Å; C568-I572 PolarHBondContact O-N 3.21Å; E569-I572 PolarHBondContact O-N 2.91Å; I572-I574 PolarHBondContact O-N 3.4Å; I572-A575 VanDerWaalsContact O-CA 3.31Å; I572-A575 WeakPolarHBondContact O-CA 3.4Å; I572-A575 PolarHBondContact O-N 3.3Å
573	L	95.1	Very high	92.9	Very high	87 Å²	87	32.8 Å²	32.8	46%	0.455	18%	0.178	S	C	.	.	H	α-helix	trans	-65.9	-24	177.8	-70.4	170.4	0	0	0	113.3	R254 E569 A575	R254-L573 PolarHBondContact NE-O 3.11Å; R254-L573 PolarHBondContact NH2-O 3.44Å; E569-L573 HydrophobicContact CG-CD1 4.32Å; E569-L573 HydrophobicContact CG-CG 4.47Å; E569-L573 WeakPolarHBondContact O-CG 3.48Å; E569-L573 PolarHBondContact O-N 3.21Å; L573-A575 PolarHBondContact O-N 3.07Å
574	I	93.3	Very high	92.7	Very high	48 Å²	48	30.3 Å²	30.3	25%	0.246	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-33	168.5	-63.5	169.2	0	0	0	110.7	I572 S576 E579 V580 I583	I572-I574 PolarHBondContact O-N 3.4Å; I574-S576 PolarHBondContact O-N 3.04Å; I574-E579 HydrophobicContact CG2-CB 3.87Å; I574-V580 HydrophobicContact CB-CG2 4.07Å; I574-V580 HydrophobicContact CD1-CG2 4.18Å; I574-V580 HydrophobicContact CG2-CG2 3.99Å; I574-I583 HydrophobicContact CD1-CD1 4.06Å
575	A	89.5	Confident	92.5	Very high	5 Å²	5	30.3 Å²	30.3	4%	0.041	17%	0.165	C	C	.	.			trans	64.5	-25.9	175	0	0	0	0	0	117.1	L250 M253 R254 I572 L573	L250-A575 HydrophobicContact CB-CB 4.27Å; L250-A575 HydrophobicContact CD2-CB 3.8Å; L250-A575 WeakPolarHBondContact O-CB 3.36Å; M253-A575 HydrophobicContact CB-CB 4.16Å; R254-A575 HydrophobicContact CG-CB 3.79Å; I572-A575 VanDerWaalsContact O-CA 3.31Å; I572-A575 WeakPolarHBondContact O-CA 3.4Å; I572-A575 PolarHBondContact O-N 3.3Å; L573-A575 PolarHBondContact O-N 3.07Å
576	S	88.8	Confident	92.2	Very high	23 Å²	23	30 Å²	30	16%	0.161	16%	0.161	C	C	.	.			trans	-85.4	114.2	173.7	-180	0	0	0	0	111.5	I574 D578 E579 V580	I574-S576 PolarHBondContact O-N 3.04Å; S576-D578 PolarHBondContact O-N 3.09Å; S576-E579 PolarHBondContact O-N 2.95Å; S576-E579 PolarHBondContact OG-N 3.43Å; S576-V580 WeakPolarHBondContact O-CG2 3.31Å; S576-V580 PolarHBondContact O-N 2.73Å
577	L	88.3	Confident	92.1	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-55.3	-37.8	173.4	-179.3	152.7	0	0	0	111.7	V137 I138 M217 E579 V580 A581	V137-L577 HydrophobicContact CG1-CD1 4.39Å; I138-L577 HydrophobicContact CD1-CD2 4.26Å; M217-L577 HydrophobicContact CE-CD2 4.16Å; M217-L577 HydrophobicContact CG-CG 4.35Å; L577-E579 VanDerWaalsContact C-N 3.33Å; L577-E579 PolarHBondContact O-N 2.88Å; L577-V580 PolarHBondContact O-N 2.65Å; L577-A581 PolarHBondContact O-N 3.37Å
578	D	90.8	Very high	91.9	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.043	14%	0.141	C	C	.	.	H	α-helix	trans	-76.2	-19.2	-173.7	-57.1	-64.4	0	0	0	112.9	R142 M419 I429 K488 S576 P582	R142-D578 IonicContact CZ-OD1 3.38Å; R142-D578 IonicContact CZ-OD2 2.74Å; R142-D578 IonicContact NE-OD1 3.43Å; R142-D578 PolarHBondContact NE-OD1 3.29Å; R142-D578 IonicContact NE-OD2 3.15Å; R142-D578 PolarHBondContact NE-OD2 3.46Å; R142-D578 IonicContact NH2-OD1 2.71Å; R142-D578 IonicContact NH2-OD2 2.71Å; R142-D578 PolarHBondContact NH2-OD2 3.43Å; M419-D578 HydrophobicContact CE-CB 3.81Å; I429-D578 HydrophobicContact CD1-CB 4.13Å; K488-D578 VanDerWaalsContact CE-OD2 3.3Å; K488-D578 WeakPolarHBondContact CE-OD2 3.29Å; K488-D578 IonicContact NZ-OD2 3.14Å; K488-D578 PolarHBondContact NZ-OD2 3.07Å; S576-D578 PolarHBondContact O-N 3.09Å; D578-P582 WeakPolarHBondContact O-CD 3.42Å
579	E	89.9	Confident	91.8	Very high	122 Å²	122	27.6 Å²	27.6	57%	0.57	14%	0.142	S	C	*	.	H	α-helix	trans	-87.1	-32.7	170.4	-68.7	178.3	-162.6	0	0	112.4	I574 S576 L577	I574-E579 HydrophobicContact CG2-CB 3.87Å; S576-E579 PolarHBondContact O-N 2.95Å; S576-E579 PolarHBondContact OG-N 3.43Å; L577-E579 VanDerWaalsContact C-N 3.33Å; L577-E579 PolarHBondContact O-N 2.88Å
580	V	91.6	Very high	91.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-71.9	-34.8	177.2	176.9	0	0	0	0	111.8	M217 L220 G571 I574 S576 L577 I583 L584	M217-V580 HydrophobicContact CB-CG1 4.11Å; L220-V580 HydrophobicContact CD1-CG2 4.02Å; G571-V580 WeakPolarHBondContact O-CG2 3.32Å; I574-V580 HydrophobicContact CB-CG2 4.07Å; I574-V580 HydrophobicContact CD1-CG2 4.18Å; I574-V580 HydrophobicContact CG2-CG2 3.99Å; S576-V580 WeakPolarHBondContact O-CG2 3.31Å; S576-V580 PolarHBondContact O-N 2.73Å; L577-V580 PolarHBondContact O-N 2.65Å; V580-I583 WeakPolarHBondContact O-CB 3.45Å; V580-I583 PolarHBondContact O-N 2.6Å; V580-L584 PolarHBondContact O-N 3.08Å
581	A	89.9	Confident	91.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.6	-45.7	-177.8	0	0	0	0	0	114.6	M217 G428 P432 L577 I583 L584 S585	M217-A581 HydrophobicContact CE-CB 3.89Å; M217-A581 HydrophobicContact SD-CB 4.23Å; G428-A581 CarbonylContact O-C 3.56Å; P432-A581 HydrophobicContact CG-CB 3.97Å; L577-A581 PolarHBondContact O-N 3.37Å; A581-I583 PolarHBondContact O-N 3.33Å; A581-L584 PolarHBondContact O-N 3.08Å; A581-S585 PolarHBondContact O-N 2.84Å; A581-S585 PolarHBondContact O-OG 2.57Å
582	P	89.2	Confident	91.6	Very high	30 Å²	30	21 Å²	21	20%	0.195	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-36.6	172	-27.7	35.8	0	0	0	114.4	D578 S585 M586	D578-P582 WeakPolarHBondContact O-CD 3.42Å; P582-S585 WeakPolarHBondContact O-CB 3.46Å; P582-S585 PolarHBondContact O-N 2.96Å; P582-M586 PolarHBondContact O-N 2.65Å; P582-M586 VanDerWaalsContact O-N 3.14Å
583	I	89.7	Confident	91.5	Very high	49 Å²	49	21.7 Å²	21.7	25%	0.251	11%	0.112	S	C	.	.	H	α-helix	trans	-64.1	-47.5	178.4	-62.5	170.9	0	0	0	110.1	F213 I574 V580 A581 S585 M586 F587	F213-I583 HydrophobicContact CD2-CG2 4.47Å; F213-I583 HydrophobicContact CE1-CG2 4.5Å; F213-I583 HydrophobicContact CE2-CG2 4.47Å; F213-I583 HydrophobicContact CZ-CG2 4.48Å; I574-I583 HydrophobicContact CD1-CD1 4.06Å; V580-I583 WeakPolarHBondContact O-CB 3.45Å; V580-I583 PolarHBondContact O-N 2.6Å; A581-I583 PolarHBondContact O-N 3.33Å; I583-S585 VanDerWaalsContact C-N 3.31Å; I583-S585 PolarHBondContact O-N 3.35Å; I583-M586 PolarHBondContact O-N 2.98Å; I583-F587 HydrophobicContact CG2-CD2 4.48Å; I583-F587 HydrophobicContact CG2-CE2 3.95Å; I583-F587 VanDerWaalsContact O-CD2 3.31Å; I583-F587 WeakPolarHBondContact O-CD2 3.38Å
584	L	90.6	Very high	91.4	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-56.3	-45.8	173	178.3	157.1	0	0	0	111.5	F213 A214 M217 P432 T435 V580 A581 M586 F587 F588	F213-L584 HydrophobicContact CB-CB 4.34Å; A214-L584 HydrophobicContact CB-CD1 3.65Å; M217-L584 HydrophobicContact CB-CD1 4.43Å; M217-L584 HydrophobicContact SD-CD1 3.9Å; P432-L584 HydrophobicContact CB-CD2 3.85Å; P432-L584 HydrophobicContact CG-CD2 3.92Å; T435-L584 HydrophobicContact CG2-CD2 4.47Å; V580-L584 PolarHBondContact O-N 3.08Å; A581-L584 PolarHBondContact O-N 3.08Å; L584-M586 VanDerWaalsContact C-N 3.28Å; L584-M586 PolarHBondContact O-N 3.03Å; L584-F587 PolarHBondContact O-N 2.73Å; L584-F587 VanDerWaalsContact O-N 3.15Å; L584-F588 HydrophobicContact CD1-CE2 4.4Å; L584-F588 HydrophobicContact CD2-CD2 3.43Å; L584-F588 VanDerWaalsContact CD2-CD2 3.43Å; L584-F588 HydrophobicContact CD2-CE2 3.75Å; L584-F588 HydrophobicContact CG-CD2 3.82Å; L584-F588 HydrophobicContact CG-CE2 3.84Å; L584-F588 WeakPolarHBondContact O-CD2 3.49Å; L584-F588 PolarHBondContact O-N 3.12Å
585	S	91.4	Very high	91.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.8	-35.7	-178.8	-64.2	0	0	0	0	112.7	G428 P432 A581 P582 I583 L589	G428-S585 PolarHBondContact O-OG 3.31Å; G428-S585 VanDerWaalsContact O-OG 3.1Å; P432-S585 WeakPolarHBondContact CD-OG 3.22Å; A581-S585 PolarHBondContact O-N 2.84Å; A581-S585 PolarHBondContact O-OG 2.57Å; P582-S585 WeakPolarHBondContact O-CB 3.46Å; P582-S585 PolarHBondContact O-N 2.96Å; I583-S585 VanDerWaalsContact C-N 3.31Å; I583-S585 PolarHBondContact O-N 3.35Å; S585-L589 VanDerWaalsContact O-CB 3.28Å; S585-L589 WeakPolarHBondContact O-CB 3.49Å; S585-L589 WeakPolarHBondContact O-CD1 3.4Å; S585-L589 VanDerWaalsContact O-CG 3.26Å; S585-L589 WeakPolarHBondContact O-CG 3.42Å; S585-L589 PolarHBondContact O-N 3.23Å
586	M	90.9	Very high	91.8	Very high	11 Å²	11	16 Å²	16	5%	0.054	8%	0.081	C	C	.	.	H	α-helix	trans	-60.9	-45.2	175	-66.6	-57.6	97.7	0	0	112.3	P582 I583 L584 L589 M590 M633 C636	P582-M586 PolarHBondContact O-N 2.65Å; P582-M586 VanDerWaalsContact O-N 3.14Å; I583-M586 PolarHBondContact O-N 2.98Å; L584-M586 VanDerWaalsContact C-N 3.28Å; L584-M586 PolarHBondContact O-N 3.03Å; M586-L589 HydrophobicContact CE-CD1 4.1Å; M586-M590 VanDerWaalsContact O-CB 3.27Å; M586-M590 WeakPolarHBondContact O-CB 3.35Å; M586-M590 PolarHBondContact O-N 3.23Å; M586-M633 HydrophobicContact SD-CB 4.45Å; M586-C636 HydrophobicContact CE-CB 3.54Å
587	F	92.3	Very high	92	Very high	41 Å²	41	17.6 Å²	17.6	18%	0.18	9%	0.087	C	C	.	.	H	α-helix	trans	-67.7	-40.4	-179.1	-68.7	-64.7	0	0	0	112.6	L209 F213 I583 L584 C591	L209-F587 HydrophobicContact CB-CD1 3.85Å; L209-F587 HydrophobicContact CB-CD2 4.32Å; L209-F587 HydrophobicContact CB-CE1 3.9Å; L209-F587 HydrophobicContact CB-CE2 4.35Å; L209-F587 HydrophobicContact CB-CG 4.08Å; L209-F587 HydrophobicContact CB-CZ 4.16Å; L209-F587 HydrophobicContact CD1-CD1 4.18Å; L209-F587 HydrophobicContact CD1-CE1 3.61Å; L209-F587 HydrophobicContact CD1-CZ 4.11Å; L209-F587 HydrophobicContact CG-CE1 4.4Å; F213-F587 HydrophobicContact CD2-CD2 4Å; F213-F587 AromaticContact CD2-CE2 3.66Å; F213-F587 HydrophobicContact CD2-CE2 3.66Å; F213-F587 HydrophobicContact CE2-CD2 4.44Å; F213-F587 AromaticContact CE2-CE2 3.65Å; F213-F587 HydrophobicContact CE2-CE2 3.65Å; F213-F587 HydrophobicContact CE2-CZ 4.28Å; I583-F587 HydrophobicContact CG2-CD2 4.48Å; I583-F587 HydrophobicContact CG2-CE2 3.95Å; I583-F587 VanDerWaalsContact O-CD2 3.31Å; I583-F587 WeakPolarHBondContact O-CD2 3.38Å; L584-F587 PolarHBondContact O-N 2.73Å; L584-F587 VanDerWaalsContact O-N 3.15Å; F587-C591 VanDerWaalsContact O-CB 3.3Å; F587-C591 WeakPolarHBondContact O-CB 3.37Å; F587-C591 PolarHBondContact O-N 3.45Å
588	F	92.4	Very high	92.2	Very high	7 Å²	7	17.4 Å²	17.4	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	-71.7	-43	177.3	-81.5	-75.8	0	0	0	112.9	F207 G210 F431 T435 L584 M590 C591 Y592	F207-F588 AromaticContact CD2-CE1 3.79Å; F207-F588 HydrophobicContact CD2-CE1 3.79Å; F207-F588 HydrophobicContact CD2-CZ 4.46Å; F207-F588 AromaticContact CE2-CE1 3.87Å; F207-F588 HydrophobicContact CE2-CE1 3.87Å; F207-F588 HydrophobicContact CE2-CZ 4.48Å; G210-F588 WeakPolarHBondContact O-CE2 3.39Å; F431-F588 HydrophobicContact CE1-CB 4.02Å; T435-F588 HydrophobicContact CG2-CB 3.91Å; T435-F588 HydrophobicContact CG2-CD1 4.26Å; T435-F588 HydrophobicContact CG2-CD2 4.07Å; T435-F588 HydrophobicContact CG2-CG 3.82Å; L584-F588 HydrophobicContact CD1-CE2 4.4Å; L584-F588 HydrophobicContact CD2-CD2 3.43Å; L584-F588 VanDerWaalsContact CD2-CD2 3.43Å; L584-F588 HydrophobicContact CD2-CE2 3.75Å; L584-F588 HydrophobicContact CG-CD2 3.82Å; L584-F588 HydrophobicContact CG-CE2 3.84Å; L584-F588 WeakPolarHBondContact O-CD2 3.49Å; L584-F588 PolarHBondContact O-N 3.12Å; F588-M590 VanDerWaalsContact C-N 3.3Å; F588-M590 PolarHBondContact O-N 3.33Å; F588-C591 WeakPolarHBondContact O-CB 3.17Å; F588-C591 PolarHBondContact O-N 3.37Å; F588-Y592 HydrophobicContact CB-CE2 4.35Å; F588-Y592 HydrophobicContact CD1-CE1 4.22Å; F588-Y592 AromaticContact CD1-CZ 3.92Å; F588-Y592 WeakPolarHBondContact O-CD2 3.22Å; F588-Y592 PolarHBondContact O-N 3.05Å
589	L	93.7	Very high	92.4	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-59.8	-41.4	174.7	-76.2	166.4	0	0	0	111.8	F431 S585 M586 Y592 M593 L632 M633	F431-L589 HydrophobicContact CD1-CG 4.2Å; F431-L589 HydrophobicContact CD2-CD2 4.18Å; F431-L589 HydrophobicContact CE1-CD2 3.98Å; F431-L589 HydrophobicContact CE1-CG 3.7Å; F431-L589 HydrophobicContact CE2-CD2 3.49Å; F431-L589 VanDerWaalsContact CE2-CD2 3.49Å; F431-L589 HydrophobicContact CE2-CG 4.12Å; F431-L589 HydrophobicContact CZ-CD2 3.38Å; F431-L589 HydrophobicContact CZ-CG 3.66Å; S585-L589 VanDerWaalsContact O-CB 3.28Å; S585-L589 WeakPolarHBondContact O-CB 3.49Å; S585-L589 WeakPolarHBondContact O-CD1 3.4Å; S585-L589 VanDerWaalsContact O-CG 3.26Å; S585-L589 WeakPolarHBondContact O-CG 3.42Å; S585-L589 PolarHBondContact O-N 3.23Å; M586-L589 HydrophobicContact CE-CD1 4.1Å; L589-Y592 PolarHBondContact O-N 2.98Å; L589-M593 VanDerWaalsContact O-CB 3.3Å; L589-M593 WeakPolarHBondContact O-CB 3.38Å; L589-M593 PolarHBondContact O-N 3.42Å; L589-L632 HydrophobicContact CD1-CB 3.88Å; L589-L632 HydrophobicContact CD2-CB 3.76Å; L589-L632 HydrophobicContact CD2-CD1 3.91Å; L589-M633 HydrophobicContact CB-CG 3.46Å; L589-M633 VanDerWaalsContact CB-CG 3.46Å; L589-M633 HydrophobicContact CB-SD 3.99Å; L589-M633 HydrophobicContact CD1-CG 3.83Å; L589-M633 HydrophobicContact CG-CG 4.23Å
590	M	92.4	Very high	92.6	Very high	4 Å²	4	11.3 Å²	11.3	2%	0.02	6%	0.058	C	C	.	.	H	α-helix	trans	-66.3	-42.5	176.7	-170	-156.3	-58	0	0	112.3	C206 M586 F588 Y592 M593 F594 M633 A644 A648	C206-M590 HydrophobicContact CB-SD 4.47Å; C206-M590 PolarHBondContact SG-SD 2.91Å; M586-M590 VanDerWaalsContact O-CB 3.27Å; M586-M590 WeakPolarHBondContact O-CB 3.35Å; M586-M590 PolarHBondContact O-N 3.23Å; F588-M590 VanDerWaalsContact C-N 3.3Å; F588-M590 PolarHBondContact O-N 3.33Å; M590-Y592 VanDerWaalsContact C-N 3.34Å; M590-Y592 PolarHBondContact O-N 3.24Å; M590-M593 HydrophobicContact CG-CE 4.28Å; M590-M593 WeakPolarHBondContact O-CB 3.47Å; M590-M593 PolarHBondContact O-N 3.38Å; M590-F594 HydrophobicContact CG-CD2 3.9Å; M590-F594 HydrophobicContact CG-CE2 3.51Å; M590-F594 HydrophobicContact CG-CZ 4.42Å; M590-F594 VanDerWaalsContact O-CD2 3.25Å; M590-F594 WeakPolarHBondContact O-CD2 3.48Å; M590-F594 PolarHBondContact O-N 3.49Å; M590-F594 HydrophobicContact SD-CD2 4.42Å; M590-F594 HydrophobicContact SD-CE2 3.71Å; M590-M633 HydrophobicContact CB-CE 4.14Å; M590-M633 HydrophobicContact CB-SD 4.19Å; M590-M633 HydrophobicContact CG-CE 4.5Å; M590-A644 VanDerWaalsContact CE-C 3.45Å; M590-A644 HydrophobicContact CE-CB 3.31Å; M590-A644 VanDerWaalsContact CE-O 3.32Å; M590-A644 WeakPolarHBondContact CE-O 3.49Å; M590-A648 HydrophobicContact CE-CB 4.44Å; M590-A648 HydrophobicContact SD-CB 3.45Å; M590-A648 WeakPolarHBondContact SD-CB 3.13Å
591	C	92.8	Very high	92.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-56.2	-47.9	173.6	177.1	0	0	0	0	111.3	C206 M438 F587 F588 F594 V595	C206-C591 HydrophobicContact CB-CB 4.29Å; M438-C591 VanDerWaalsContact CE-SG 3.54Å; F587-C591 VanDerWaalsContact O-CB 3.3Å; F587-C591 WeakPolarHBondContact O-CB 3.37Å; F587-C591 PolarHBondContact O-N 3.45Å; F588-C591 WeakPolarHBondContact O-CB 3.17Å; F588-C591 PolarHBondContact O-N 3.37Å; C591-F594 PolarHBondContact O-N 2.92Å; C591-V595 WeakPolarHBondContact O-CG2 3.34Å; C591-V595 PolarHBondContact O-N 3.33Å; C591-V595 VanDerWaalsContact O-N 3.16Å
592	Y	94.7	Very high	92.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.5	-37.7	178.3	-60	-14.8	0	0	0	112.3	T166 T169 F431 I437 M438 F588 L589 M590 F594 V595 N596	T166-Y592 HydrophobicContact CG2-CD2 4.42Å; T166-Y592 HydrophobicContact CG2-CE2 4.03Å; T169-Y592 HydrophobicContact CG2-CD1 3.9Å; T169-Y592 HydrophobicContact CG2-CG 3.83Å; F431-Y592 HydrophobicContact CE1-CE2 4.46Å; F431-Y592 HydrophobicContact CZ-CD2 4.08Å; F431-Y592 HydrophobicContact CZ-CE2 4.01Å; I437-Y592 HydrophobicContact CD1-CE1 4.21Å; I437-Y592 HydrophobicContact CG1-CE1 4.11Å; M438-Y592 HydrophobicContact CE-CD1 4.38Å; M438-Y592 HydrophobicContact CE-CE1 4.36Å; F588-Y592 HydrophobicContact CB-CE2 4.35Å; F588-Y592 HydrophobicContact CD1-CE1 4.22Å; F588-Y592 AromaticContact CD1-CZ 3.92Å; F588-Y592 WeakPolarHBondContact O-CD2 3.22Å; F588-Y592 PolarHBondContact O-N 3.05Å; L589-Y592 PolarHBondContact O-N 2.98Å; M590-Y592 VanDerWaalsContact C-N 3.34Å; M590-Y592 PolarHBondContact O-N 3.24Å; Y592-F594 PolarHBondContact O-N 2.95Å; Y592-V595 PolarHBondContact O-N 3.26Å; Y592-N596 WeakPolarHBondContact O-CB 3.49Å; Y592-N596 VanDerWaalsContact O-CG 3.3Å; Y592-N596 PolarHBondContact O-N 3.34Å; Y592-N596 PolarHBondContact O-ND2 3.04Å
593	M	94.4	Very high	92.7	Very high	13 Å²	13	15.1 Å²	15.1	6%	0.064	8%	0.08	C	C	.	.	H	α-helix	trans	-57.4	-47.7	173.2	-175.9	-165.1	70	0	0	111.4	L589 M590 N596 L597 M626 C629 L630 M645	L589-M593 VanDerWaalsContact O-CB 3.3Å; L589-M593 WeakPolarHBondContact O-CB 3.38Å; L589-M593 PolarHBondContact O-N 3.42Å; M590-M593 HydrophobicContact CG-CE 4.28Å; M590-M593 WeakPolarHBondContact O-CB 3.47Å; M590-M593 PolarHBondContact O-N 3.38Å; M593-N596 PolarHBondContact O-N 3.03Å; M593-L597 VanDerWaalsContact O-CB 3.25Å; M593-L597 WeakPolarHBondContact O-CB 3.29Å; M593-L597 PolarHBondContact O-N 3.48Å; M593-M626 HydrophobicContact CG-CG 4Å; M593-C629 HydrophobicContact CB-CB 3.78Å; M593-C629 HydrophobicContact CG-CB 4.4Å; M593-L630 HydrophobicContact SD-CD1 4.48Å; M593-M645 HydrophobicContact SD-SD 4.49Å
594	F	93.6	Very high	92.7	Very high	21 Å²	21	17.5 Å²	17.5	9%	0.092	9%	0.092	C	C	.	.	H	α-helix	trans	-67.9	-40	180	-76.2	-55.1	0	0	0	113.3	V203 M590 C591 Y592 N596 L597 A598 A648	V203-F594 HydrophobicContact CG2-CB 3.67Å; M590-F594 HydrophobicContact CG-CD2 3.9Å; M590-F594 HydrophobicContact CG-CE2 3.51Å; M590-F594 HydrophobicContact CG-CZ 4.42Å; M590-F594 VanDerWaalsContact O-CD2 3.25Å; M590-F594 WeakPolarHBondContact O-CD2 3.48Å; M590-F594 PolarHBondContact O-N 3.49Å; M590-F594 HydrophobicContact SD-CD2 4.42Å; M590-F594 HydrophobicContact SD-CE2 3.71Å; C591-F594 PolarHBondContact O-N 2.92Å; Y592-F594 PolarHBondContact O-N 2.95Å; F594-N596 VanDerWaalsContact C-N 3.34Å; F594-N596 PolarHBondContact O-N 3.44Å; F594-L597 HydrophobicContact CD1-CD2 4.27Å; F594-L597 PolarHBondContact O-N 3.04Å; F594-A598 VanDerWaalsContact O-CB 3.26Å; F594-A598 WeakPolarHBondContact O-CB 3.24Å; F594-A598 PolarHBondContact O-N 3.14Å; F594-A648 HydrophobicContact CE2-CB 3.56Å; F594-A648 HydrophobicContact CZ-CB 3.69Å
595	V	93.9	Very high	92.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-59.8	-45.4	173.9	168.4	0	0	0	0	110.9	T169 I176 V203 M438 C591 Y592 C599	T169-V595 HydrophobicContact CG2-CG1 4.46Å; I176-V595 HydrophobicContact CD1-CG1 3.94Å; V203-V595 HydrophobicContact CG1-CG2 3.9Å; V203-V595 HydrophobicContact CG2-CG2 4.23Å; M438-V595 HydrophobicContact CE-CG2 3.97Å; C591-V595 WeakPolarHBondContact O-CG2 3.34Å; C591-V595 PolarHBondContact O-N 3.33Å; C591-V595 VanDerWaalsContact O-N 3.16Å; Y592-V595 PolarHBondContact O-N 3.26Å; V595-C599 PolarHBondContact O-N 3.33Å; V595-C599 PolarHBondContact O-SG 3.05Å; V595-C599 VanDerWaalsContact O-SG 3.39Å
596	N	96.1	Very high	92	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.9	-43.8	178.3	-76.5	-39	0	0	0	112.8	T169 S172 Y592 M593 F594 A600 S622 M626	T169-N596 WeakPolarHBondContact CA-OD1 3.32Å; T169-N596 PolarHBondContact OG1-ND2 3.3Å; S172-N596 VanDerWaalsContact CB-OD1 3.28Å; S172-N596 WeakPolarHBondContact CB-OD1 3.13Å; S172-N596 PolarHBondContact OG-OD1 2.86Å; Y592-N596 WeakPolarHBondContact O-CB 3.49Å; Y592-N596 VanDerWaalsContact O-CG 3.3Å; Y592-N596 PolarHBondContact O-N 3.34Å; Y592-N596 PolarHBondContact O-ND2 3.04Å; M593-N596 PolarHBondContact O-N 3.03Å; F594-N596 VanDerWaalsContact C-N 3.34Å; F594-N596 PolarHBondContact O-N 3.44Å; N596-A600 PolarHBondContact O-N 3.21Å; N596-S622 WeakPolarHBondContact CB-O 3.23Å; N596-S622 WeakPolarHBondContact O-CB 3.31Å; N596-M626 HydrophobicContact CB-CB 3.86Å
597	L	94.2	Very high	91.6	Very high	55 Å²	55	31.4 Å²	31.4	29%	0.288	15%	0.153	S	C	.	.	H	α-helix	trans	-59.5	-48.1	175.4	172.8	63.8	0	0	0	111.3	M593 F594 A600 V601 M626	M593-L597 VanDerWaalsContact O-CB 3.25Å; M593-L597 WeakPolarHBondContact O-CB 3.29Å; M593-L597 PolarHBondContact O-N 3.48Å; F594-L597 HydrophobicContact CD1-CD2 4.27Å; F594-L597 PolarHBondContact O-N 3.04Å; L597-A600 PolarHBondContact O-N 2.85Å; L597-V601 HydrophobicContact CD1-CG2 3.66Å; L597-V601 HydrophobicContact CG-CG2 4.28Å; L597-V601 WeakPolarHBondContact O-CB 3.5Å; L597-V601 VanDerWaalsContact O-CG2 3.28Å; L597-V601 WeakPolarHBondContact O-CG2 3.48Å; L597-V601 PolarHBondContact O-N 3.3Å; L597-M626 HydrophobicContact CB-CG 4.16Å; L597-M626 HydrophobicContact CB-SD 3.93Å; L597-M626 HydrophobicContact CD1-SD 3.61Å; L597-M626 HydrophobicContact CG-SD 4.32Å
598	A	92.3	Very high	90.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-50.6	-176.6	0	0	0	0	0	111.9	L195 F199 F594 A600 V601 Q602	L195-A598 HydrophobicContact CD1-CB 3.76Å; L195-A598 HydrophobicContact CD2-CB 4.18Å; F199-A598 HydrophobicContact CD1-CB 3.8Å; F199-A598 HydrophobicContact CD2-CB 4.45Å; F199-A598 HydrophobicContact CE1-CB 3.94Å; F199-A598 HydrophobicContact CG-CB 4.07Å; F199-A598 HydrophobicContact CZ-CB 4.33Å; F594-A598 VanDerWaalsContact O-CB 3.26Å; F594-A598 WeakPolarHBondContact O-CB 3.24Å; F594-A598 PolarHBondContact O-N 3.14Å; A598-A600 VanDerWaalsContact C-N 3.34Å; A598-A600 PolarHBondContact O-N 3.06Å; A598-V601 PolarHBondContact O-N 3.34Å; A598-Q602 VanDerWaalsContact O-CB 3.28Å; A598-Q602 WeakPolarHBondContact O-CB 3.47Å; A598-Q602 VanDerWaalsContact O-CG 3.25Å; A598-Q602 WeakPolarHBondContact O-CG 3.42Å; A598-Q602 PolarHBondContact O-N 3.34Å
599	C	93.7	Very high	90.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.7	-46.9	177.7	-66.5	0	0	0	0	112.1	V595 Q602 T603 W610 Y617	V595-C599 PolarHBondContact O-N 3.33Å; V595-C599 PolarHBondContact O-SG 3.05Å; V595-C599 VanDerWaalsContact O-SG 3.39Å; C599-Q602 PolarHBondContact O-N 2.72Å; C599-T603 PolarHBondContact O-N 3.47Å; C599-T603 VanDerWaalsContact O-N 3.08Å; C599-T603 PolarHBondContact O-OG1 2.9Å; C599-W610 HydrophobicContact CB-CH2 4.33Å; C599-W610 HydrophobicContact CB-CZ2 3.9Å; C599-Y617 VanDerWaalsContact C-OH 3.32Å; C599-Y617 HydrophobicContact CB-CE2 4.18Å; C599-Y617 PolarHBondContact O-OH 2.89Å
600	A	94.6	Very high	90.1	Very high	3 Å²	3	38.1 Å²	38.1	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-48.6	178.8	0	0	0	0	0	112	N596 L597 A598 Q602 T603 L604	N596-A600 PolarHBondContact O-N 3.21Å; L597-A600 PolarHBondContact O-N 2.85Å; A598-A600 VanDerWaalsContact C-N 3.34Å; A598-A600 PolarHBondContact O-N 3.06Å; A600-Q602 PolarHBondContact O-N 3.41Å; A600-T603 PolarHBondContact O-N 2.95Å; A600-L604 WeakPolarHBondContact O-CB 3.46Å; A600-L604 VanDerWaalsContact O-CG 3.25Å; A600-L604 WeakPolarHBondContact O-CG 3.38Å; A600-L604 PolarHBondContact O-N 2.96Å
601	V	91.8	Very high	89.9	Confident	49 Å²	49	45.9 Å²	45.9	30%	0.297	22%	0.22	S	C	.	.	H	α-helix	trans	-63.2	-41.2	179	168.7	0	0	0	0	111.5	L597 A598 L604 L605	L597-V601 HydrophobicContact CD1-CG2 3.66Å; L597-V601 HydrophobicContact CG-CG2 4.28Å; L597-V601 WeakPolarHBondContact O-CB 3.5Å; L597-V601 VanDerWaalsContact O-CG2 3.28Å; L597-V601 WeakPolarHBondContact O-CG2 3.48Å; L597-V601 PolarHBondContact O-N 3.3Å; A598-V601 PolarHBondContact O-N 3.34Å; V601-L604 PolarHBondContact O-N 3.03Å; V601-L605 HydrophobicContact CG1-CD1 3.56Å; V601-L605 HydrophobicContact CG1-CG 4.07Å; V601-L605 VanDerWaalsContact O-CB 3.3Å; V601-L605 WeakPolarHBondContact O-CB 3.31Å; V601-L605 WeakPolarHBondContact O-CG 3.36Å; V601-L605 PolarHBondContact O-N 3.39Å
602	Q	90.8	Very high	89.8	Confident	18 Å²	18	47.3 Å²	47.3	8%	0.084	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-38.8	-179.1	-74.9	-173.7	-0.7	0	0	112.7	L195 A598 C599 A600 R606 T607 W610	L195-Q602 VanDerWaalsContact CD2-OE1 3.27Å; L195-Q602 PolarHBondContact O-NE2 3.45Å; A598-Q602 VanDerWaalsContact O-CB 3.28Å; A598-Q602 WeakPolarHBondContact O-CB 3.47Å; A598-Q602 VanDerWaalsContact O-CG 3.25Å; A598-Q602 WeakPolarHBondContact O-CG 3.42Å; A598-Q602 PolarHBondContact O-N 3.34Å; C599-Q602 PolarHBondContact O-N 2.72Å; A600-Q602 PolarHBondContact O-N 3.41Å; Q602-R606 PolarHBondContact O-N 3.41Å; Q602-T607 WeakPolarHBondContact CA-OG1 3.47Å; Q602-T607 HydrophobicContact CB-CG2 4.39Å; Q602-T607 VanDerWaalsContact CB-OG1 3.31Å; Q602-T607 WeakPolarHBondContact CB-OG1 3.21Å; Q602-T607 HydrophobicContact CG-CG2 4.08Å; Q602-T607 PolarHBondContact O-N 3.14Å; Q602-T607 PolarHBondContact O-OG1 3.02Å; Q602-W610 HydrophobicContact CB-CB 4.33Å; Q602-W610 HydrophobicContact CB-CD2 4.05Å; Q602-W610 HydrophobicContact CB-CG 3.8Å
603	T	90.5	Very high	89.5	Confident	43 Å²	43	55.5 Å²	55.5	26%	0.264	26%	0.26	S	S	.	.	H	α-helix	trans	-66.1	-45.1	170.3	-67.2	0	0	0	0	112	C599 A600 R606 W610 Y617 W619	C599-T603 PolarHBondContact O-N 3.47Å; C599-T603 VanDerWaalsContact O-N 3.08Å; C599-T603 PolarHBondContact O-OG1 2.9Å; A600-T603 PolarHBondContact O-N 2.95Å; T603-R606 PolarHBondContact O-N 2.87Å; T603-W610 PolarHBondContact OG1-NE1 3.29Å; T603-Y617 WeakPolarHBondContact OG1-CE1 3.28Å; T603-Y617 PolarHBondContact OG1-OH 2.95Å; T603-W619 HydrophobicContact CG2-CB 3.94Å; T603-W619 HydrophobicContact CG2-CG 4.43Å
604	L	89.3	Confident	89.4	Confident	98 Å²	98	56.5 Å²	56.5	51%	0.513	26%	0.264	S	S	.	.	H	α-helix	trans	-67.6	-39.5	-178	-73.3	169.1	0	0	0	112.9	A600 V601 R606 W619	A600-L604 WeakPolarHBondContact O-CB 3.46Å; A600-L604 VanDerWaalsContact O-CG 3.25Å; A600-L604 WeakPolarHBondContact O-CG 3.38Å; A600-L604 PolarHBondContact O-N 2.96Å; V601-L604 PolarHBondContact O-N 3.03Å; L604-R606 VanDerWaalsContact C-N 3.3Å; L604-R606 PolarHBondContact O-N 3.44Å; L604-W619 HydrophobicContact CD1-CE3 4.16Å; L604-W619 HydrophobicContact CD2-CD2 3.94Å; L604-W619 HydrophobicContact CD2-CE3 4.05Å; L604-W619 HydrophobicContact CD2-CG 4.36Å; L604-W619 HydrophobicContact CD2-CZ3 4.42Å; L604-W619 HydrophobicContact CG-CD2 4.41Å; L604-W619 HydrophobicContact CG-CE3 4.34Å
605	L	85.3	Confident	89.2	Confident	82 Å²	82	66.1 Å²	66.1	43%	0.429	30%	0.3	S	S	.	.	H	α-helix	trans	-79.4	-8.9	180	-69.7	-178.2	0	0	0	114.3	V601 R682	V601-L605 HydrophobicContact CG1-CD1 3.56Å; V601-L605 HydrophobicContact CG1-CG 4.07Å; V601-L605 VanDerWaalsContact O-CB 3.3Å; V601-L605 WeakPolarHBondContact O-CB 3.31Å; V601-L605 WeakPolarHBondContact O-CG 3.36Å; V601-L605 PolarHBondContact O-N 3.39Å; L605-R682 WeakPolarHBondContact O-CD 3.38Å; L605-R682 PolarHBondContact O-NH1 2.63Å
606	R	82.9	Confident	89.2	Confident	197 Å²	197	73.9 Å²	73.9	74%	0.743	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	68.8	-169.7	-59.5	-175.2	-176.2	-172.9	0.2	111.2	Q602 T603 L604	Q602-R606 PolarHBondContact O-N 3.41Å; T603-R606 PolarHBondContact O-N 2.87Å; L604-R606 VanDerWaalsContact C-N 3.3Å; L604-R606 PolarHBondContact O-N 3.44Å
607	T	81.6	Confident	89.2	Confident	27 Å²	27	75.3 Å²	75.3	17%	0.166	34%	0.336	C	S	.	.			trans	-68.8	126.9	170.7	31.6	0	0	0	0	109.3	Q602 N609 W610 Y678	Q602-T607 WeakPolarHBondContact CA-OG1 3.47Å; Q602-T607 HydrophobicContact CB-CG2 4.39Å; Q602-T607 VanDerWaalsContact CB-OG1 3.31Å; Q602-T607 WeakPolarHBondContact CB-OG1 3.21Å; Q602-T607 HydrophobicContact CG-CG2 4.08Å; Q602-T607 PolarHBondContact O-N 3.14Å; Q602-T607 PolarHBondContact O-OG1 3.02Å; T607-N609 VanDerWaalsContact C-N 3.28Å; T607-N609 PolarHBondContact O-N 2.62Å; T607-N609 VanDerWaalsContact O-N 3.15Å; T607-W610 PolarHBondContact O-N 3.37Å; T607-W610 WeakPolarHBondContact OG1-CB 3.32Å; T607-Y678 WeakPolarHBondContact CA-OH 3.41Å; T607-Y678 HydrophobicContact CG2-CE2 3.97Å; T607-Y678 WeakPolarHBondContact CG2-OH 3.46Å
608	P	76.5	Confident	89.2	Confident	27 Å²	27	77.1 Å²	77.1	18%	0.175	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.7	-170.7	-31.3	36.5	0	0	0	115.1	W610 R611 E685	P608-W610 VanDerWaalsContact C-N 3.33Å; P608-W610 PolarHBondContact O-N 3.01Å; P608-R611 PolarHBondContact O-NE 3.41Å; P608-E685 WeakPolarHBondContact CA-OE2 3.48Å
609	N	82.8	Confident	89.3	Confident	146 Å²	146	81.5 Å²	81.5	78%	0.781	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	3.6	-177.3	-63.8	-1.4	0	0	0	113.9	N179 T607	N179-N609 PolarHBondContact ND2-O 3.11Å; N179-N609 PolarHBondContact OD1-O 3.13Å; T607-N609 VanDerWaalsContact C-N 3.28Å; T607-N609 PolarHBondContact O-N 2.62Å; T607-N609 VanDerWaalsContact O-N 3.15Å
610	W	87.1	Confident	89.4	Confident	17 Å²	17	84.4 Å²	84.4	6%	0.064	38%	0.377	C	S	.	.			trans	-107.1	95.1	-177	-176.8	-108.9	0	0	0	111.2	A175 I176 N179 L195 C599 Q602 T603 T607 P608 P612	A175-W610 HydrophobicContact CB-CH2 4.24Å; A175-W610 HydrophobicContact CB-CZ2 4.22Å; I176-W610 HydrophobicContact CG1-CH2 3.8Å; I176-W610 HydrophobicContact CG1-CZ3 4.12Å; N179-W610 HydrophobicContact CB-CE3 4.11Å; N179-W610 HydrophobicContact CB-CZ3 3.99Å; L195-W610 HydrophobicContact CD2-CE3 4.47Å; L195-W610 HydrophobicContact CD2-CH2 4.25Å; L195-W610 HydrophobicContact CD2-CZ3 3.87Å; C599-W610 HydrophobicContact CB-CH2 4.33Å; C599-W610 HydrophobicContact CB-CZ2 3.9Å; Q602-W610 HydrophobicContact CB-CB 4.33Å; Q602-W610 HydrophobicContact CB-CD2 4.05Å; Q602-W610 HydrophobicContact CB-CG 3.8Å; T603-W610 PolarHBondContact OG1-NE1 3.29Å; T607-W610 PolarHBondContact O-N 3.37Å; T607-W610 WeakPolarHBondContact OG1-CB 3.32Å; P608-W610 VanDerWaalsContact C-N 3.33Å; P608-W610 PolarHBondContact O-N 3.01Å; W610-P612 VanDerWaalsContact C-CD 3.49Å; W610-P612 HydrophobicContact CZ2-CB 4.36Å; W610-P612 HydrophobicContact CZ2-CG 4.07Å
611	R	89.2	Confident	89.4	Confident	166 Å²	166	86.8 Å²	86.8	63%	0.626	39%	0.389	S	S	*	.			trans	-133.4	61.1	-176.5	-55.5	-177.4	-174.1	-164.5	-1.1	109.8	N179 P608 R613 E685	N179-R611 PolarHBondContact OD1-N 3.1Å; P608-R611 PolarHBondContact O-NE 3.41Å; R611-R613 PolarHBondContact O-N 2.85Å; R611-E685 IonicContact CZ-OE1 3.22Å; R611-E685 IonicContact NH2-OE1 2.79Å; R611-E685 PolarHBondContact NH2-OE1 2.95Å
612	P	89.9	Confident	89.6	Confident	31 Å²	31	84.5 Å²	84.5	20%	0.201	38%	0.375	C	S	.	.			trans	-62.3	130.1	-175.8	26.5	-35.5	0	0	0	111.4	A175 W610 Y617	A175-P612 HydrophobicContact CB-CB 3.86Å; W610-P612 VanDerWaalsContact C-CD 3.49Å; W610-P612 HydrophobicContact CZ2-CB 4.36Å; W610-P612 HydrophobicContact CZ2-CG 4.07Å; P612-Y617 HydrophobicContact CB-CD1 4.29Å; P612-Y617 HydrophobicContact CG-CD1 3.76Å; P612-Y617 HydrophobicContact CG-CE1 3.7Å
613	R	89.3	Confident	89.9	Confident	171 Å²	171	88.7 Å²	88.7	65%	0.645	39%	0.394	S	S	*	.			trans	-96.6	3.3	-174.5	-63.3	-174.4	-68	159.2	4.3	114.3	Q451 R611 R615	Q451-R613 VanDerWaalsContact CD-NH2 3.33Å; R611-R613 PolarHBondContact O-N 2.85Å; R613-R615 PolarHBondContact O-N 3.46Å
614	F	92.2	Very high	90.1	Very high	35 Å²	35	90.6 Å²	90.6	15%	0.154	40%	0.401	C	S	.	.			trans	-73.9	116.2	-178.3	-173.2	-119.2	0	0	0	112.5	I171 T178 P455 I459 Y616 Y617	I171-F614 HydrophobicContact CG2-CE1 4.34Å; T178-F614 HydrophobicContact CG2-CB 4.29Å; T178-F614 WeakPolarHBondContact OG1-CB 3.43Å; T178-F614 PolarHBondContact OG1-N 3.16Å; P455-F614 HydrophobicContact CB-CD2 4.23Å; P455-F614 HydrophobicContact CB-CE2 3.81Å; P455-F614 HydrophobicContact CB-CZ 4.43Å; P455-F614 HydrophobicContact CG-CD2 4.5Å; I459-F614 HydrophobicContact CD1-CE1 4.36Å; I459-F614 HydrophobicContact CD1-CZ 3.75Å; F614-Y616 HydrophobicContact CE1-CD2 4.32Å; F614-Y616 HydrophobicContact CE2-CD2 4.22Å; F614-Y616 AromaticContact CZ-CD2 3.86Å; F614-Y616 HydrophobicContact CZ-CD2 3.86Å; F614-Y616 PolarHBondContact O-N 2.97Å; F614-Y616 VanDerWaalsContact O-N 3.1Å; F614-Y617 WeakPolarHBondContact O-CB 3.47Å; F614-Y617 PolarHBondContact O-N 3.43Å
615	R	90.5	Very high	90.4	Very high	223 Å²	223	85.9 Å²	85.9	84%	0.842	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-29.6	-173.2	-176.5	174.8	179.9	171.5	0.9	115.3	R613	R613-R615 PolarHBondContact O-N 3.46Å
616	Y	92.9	Very high	90.9	Very high	164 Å²	164	83.3 Å²	83.3	64%	0.643	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	9	-177.7	-52.8	-75.7	0	0	0	113.5	F614 L621	F614-Y616 HydrophobicContact CE1-CD2 4.32Å; F614-Y616 HydrophobicContact CE2-CD2 4.22Å; F614-Y616 AromaticContact CZ-CD2 3.86Å; F614-Y616 HydrophobicContact CZ-CD2 3.86Å; F614-Y616 PolarHBondContact O-N 2.97Å; F614-Y616 VanDerWaalsContact O-N 3.1Å; Y616-L621 WeakPolarHBondContact O-CD1 3.47Å
617	Y	95.2	Very high	91.5	Very high	30 Å²	30	76.2 Å²	76.2	12%	0.118	34%	0.344	C	S	.	.			trans	-81.9	133	174.2	173.9	-106	0	0	0	111.5	A175 C599 T603 P612 F614 S622	A175-Y617 HydrophobicContact CB-CD1 4.25Å; A175-Y617 HydrophobicContact CB-CD2 3.39Å; A175-Y617 HydrophobicContact CB-CE2 3.75Å; A175-Y617 HydrophobicContact CB-CG 3.66Å; C599-Y617 VanDerWaalsContact C-OH 3.32Å; C599-Y617 HydrophobicContact CB-CE2 4.18Å; C599-Y617 PolarHBondContact O-OH 2.89Å; T603-Y617 WeakPolarHBondContact OG1-CE1 3.28Å; T603-Y617 PolarHBondContact OG1-OH 2.95Å; P612-Y617 HydrophobicContact CB-CD1 4.29Å; P612-Y617 HydrophobicContact CG-CD1 3.76Å; P612-Y617 HydrophobicContact CG-CE1 3.7Å; F614-Y617 WeakPolarHBondContact O-CB 3.47Å; F614-Y617 PolarHBondContact O-N 3.43Å; Y617-S622 WeakPolarHBondContact CE2-OG 3.22Å
618	H	95	Very high	92.1	Very high	92 Å²	92	77.1 Å²	77.1	43%	0.426	35%	0.347	S	S	.	.			trans	-148.1	144.7	165.3	-169.9	-107.4	0	0	0	109.8	T620 L621	H618-T620 PolarHBondContact ND1-OG1 2.83Å; H618-T620 PolarHBondContact O-N 3.43Å; H618-T620 VanDerWaalsContact O-N 3.13Å; H618-L621 HydrophobicContact CB-CD1 4.47Å; H618-L621 WeakPolarHBondContact O-CB 3.43Å; H618-L621 PolarHBondContact O-N 3.14Å
619	W	94.6	Very high	93	Very high	92 Å²	92	75.9 Å²	75.9	35%	0.348	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-28.4	-173	66	-91.3	0	0	0	113.5	T603 L604 L621 S622 F623	T603-W619 HydrophobicContact CG2-CB 3.94Å; T603-W619 HydrophobicContact CG2-CG 4.43Å; L604-W619 HydrophobicContact CD1-CE3 4.16Å; L604-W619 HydrophobicContact CD2-CD2 3.94Å; L604-W619 HydrophobicContact CD2-CE3 4.05Å; L604-W619 HydrophobicContact CD2-CG 4.36Å; L604-W619 HydrophobicContact CD2-CZ3 4.42Å; L604-W619 HydrophobicContact CG-CD2 4.41Å; L604-W619 HydrophobicContact CG-CE3 4.34Å; W619-L621 VanDerWaalsContact C-N 3.32Å; W619-L621 PolarHBondContact O-N 2.95Å; W619-S622 PolarHBondContact O-N 2.72Å; W619-F623 WeakPolarHBondContact O-CB 3.46Å; W619-F623 PolarHBondContact O-N 3.45Å
620	T	95.9	Very high	93.5	Very high	61 Å²	61	72.2 Å²	72.2	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-67.1	-29.9	175.5	56.7	0	0	0	0	113.1	H618 F623 L624	H618-T620 PolarHBondContact ND1-OG1 2.83Å; H618-T620 PolarHBondContact O-N 3.43Å; H618-T620 VanDerWaalsContact O-N 3.13Å; T620-F623 PolarHBondContact O-N 3.28Å; T620-L624 VanDerWaalsContact O-CB 3.31Å; T620-L624 WeakPolarHBondContact O-CB 3.42Å; T620-L624 PolarHBondContact O-N 3.45Å
621	L	95	Very high	93.9	Very high	54 Å²	54	73.3 Å²	73.3	28%	0.283	33%	0.332	S	S	.	.	H	α-helix	trans	-71.1	-42.5	177.3	-62.7	175.2	0	0	0	110.6	L168 I171 Y616 H618 W619 L624 G625	L168-L621 HydrophobicContact CD2-CB 4.09Å; L168-L621 HydrophobicContact CD2-CD2 4.11Å; I171-L621 HydrophobicContact CG2-CD1 4.39Å; Y616-L621 WeakPolarHBondContact O-CD1 3.47Å; H618-L621 HydrophobicContact CB-CD1 4.47Å; H618-L621 WeakPolarHBondContact O-CB 3.43Å; H618-L621 PolarHBondContact O-N 3.14Å; W619-L621 VanDerWaalsContact C-N 3.32Å; W619-L621 PolarHBondContact O-N 2.95Å; L621-L624 PolarHBondContact O-N 3.47Å; L621-G625 PolarHBondContact O-N 3.49Å
622	S	95.8	Very high	94	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66	-40	172.4	-58.4	0	0	0	0	111.8	S172 N596 Y617 W619 L624 G625 M626	S172-S622 WeakPolarHBondContact OG-CB 3.37Å; S172-S622 PolarHBondContact OG-OG 3.08Å; N596-S622 WeakPolarHBondContact CB-O 3.23Å; N596-S622 WeakPolarHBondContact O-CB 3.31Å; Y617-S622 WeakPolarHBondContact CE2-OG 3.22Å; W619-S622 PolarHBondContact O-N 2.72Å; S622-L624 PolarHBondContact O-N 3.42Å; S622-G625 PolarHBondContact O-N 2.99Å; S622-M626 WeakPolarHBondContact O-CB 3.49Å; S622-M626 PolarHBondContact O-N 3.07Å
623	F	96	Very high	94.1	Very high	107 Å²	107	64.3 Å²	64.3	47%	0.469	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-39.5	174.4	-173.6	-95.1	0	0	0	112.7	W619 T620 M626 S627	W619-F623 WeakPolarHBondContact O-CB 3.46Å; W619-F623 PolarHBondContact O-N 3.45Å; T620-F623 PolarHBondContact O-N 3.28Å; F623-M626 HydrophobicContact CD2-CE 3.72Å; F623-M626 HydrophobicContact CE2-CE 3.54Å; F623-M626 HydrophobicContact CG-CE 4.46Å; F623-M626 HydrophobicContact CZ-CE 4.15Å; F623-M626 PolarHBondContact O-N 3.35Å; F623-S627 PolarHBondContact O-N 3.26Å
624	L	96.1	Very high	94.3	Very high	82 Å²	82	59.9 Å²	59.9	43%	0.429	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-42.2	172.8	-178.1	64.9	0	0	0	111.8	L168 T620 L621 S622 M626 S627 L628	L168-L624 HydrophobicContact CD1-CB 4.37Å; L168-L624 HydrophobicContact CD1-CD2 3.96Å; L168-L624 HydrophobicContact CD1-CG 3.89Å; T620-L624 VanDerWaalsContact O-CB 3.31Å; T620-L624 WeakPolarHBondContact O-CB 3.42Å; T620-L624 PolarHBondContact O-N 3.45Å; L621-L624 PolarHBondContact O-N 3.47Å; S622-L624 PolarHBondContact O-N 3.42Å; L624-M626 VanDerWaalsContact C-N 3.34Å; L624-M626 PolarHBondContact O-N 3.25Å; L624-S627 PolarHBondContact O-N 3.27Å; L624-S627 PolarHBondContact O-OG 2.93Å; L624-L628 HydrophobicContact CD1-CD1 4.46Å; L624-L628 HydrophobicContact CG-CD1 4.24Å; L624-L628 WeakPolarHBondContact O-CG 3.49Å; L624-L628 PolarHBondContact O-N 3.01Å
625	G	95.5	Very high	94.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-43.6	174.4	0	0	0	0	0	112	L621 S622 L628 C629	L621-G625 PolarHBondContact O-N 3.49Å; S622-G625 PolarHBondContact O-N 2.99Å; G625-L628 PolarHBondContact O-N 3.13Å; G625-C629 PolarHBondContact O-N 3.12Å; G625-C629 PolarHBondContact O-SG 3.45Å
626	M	95.4	Very high	93.9	Very high	28 Å²	28	52.4 Å²	52.4	14%	0.138	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-46.1	174.7	-177.9	-156.5	73.3	0	0	111.9	M593 N596 L597 S622 F623 L624 C629 L630	M593-M626 HydrophobicContact CG-CG 4Å; N596-M626 HydrophobicContact CB-CB 3.86Å; L597-M626 HydrophobicContact CB-CG 4.16Å; L597-M626 HydrophobicContact CB-SD 3.93Å; L597-M626 HydrophobicContact CD1-SD 3.61Å; L597-M626 HydrophobicContact CG-SD 4.32Å; S622-M626 WeakPolarHBondContact O-CB 3.49Å; S622-M626 PolarHBondContact O-N 3.07Å; F623-M626 HydrophobicContact CD2-CE 3.72Å; F623-M626 HydrophobicContact CE2-CE 3.54Å; F623-M626 HydrophobicContact CG-CE 4.46Å; F623-M626 HydrophobicContact CZ-CE 4.15Å; F623-M626 PolarHBondContact O-N 3.35Å; L624-M626 VanDerWaalsContact C-N 3.34Å; L624-M626 PolarHBondContact O-N 3.25Å; M626-C629 PolarHBondContact O-N 3.47Å; M626-L630 PolarHBondContact O-N 2.67Å
627	S	95.4	Very high	93.6	Very high	48 Å²	48	45.3 Å²	45.3	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-67.5	-35.9	-179.4	68.2	0	0	0	0	112.5	F623 L624 L630 A631	F623-S627 PolarHBondContact O-N 3.26Å; L624-S627 PolarHBondContact O-N 3.27Å; L624-S627 PolarHBondContact O-OG 2.93Å; S627-L630 PolarHBondContact O-N 3.46Å; S627-A631 WeakPolarHBondContact O-CB 3.39Å; S627-A631 PolarHBondContact O-N 2.73Å
628	L	94.7	Very high	93.3	Very high	46 Å²	46	51.5 Å²	51.5	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-68.3	-40.9	172.9	-71.8	171.4	0	0	0	112.5	L168 L624 G625 L630 A631 L632	L168-L628 HydrophobicContact CD1-CD1 3.73Å; L624-L628 HydrophobicContact CD1-CD1 4.46Å; L624-L628 HydrophobicContact CG-CD1 4.24Å; L624-L628 WeakPolarHBondContact O-CG 3.49Å; L624-L628 PolarHBondContact O-N 3.01Å; G625-L628 PolarHBondContact O-N 3.13Å; L628-L630 VanDerWaalsContact C-N 3.33Å; L628-L630 PolarHBondContact O-N 2.68Å; L628-A631 PolarHBondContact O-N 3.1Å; L628-L632 WeakPolarHBondContact O-CB 3.38Å; L628-L632 WeakPolarHBondContact O-CG 3.44Å; L628-L632 PolarHBondContact O-N 3.29Å
629	C	94.8	Very high	93	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-48	173.4	-66.2	0	0	0	0	110.9	C165 M593 G625 M626 L632 M633	C165-C629 PolarHBondContact SG-SG 3.49Å; M593-C629 HydrophobicContact CB-CB 3.78Å; M593-C629 HydrophobicContact CG-CB 4.4Å; G625-C629 PolarHBondContact O-N 3.12Å; G625-C629 PolarHBondContact O-SG 3.45Å; M626-C629 PolarHBondContact O-N 3.47Å; C629-L632 PolarHBondContact O-N 3.28Å; C629-M633 WeakPolarHBondContact O-CG 3.33Å; C629-M633 PolarHBondContact O-N 3.08Å
630	L	93.9	Very high	92.6	Very high	69 Å²	69	54 Å²	54	36%	0.361	26%	0.264	S	S	.	.	H	α-helix	trans	-65	-44.7	-179.9	-172.6	152.6	0	0	0	111.5	M593 M626 S627 L628 L632 M633 F634	M593-L630 HydrophobicContact SD-CD1 4.48Å; M626-L630 PolarHBondContact O-N 2.67Å; S627-L630 PolarHBondContact O-N 3.46Å; L628-L630 VanDerWaalsContact C-N 3.33Å; L628-L630 PolarHBondContact O-N 2.68Å; L630-L632 PolarHBondContact O-N 2.97Å; L630-M633 PolarHBondContact O-N 3.08Å; L630-F634 HydrophobicContact CD2-CD2 3.69Å; L630-F634 HydrophobicContact CD2-CE2 3.87Å; L630-F634 HydrophobicContact CG-CD2 4.11Å; L630-F634 HydrophobicContact CG-CE2 4.11Å; L630-F634 WeakPolarHBondContact O-CD2 3.29Å; L630-F634 PolarHBondContact O-N 3.48Å; L630-F634 VanDerWaalsContact O-N 3.12Å
631	A	93.9	Very high	92.3	Very high	41 Å²	41	51.1 Å²	51.1	34%	0.339	25%	0.246	S	C	.	.	H	α-helix	trans	-57.8	-47.4	176.4	0	0	0	0	0	111.7	S627 L628 M633 F634 I635	S627-A631 WeakPolarHBondContact O-CB 3.39Å; S627-A631 PolarHBondContact O-N 2.73Å; L628-A631 PolarHBondContact O-N 3.1Å; A631-M633 VanDerWaalsContact C-N 3.35Å; A631-M633 PolarHBondContact O-N 2.86Å; A631-F634 PolarHBondContact O-N 3.31Å; A631-I635 WeakPolarHBondContact O-CB 3.42Å; A631-I635 WeakPolarHBondContact O-CD1 3.37Å; A631-I635 WeakPolarHBondContact O-CG1 3.25Å; A631-I635 PolarHBondContact O-N 3.16Å
632	L	92.5	Very high	92.1	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-39.1	177.3	-72.3	171	0	0	0	112.5	I161 C165 V427 F431 L589 L628 C629 L630 I635 C636	I161-L632 HydrophobicContact CG2-CD1 4.39Å; I161-L632 HydrophobicContact CG2-CD2 3.99Å; I161-L632 HydrophobicContact CG2-CG 4.47Å; C165-L632 HydrophobicContact CB-CD1 3.99Å; V427-L632 HydrophobicContact CG1-CD2 3.68Å; F431-L632 HydrophobicContact CD2-CD1 4.45Å; F431-L632 HydrophobicContact CE2-CD1 4.32Å; L589-L632 HydrophobicContact CD1-CB 3.88Å; L589-L632 HydrophobicContact CD2-CB 3.76Å; L589-L632 HydrophobicContact CD2-CD1 3.91Å; L628-L632 WeakPolarHBondContact O-CB 3.38Å; L628-L632 WeakPolarHBondContact O-CG 3.44Å; L628-L632 PolarHBondContact O-N 3.29Å; C629-L632 PolarHBondContact O-N 3.28Å; L630-L632 PolarHBondContact O-N 2.97Å; L632-I635 PolarHBondContact O-N 3.29Å; L632-C636 PolarHBondContact O-N 3.25Å; L632-C636 PolarHBondContact O-SG 3.05Å
633	M	92	Very high	91.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-49.7	175.5	-72.8	176.2	64.2	0	0	112	M586 L589 M590 C629 L630 A631 C636 S637 A641 M645	M586-M633 HydrophobicContact SD-CB 4.45Å; L589-M633 HydrophobicContact CB-CG 3.46Å; L589-M633 VanDerWaalsContact CB-CG 3.46Å; L589-M633 HydrophobicContact CB-SD 3.99Å; L589-M633 HydrophobicContact CD1-CG 3.83Å; L589-M633 HydrophobicContact CG-CG 4.23Å; M590-M633 HydrophobicContact CB-CE 4.14Å; M590-M633 HydrophobicContact CB-SD 4.19Å; M590-M633 HydrophobicContact CG-CE 4.5Å; C629-M633 WeakPolarHBondContact O-CG 3.33Å; C629-M633 PolarHBondContact O-N 3.08Å; L630-M633 PolarHBondContact O-N 3.08Å; A631-M633 VanDerWaalsContact C-N 3.35Å; A631-M633 PolarHBondContact O-N 2.86Å; M633-C636 PolarHBondContact O-N 3.46Å; M633-S637 CarbonylContact O-C 3.58Å; M633-S637 PolarHBondContact O-N 3.46Å; M633-A641 HydrophobicContact CB-CB 3.92Å; M633-A641 HydrophobicContact CE-CB 4.13Å; M633-M645 HydrophobicContact CE-CG 4.07Å
634	F	92.4	Very high	91.3	Very high	78 Å²	78	52.2 Å²	52.2	34%	0.342	26%	0.262	S	S	.	.	H	α-helix	trans	-68.1	-33.5	-179.8	-85.6	-88.2	0	0	0	113.2	L630 A631 W638 L642 M645	L630-F634 HydrophobicContact CD2-CD2 3.69Å; L630-F634 HydrophobicContact CD2-CE2 3.87Å; L630-F634 HydrophobicContact CG-CD2 4.11Å; L630-F634 HydrophobicContact CG-CE2 4.11Å; L630-F634 WeakPolarHBondContact O-CD2 3.29Å; L630-F634 PolarHBondContact O-N 3.48Å; L630-F634 VanDerWaalsContact O-N 3.12Å; A631-F634 PolarHBondContact O-N 3.31Å; F634-W638 HydrophobicContact CD1-CB 3.73Å; F634-W638 HydrophobicContact CE1-CB 4.33Å; F634-W638 PolarHBondContact O-N 3.14Å; F634-L642 HydrophobicContact CE1-CD2 4.19Å; F634-L642 HydrophobicContact CE1-CG 4.18Å; F634-L642 HydrophobicContact CZ-CD2 3.94Å; F634-L642 HydrophobicContact CZ-CG 4.31Å; F634-M645 HydrophobicContact CE2-CE 3.57Å; F634-M645 HydrophobicContact CZ-CE 3.63Å
635	I	89.9	Confident	90.9	Very high	77 Å²	77	50.6 Å²	50.6	40%	0.395	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-46.4	175.5	-76.5	167.7	0	0	0	111.1	T424 A631 L632	T424-I635 VanDerWaalsContact CB-O 3.23Å; T424-I635 WeakPolarHBondContact CB-O 3.1Å; T424-I635 HydrophobicContact CG2-CG2 3.62Å; T424-I635 PolarHBondContact OG1-O 3.45Å; A631-I635 WeakPolarHBondContact O-CB 3.42Å; A631-I635 WeakPolarHBondContact O-CD1 3.37Å; A631-I635 WeakPolarHBondContact O-CG1 3.25Å; A631-I635 PolarHBondContact O-N 3.16Å; L632-I635 PolarHBondContact O-N 3.29Å
636	C	84.9	Confident	90.6	Very high	25 Å²	25	56 Å²	56	17%	0.169	28%	0.281	C	S	.	.	H	α-helix	trans	-71.5	-50	-179.5	-67	0	0	0	0	112.6	M586 L632 M633	M586-C636 HydrophobicContact CE-CB 3.54Å; L632-C636 PolarHBondContact O-N 3.25Å; L632-C636 PolarHBondContact O-SG 3.05Å; M633-C636 PolarHBondContact O-N 3.46Å
637	S	85.9	Confident	90.3	Very high	14 Å²	14	59 Å²	59	10%	0.098	30%	0.297	C	S	.	.	H	α-helix	trans	-161.8	101.7	172.8	177.5	0	0	0	0	111.7	M633 Y639 Y640 A641	M633-S637 CarbonylContact O-C 3.58Å; M633-S637 PolarHBondContact O-N 3.46Å; S637-Y639 VanDerWaalsContact C-N 3.28Å; S637-Y639 PolarHBondContact O-N 3.2Å; S637-Y639 WeakPolarHBondContact OG-CD1 3.34Å; S637-Y639 WeakPolarHBondContact OG-CE1 3.45Å; S637-Y640 PolarHBondContact O-N 3.04Å; S637-Y640 WeakPolarHBondContact OG-CD2 3.32Å; S637-Y640 PolarHBondContact OG-N 2.83Å; S637-A641 VanDerWaalsContact O-CB 3.26Å; S637-A641 WeakPolarHBondContact O-CB 3.25Å; S637-A641 PolarHBondContact O-N 3.43Å
638	W	89.8	Confident	89.8	Confident	160 Å²	160	56.8 Å²	56.8	61%	0.606	28%	0.282	S	S	*	.	H	α-helix	trans	-57.2	-36.5	178.3	71.4	-87.9	0	0	0	113.8	F634 L642	F634-W638 HydrophobicContact CD1-CB 3.73Å; F634-W638 HydrophobicContact CE1-CB 4.33Å; F634-W638 PolarHBondContact O-N 3.14Å; W638-L642 HydrophobicContact CE3-CD1 3.73Å; W638-L642 HydrophobicContact CZ3-CD1 3.9Å; W638-L642 WeakPolarHBondContact O-CG 3.14Å; W638-L642 PolarHBondContact O-N 3.44Å
639	Y	89.1	Confident	89.5	Confident	114 Å²	114	56.3 Å²	56.3	45%	0.447	29%	0.287	S	S	.	.	H	α-helix	trans	-77.9	-40.4	-176.8	63.3	-88.3	0	0	0	112	S637 L642 V643	S637-Y639 VanDerWaalsContact C-N 3.28Å; S637-Y639 PolarHBondContact O-N 3.2Å; S637-Y639 WeakPolarHBondContact OG-CD1 3.34Å; S637-Y639 WeakPolarHBondContact OG-CE1 3.45Å; Y639-L642 PolarHBondContact O-N 3.26Å; Y639-V643 WeakPolarHBondContact O-CG2 3.24Å; Y639-V643 PolarHBondContact O-N 3.41Å
640	Y	86.7	Confident	89.3	Confident	124 Å²	124	61.6 Å²	61.6	49%	0.486	32%	0.315	S	S	.	.	H	α-helix	trans	-65	-40.1	170	-68.4	-42.1	0	0	0	111.2	S637 L642 V643 A644	S637-Y640 PolarHBondContact O-N 3.04Å; S637-Y640 WeakPolarHBondContact OG-CD2 3.32Å; S637-Y640 PolarHBondContact OG-N 2.83Å; Y640-L642 PolarHBondContact O-N 2.8Å; Y640-V643 PolarHBondContact O-N 3.15Å; Y640-A644 WeakPolarHBondContact O-CB 3.5Å; Y640-A644 PolarHBondContact O-N 3.47Å
641	A	88.9	Confident	89.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.6	-46.7	176.1	0	0	0	0	0	112.4	M633 S637 A644 M645	M633-A641 HydrophobicContact CB-CB 3.92Å; M633-A641 HydrophobicContact CE-CB 4.13Å; S637-A641 VanDerWaalsContact O-CB 3.26Å; S637-A641 WeakPolarHBondContact O-CB 3.25Å; S637-A641 PolarHBondContact O-N 3.43Å; A641-A644 PolarHBondContact O-N 3.45Å; A641-M645 WeakPolarHBondContact O-CB 3.15Å; A641-M645 WeakPolarHBondContact O-CE 3.41Å; A641-M645 VanDerWaalsContact O-CG 3.28Å; A641-M645 WeakPolarHBondContact O-CG 3.37Å; A641-M645 PolarHBondContact O-N 2.95Å
642	L	90.3	Very high	88.9	Confident	82 Å²	82	61.4 Å²	61.4	43%	0.429	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-48	177.4	-74.5	173.5	0	0	0	112.7	F634 W638 Y639 Y640 A644 M645 L646	F634-L642 HydrophobicContact CE1-CD2 4.19Å; F634-L642 HydrophobicContact CE1-CG 4.18Å; F634-L642 HydrophobicContact CZ-CD2 3.94Å; F634-L642 HydrophobicContact CZ-CG 4.31Å; W638-L642 HydrophobicContact CE3-CD1 3.73Å; W638-L642 HydrophobicContact CZ3-CD1 3.9Å; W638-L642 WeakPolarHBondContact O-CG 3.14Å; W638-L642 PolarHBondContact O-N 3.44Å; Y639-L642 PolarHBondContact O-N 3.26Å; Y640-L642 PolarHBondContact O-N 2.8Å; L642-A644 PolarHBondContact O-N 3.31Å; L642-M645 HydrophobicContact CD2-CE 4.14Å; L642-L646 WeakPolarHBondContact O-CB 3.42Å; L642-L646 PolarHBondContact O-N 2.75Å
643	V	89.2	Confident	88.8	Confident	86 Å²	86	66.5 Å²	66.5	52%	0.521	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-43.9	178.8	172.2	0	0	0	0	111	Y639 Y640 L646 I647	Y639-V643 WeakPolarHBondContact O-CG2 3.24Å; Y639-V643 PolarHBondContact O-N 3.41Å; Y640-V643 PolarHBondContact O-N 3.15Å; V643-L646 PolarHBondContact O-N 3.21Å; V643-I647 HydrophobicContact CG1-CD1 3.87Å; V643-I647 WeakPolarHBondContact O-CG1 3.18Å; V643-I647 PolarHBondContact O-N 3.42Å
644	A	86.2	Confident	88.8	Confident	16 Å²	16	70.2 Å²	70.2	13%	0.132	34%	0.341	C	S	.	.	H	α-helix	trans	-69.6	-39.8	-177	0	0	0	0	0	111.9	M590 Y640 A641 L642 I647 A648	M590-A644 VanDerWaalsContact CE-C 3.45Å; M590-A644 HydrophobicContact CE-CB 3.31Å; M590-A644 VanDerWaalsContact CE-O 3.32Å; M590-A644 WeakPolarHBondContact CE-O 3.49Å; Y640-A644 WeakPolarHBondContact O-CB 3.5Å; Y640-A644 PolarHBondContact O-N 3.47Å; A641-A644 PolarHBondContact O-N 3.45Å; L642-A644 PolarHBondContact O-N 3.31Å; A644-I647 PolarHBondContact O-N 3.22Å; A644-A648 PolarHBondContact O-N 3.49Å
645	M	88	Confident	88.7	Confident	47 Å²	47	66.7 Å²	66.7	23%	0.232	33%	0.326	C	S	.	.	H	α-helix	trans	-63.7	-39.1	171.8	-74.3	-171.9	-63.7	0	0	112.6	M593 M633 F634 A641 L642 A648 G649	M593-M645 HydrophobicContact SD-SD 4.49Å; M633-M645 HydrophobicContact CE-CG 4.07Å; F634-M645 HydrophobicContact CE2-CE 3.57Å; F634-M645 HydrophobicContact CZ-CE 3.63Å; A641-M645 WeakPolarHBondContact O-CB 3.15Å; A641-M645 WeakPolarHBondContact O-CE 3.41Å; A641-M645 VanDerWaalsContact O-CG 3.28Å; A641-M645 WeakPolarHBondContact O-CG 3.37Å; A641-M645 PolarHBondContact O-N 2.95Å; L642-M645 HydrophobicContact CD2-CE 4.14Å; M645-A648 PolarHBondContact O-N 2.91Å; M645-G649 PolarHBondContact O-N 3.5Å
646	L	89.3	Confident	88.6	Confident	114 Å²	114	65 Å²	65	60%	0.597	32%	0.316	S	S	*	.	H	α-helix	trans	-61.9	-47.8	175.6	176	61.7	0	0	0	111.3	L642 V643 A648 G649 L650	L642-L646 WeakPolarHBondContact O-CB 3.42Å; L642-L646 PolarHBondContact O-N 2.75Å; V643-L646 PolarHBondContact O-N 3.21Å; L646-A648 VanDerWaalsContact C-N 3.34Å; L646-A648 PolarHBondContact O-N 2.87Å; L646-G649 PolarHBondContact O-N 3.31Å; L646-L650 HydrophobicContact CD1-CD1 4.31Å; L646-L650 HydrophobicContact CD1-CG 4.41Å; L646-L650 HydrophobicContact CG-CD1 4.24Å; L646-L650 WeakPolarHBondContact O-CG 3.3Å; L646-L650 PolarHBondContact O-N 3.1Å
647	I	87.7	Confident	88.9	Confident	91 Å²	91	68 Å²	68	47%	0.467	33%	0.325	S	S	.	.	H	α-helix	trans	-58.6	-45.6	177.1	-69.4	166.4	0	0	0	110.7	V643 A644 L650 I651	V643-I647 HydrophobicContact CG1-CD1 3.87Å; V643-I647 WeakPolarHBondContact O-CG1 3.18Å; V643-I647 PolarHBondContact O-N 3.42Å; A644-I647 PolarHBondContact O-N 3.22Å; I647-L650 PolarHBondContact O-N 3.39Å; I647-I651 HydrophobicContact CG2-CD1 3.89Å; I647-I651 WeakPolarHBondContact O-CG1 3.44Å; I647-I651 PolarHBondContact O-N 3.04Å
648	A	86.2	Confident	89	Confident	2 Å²	2	71.2 Å²	71.2	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-69	-35	179.5	0	0	0	0	0	113.5	M590 F594 A644 M645 L646 L650 I651 Y652	M590-A648 HydrophobicContact CE-CB 4.44Å; M590-A648 HydrophobicContact SD-CB 3.45Å; M590-A648 WeakPolarHBondContact SD-CB 3.13Å; F594-A648 HydrophobicContact CE2-CB 3.56Å; F594-A648 HydrophobicContact CZ-CB 3.69Å; A644-A648 PolarHBondContact O-N 3.49Å; M645-A648 PolarHBondContact O-N 2.91Å; L646-A648 VanDerWaalsContact C-N 3.34Å; L646-A648 PolarHBondContact O-N 2.87Å; A648-L650 VanDerWaalsContact C-N 3.34Å; A648-I651 PolarHBondContact O-N 3.49Å; A648-Y652 WeakPolarHBondContact O-CB 3.33Å; A648-Y652 PolarHBondContact O-N 3.33Å
649	G	88.6	Confident	88.9	Confident	35 Å²	35	65.2 Å²	65.2	36%	0.361	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-38.7	171.8	0	0	0	0	0	112.7	M645 L646 K653	M645-G649 PolarHBondContact O-N 3.5Å; L646-G649 PolarHBondContact O-N 3.31Å; G649-K653 PolarHBondContact O-N 3.37Å
650	L	90.8	Very high	88.8	Confident	112 Å²	112	60 Å²	60	59%	0.586	30%	0.303	S	S	*	.	H	α-helix	trans	-66.8	-42.1	173	-69.1	169.5	0	0	0	111.9	L646 I647 A648 K653 Y654	L646-L650 HydrophobicContact CD1-CD1 4.31Å; L646-L650 HydrophobicContact CD1-CG 4.41Å; L646-L650 HydrophobicContact CG-CD1 4.24Å; L646-L650 WeakPolarHBondContact O-CG 3.3Å; L646-L650 PolarHBondContact O-N 3.1Å; I647-L650 PolarHBondContact O-N 3.39Å; A648-L650 VanDerWaalsContact C-N 3.34Å; L650-K653 PolarHBondContact O-N 3.26Å; L650-Y654 VanDerWaalsContact O-CB 3.31Å; L650-Y654 WeakPolarHBondContact O-CB 3.24Å; L650-Y654 PolarHBondContact O-N 3.04Å
651	I	89.4	Confident	89	Confident	49 Å²	49	57 Å²	57	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-48.6	174.5	-71.7	167.4	0	0	0	110.8	A202 L205 I647 A648 K653 Y654 I655	A202-I651 HydrophobicContact CB-CG2 4.44Å; L205-I651 HydrophobicContact CD1-CG2 3.81Å; I647-I651 HydrophobicContact CG2-CD1 3.89Å; I647-I651 WeakPolarHBondContact O-CG1 3.44Å; I647-I651 PolarHBondContact O-N 3.04Å; A648-I651 PolarHBondContact O-N 3.49Å; I651-K653 PolarHBondContact O-N 3.13Å; I651-Y654 PolarHBondContact O-N 3.1Å; I651-I655 HydrophobicContact CG2-CD1 3.8Å; I651-I655 WeakPolarHBondContact O-CG1 3.45Å; I651-I655 PolarHBondContact O-N 3.04Å
652	Y	89.9	Confident	88.9	Confident	56 Å²	56	65 Å²	65	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-57.5	-49.4	177.8	178.8	-86.8	0	0	0	111.4	E198 F199 A648 Y654 I655 E656	E198-Y652 HydrophobicContact CB-CD2 3.99Å; E198-Y652 HydrophobicContact CB-CE2 3.55Å; F199-Y652 HydrophobicContact CD1-CE2 4.01Å; F199-Y652 HydrophobicContact CD2-CE2 4.1Å; F199-Y652 AromaticContact CE1-CE2 3.89Å; F199-Y652 HydrophobicContact CE1-CE2 3.89Å; F199-Y652 AromaticContact CE2-CE2 3.97Å; F199-Y652 HydrophobicContact CE2-CE2 3.97Å; F199-Y652 HydrophobicContact CG-CE2 4.12Å; F199-Y652 AromaticContact CZ-CE2 3.86Å; F199-Y652 HydrophobicContact CZ-CE2 3.86Å; A648-Y652 WeakPolarHBondContact O-CB 3.33Å; A648-Y652 PolarHBondContact O-N 3.33Å; Y652-Y654 PolarHBondContact O-N 2.94Å; Y652-I655 PolarHBondContact O-N 2.93Å; Y652-E656 WeakPolarHBondContact CE1-OE2 3.5Å; Y652-E656 WeakPolarHBondContact O-CB 3.49Å; Y652-E656 PolarHBondContact O-N 3.27Å
653	K	90.2	Very high	88.7	Confident	115 Å²	115	65.8 Å²	65.8	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-68.4	-29.7	177.8	-78.9	-53.5	-165	-170.9	0	114.2	G649 L650 I651 E656 Y657	G649-K653 PolarHBondContact O-N 3.37Å; L650-K653 PolarHBondContact O-N 3.26Å; I651-K653 PolarHBondContact O-N 3.13Å; K653-E656 WeakPolarHBondContact CD-OE2 3.38Å; K653-E656 IonicContact NZ-OE1 3.39Å; K653-E656 PolarHBondContact NZ-OE1 3.08Å; K653-E656 IonicContact NZ-OE2 3.3Å; K653-E656 PolarHBondContact NZ-OE2 3.18Å; K653-Y657 WeakPolarHBondContact O-CB 3.43Å; K653-Y657 PolarHBondContact O-N 3.4Å
654	Y	91.3	Very high	88.7	Confident	77 Å²	77	66.5 Å²	66.5	30%	0.302	32%	0.323	S	S	.	.	H	α-helix	trans	-65.8	-43	171.9	178.9	-94.5	0	0	0	111.7	V542 F544 L650 I651 Y652 Y657 R658	V542-Y654 HydrophobicContact CG1-CE1 4.25Å; F544-Y654 HydrophobicContact CE1-CE1 4.29Å; L650-Y654 VanDerWaalsContact O-CB 3.31Å; L650-Y654 WeakPolarHBondContact O-CB 3.24Å; L650-Y654 PolarHBondContact O-N 3.04Å; I651-Y654 PolarHBondContact O-N 3.1Å; Y652-Y654 PolarHBondContact O-N 2.94Å; Y654-Y657 PolarHBondContact O-N 3.31Å; Y654-R658 HydrophobicContact CD1-CG 4.3Å; Y654-R658 HydrophobicContact CE1-CG 3.78Å; Y654-R658 HydrophobicContact CE2-CG 4.11Å; Y654-R658 WeakPolarHBondContact O-CB 3.5Å; Y654-R658 WeakPolarHBondContact O-CG 3.49Å; Y654-R658 PolarHBondContact O-N 2.9Å; Y654-R658 PolarHBondContact OH-NE 3.41Å; Y654-R658 VanDerWaalsContact OH-NE 3.09Å
655	I	90.4	Very high	88.7	Confident	4 Å²	4	69 Å²	69	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-44.3	176.9	-62.5	160.9	0	0	0	110.5	I541 V542 I651 Y652 Y657 R658 G659	I541-I655 HydrophobicContact CB-CG2 4.32Å; I541-I655 HydrophobicContact CD1-CD1 4.48Å; V542-I655 HydrophobicContact CG2-CD1 4.5Å; V542-I655 HydrophobicContact CG2-CG1 4.1Å; I651-I655 HydrophobicContact CG2-CD1 3.8Å; I651-I655 WeakPolarHBondContact O-CG1 3.45Å; I651-I655 PolarHBondContact O-N 3.04Å; Y652-I655 PolarHBondContact O-N 2.93Å; I655-Y657 VanDerWaalsContact C-N 3.34Å; I655-Y657 PolarHBondContact O-N 3.47Å; I655-R658 PolarHBondContact O-N 2.94Å; I655-G659 PolarHBondContact O-N 3.35Å
656	E	89	Confident	88.9	Confident	43 Å²	43	70.1 Å²	70.1	20%	0.201	36%	0.357	C	S	.	.	H	α-helix	trans	-57.4	-45.2	176.1	-162.1	-170	116.1	0	0	111.5	E198 Y652 K653 G659 A660 L671	E198-E656 HydrophobicContact CG-CB 4.27Å; E198-E656 HydrophobicContact CG-CG 4.43Å; Y652-E656 WeakPolarHBondContact CE1-OE2 3.5Å; Y652-E656 WeakPolarHBondContact O-CB 3.49Å; Y652-E656 PolarHBondContact O-N 3.27Å; K653-E656 WeakPolarHBondContact CD-OE2 3.38Å; K653-E656 IonicContact NZ-OE1 3.39Å; K653-E656 PolarHBondContact NZ-OE1 3.08Å; K653-E656 IonicContact NZ-OE2 3.3Å; K653-E656 PolarHBondContact NZ-OE2 3.18Å; E656-G659 PolarHBondContact O-N 2.89Å; E656-A660 WeakPolarHBondContact O-CB 3.39Å; E656-A660 PolarHBondContact O-N 3Å; E656-L671 HydrophobicContact CB-CD2 4.41Å; E656-L671 HydrophobicContact CG-CD2 3.66Å; E656-L671 WeakPolarHBondContact OE1-CD2 3.5Å
657	Y	90.1	Very high	88.8	Confident	88 Å²	88	64.7 Å²	64.7	35%	0.345	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-47.4	176.1	177.1	-89.8	0	0	0	112.7	K653 Y654 I655 G659 A660 E661 I668 L671	K653-Y657 WeakPolarHBondContact O-CB 3.43Å; K653-Y657 PolarHBondContact O-N 3.4Å; Y654-Y657 PolarHBondContact O-N 3.31Å; I655-Y657 VanDerWaalsContact C-N 3.34Å; I655-Y657 PolarHBondContact O-N 3.47Å; Y657-G659 VanDerWaalsContact C-N 3.33Å; Y657-G659 PolarHBondContact O-N 3.49Å; Y657-A660 PolarHBondContact O-N 2.73Å; Y657-E661 WeakPolarHBondContact CE1-OE2 3.47Å; Y657-E661 WeakPolarHBondContact O-CB 3.42Å; Y657-E661 PolarHBondContact O-N 3.32Å; Y657-I668 HydrophobicContact CE2-CG1 3.96Å; Y657-L671 HydrophobicContact CD2-CD1 4.24Å
658	R	88.5	Confident	88.9	Confident	81 Å²	81	66.4 Å²	66.4	31%	0.306	34%	0.337	S	S	.	.	H	α-helix	trans	-67.6	-32.3	178.6	-73.7	-54.9	-153.2	168.6	6.1	112.6	Y654 I655 E661 K662	Y654-R658 HydrophobicContact CD1-CG 4.3Å; Y654-R658 HydrophobicContact CE1-CG 3.78Å; Y654-R658 HydrophobicContact CE2-CG 4.11Å; Y654-R658 WeakPolarHBondContact O-CB 3.5Å; Y654-R658 WeakPolarHBondContact O-CG 3.49Å; Y654-R658 PolarHBondContact O-N 2.9Å; Y654-R658 PolarHBondContact OH-NE 3.41Å; Y654-R658 VanDerWaalsContact OH-NE 3.09Å; I655-R658 PolarHBondContact O-N 2.94Å; R658-E661 WeakPolarHBondContact CD-OE2 3.48Å; R658-E661 IonicContact CZ-OE2 2.75Å; R658-E661 IonicContact NE-OE2 3.67Å; R658-E661 IonicContact NH1-OE1 2.68Å; R658-E661 PolarHBondContact NH1-OE1 3.28Å; R658-E661 IonicContact NH1-OE2 3.61Å; R658-E661 PolarHBondContact NH1-OE2 2.94Å; R658-K662 WeakPolarHBondContact O-CB 3.46Å; R658-K662 PolarHBondContact O-N 3.38Å
659	G	87.2	Confident	89.1	Confident	33 Å²	33	74.4 Å²	74.4	34%	0.34	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-49.9	171.6	0	0	0	0	0	111.3	I655 E656 Y657 E661 K662 E663	I655-G659 PolarHBondContact O-N 3.35Å; E656-G659 PolarHBondContact O-N 2.89Å; Y657-G659 VanDerWaalsContact C-N 3.33Å; Y657-G659 PolarHBondContact O-N 3.49Å; G659-E661 PolarHBondContact O-N 2.92Å; G659-K662 PolarHBondContact O-N 3.21Å; G659-E663 WeakPolarHBondContact O-CB 3.31Å; G659-E663 PolarHBondContact O-N 2.9Å
660	A	87.8	Confident	89.1	Confident	5 Å²	5	72.8 Å²	72.8	4%	0.041	35%	0.35	C	S	.	.	H	α-helix	trans	-60.7	-41.9	175.6	0	0	0	0	0	113.3	E656 Y657 K662 E663 W664 L671	E656-A660 WeakPolarHBondContact O-CB 3.39Å; E656-A660 PolarHBondContact O-N 3Å; Y657-A660 PolarHBondContact O-N 2.73Å; A660-K662 VanDerWaalsContact C-N 3.34Å; A660-K662 PolarHBondContact O-N 3.1Å; A660-E663 PolarHBondContact O-N 3.14Å; A660-W664 PolarHBondContact O-N 3.22Å; A660-L671 HydrophobicContact CB-CD2 3.96Å; A660-L671 HydrophobicContact CB-CG 3.82Å
661	E	89.1	Confident	89	Confident	62 Å²	62	70 Å²	70	29%	0.29	34%	0.335	S	S	.	.	H	α-helix	trans	-62.1	-40.4	175.5	-171.9	-172	167.2	0	0	111.7	Y657 R658 G659 G665	Y657-E661 WeakPolarHBondContact CE1-OE2 3.47Å; Y657-E661 WeakPolarHBondContact O-CB 3.42Å; Y657-E661 PolarHBondContact O-N 3.32Å; R658-E661 WeakPolarHBondContact CD-OE2 3.48Å; R658-E661 IonicContact CZ-OE2 2.75Å; R658-E661 IonicContact NE-OE2 3.67Å; R658-E661 IonicContact NH1-OE1 2.68Å; R658-E661 PolarHBondContact NH1-OE1 3.28Å; R658-E661 IonicContact NH1-OE2 3.61Å; R658-E661 PolarHBondContact NH1-OE2 2.94Å; G659-E661 PolarHBondContact O-N 2.92Å; E661-G665 WeakPolarHBondContact O-CA 3.15Å; E661-G665 PolarHBondContact O-N 3.13Å
662	K	86.9	Confident	89	Confident	166 Å²	166	71.1 Å²	71.1	72%	0.722	35%	0.347	S	S	*	.	H	α-helix	trans	-73.8	-33.1	177.5	-172.8	-179.5	178.5	-175.8	0	113.3	R658 G659 A660	R658-K662 WeakPolarHBondContact O-CB 3.46Å; R658-K662 PolarHBondContact O-N 3.38Å; G659-K662 PolarHBondContact O-N 3.21Å; A660-K662 VanDerWaalsContact C-N 3.34Å; A660-K662 PolarHBondContact O-N 3.1Å
663	E	86.4	Confident	89.1	Confident	99 Å²	99	71.3 Å²	71.3	46%	0.463	35%	0.352	S	S	.	.	H	α-helix	trans	-80.3	-36.2	179.6	-173.3	174.2	-129.8	0	0	112.6	G659 A660 S674 R677	G659-E663 WeakPolarHBondContact O-CB 3.31Å; G659-E663 PolarHBondContact O-N 2.9Å; A660-E663 PolarHBondContact O-N 3.14Å; E663-S674 PolarHBondContact OE2-OG 2.87Å; E663-R677 IonicContact OE1-CZ 2.77Å; E663-R677 IonicContact OE1-NH1 3.6Å; E663-R677 PolarHBondContact OE1-NH1 2.89Å; E663-R677 IonicContact OE2-NH1 3.65Å
664	W	88.9	Confident	89	Confident	101 Å²	101	67.5 Å²	67.5	38%	0.383	34%	0.34	S	S	.	.	H	α-helix	trans	-123	-2.1	-170.8	-55.6	94.2	0	0	0	115.5	A660 D666 G670 L673 S674	A660-W664 PolarHBondContact O-N 3.22Å; W664-D666 PolarHBondContact O-N 2.8Å; W664-G670 VanDerWaalsContact CD1-CA 3.45Å; W664-L673 HydrophobicContact CB-CD1 4.34Å; W664-L673 HydrophobicContact CD2-CB 3.78Å; W664-L673 HydrophobicContact CD2-CD1 3.85Å; W664-L673 HydrophobicContact CD2-CG 4.48Å; W664-L673 HydrophobicContact CE3-CB 4.04Å; W664-L673 HydrophobicContact CE3-CD1 3.6Å; W664-L673 HydrophobicContact CE3-CG 4.4Å; W664-L673 HydrophobicContact CG-CB 4.3Å; W664-L673 HydrophobicContact CG-CD1 4.18Å; W664-L673 HydrophobicContact CH2-CB 4.19Å; W664-L673 HydrophobicContact CZ2-CB 3.95Å; W664-L673 HydrophobicContact CZ3-CB 4.23Å; W664-L673 HydrophobicContact CZ3-CD1 4.2Å; W664-S674 PolarHBondContact NE1-OG 3.45Å
665	G	88	Confident	88.8	Confident	68 Å²	68	66.7 Å²	66.7	70%	0.701	35%	0.349	S	S	*	.	S	Bend	trans	80.7	-13.1	179.6	0	0	0	0	0	115.8	E661	E661-G665 WeakPolarHBondContact O-CA 3.15Å; E661-G665 PolarHBondContact O-N 3.13Å
666	D	91.1	Very high	88.8	Confident	71 Å²	71	68.9 Å²	68.9	38%	0.38	37%	0.368	S	S	.	.			trans	-138.1	124.6	172.7	165.8	10.3	0	0	0	108.3	W664 I668 R669 G670	W664-D666 PolarHBondContact O-N 2.8Å; D666-I668 PolarHBondContact OD1-N 3.43Å; D666-R669 HydrophobicContact CB-CB 4.21Å; D666-R669 PolarHBondContact OD1-N 3.21Å; D666-R669 WeakPolarHBondContact OD2-CB 3.5Å; D666-R669 PolarHBondContact OD2-N 2.94Å; D666-G670 VanDerWaalsContact O-CA 3.25Å; D666-G670 WeakPolarHBondContact O-CA 3.2Å; D666-G670 PolarHBondContact O-N 3.45Å
667	G	87.1	Confident	88.8	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-64	-43	-179.4	0	0	0	0	0	114	L671	G667-L671 WeakPolarHBondContact O-CG 3.31Å; G667-L671 PolarHBondContact O-N 3.33Å
668	I	89.6	Confident	88.6	Confident	127 Å²	127	72 Å²	72	65%	0.651	38%	0.377	S	S	*	.	H	α-helix	trans	-73.1	-46.7	-174.7	-57.5	-176.3	0	0	0	110.3	Y657 D666	Y657-I668 HydrophobicContact CE2-CG1 3.96Å; D666-I668 PolarHBondContact OD1-N 3.43Å
669	R	90.2	Very high	88.5	Confident	171 Å²	171	70 Å²	70	65%	0.645	38%	0.378	S	S	*	.	H	α-helix	trans	-67.5	-40.3	175.3	-172.5	175.2	179.7	170.2	-1.6	111.4	D666 L671 S672 L673	D666-R669 HydrophobicContact CB-CB 4.21Å; D666-R669 PolarHBondContact OD1-N 3.21Å; D666-R669 WeakPolarHBondContact OD2-CB 3.5Å; D666-R669 PolarHBondContact OD2-N 2.94Å; R669-L671 VanDerWaalsContact C-N 3.34Å; R669-L671 PolarHBondContact O-N 3.48Å; R669-S672 PolarHBondContact O-N 3.15Å; R669-S672 VanDerWaalsContact O-N 3.09Å; R669-S672 PolarHBondContact O-OG 3.48Å; R669-L673 HydrophobicContact CG-CD1 4.05Å; R669-L673 HydrophobicContact CG-CG 4.43Å; R669-L673 WeakPolarHBondContact O-CG 3.32Å; R669-L673 PolarHBondContact O-N 2.8Å
670	G	89.4	Confident	88.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-56.6	-43.8	177.3	0	0	0	0	0	112.9	W664 D666 S672 L673 S674	W664-G670 VanDerWaalsContact CD1-CA 3.45Å; D666-G670 VanDerWaalsContact O-CA 3.25Å; D666-G670 WeakPolarHBondContact O-CA 3.2Å; D666-G670 PolarHBondContact O-N 3.45Å; G670-S672 VanDerWaalsContact C-N 3.27Å; G670-S672 PolarHBondContact O-N 3.07Å; G670-L673 PolarHBondContact O-N 3.16Å; G670-S674 PolarHBondContact O-N 3.47Å; G670-S674 PolarHBondContact O-OG 3.34Å
671	L	88.8	Confident	88.4	Confident	54 Å²	54	73.7 Å²	73.7	28%	0.283	39%	0.389	S	S	.	.	H	α-helix	trans	-56	-41.6	175.3	-74.5	168.9	0	0	0	112.1	E656 Y657 A660 G667 R669 A675	E656-L671 HydrophobicContact CB-CD2 4.41Å; E656-L671 HydrophobicContact CG-CD2 3.66Å; E656-L671 WeakPolarHBondContact OE1-CD2 3.5Å; Y657-L671 HydrophobicContact CD2-CD1 4.24Å; A660-L671 HydrophobicContact CB-CD2 3.96Å; A660-L671 HydrophobicContact CB-CG 3.82Å; G667-L671 WeakPolarHBondContact O-CG 3.31Å; G667-L671 PolarHBondContact O-N 3.33Å; R669-L671 VanDerWaalsContact C-N 3.34Å; R669-L671 PolarHBondContact O-N 3.48Å; L671-A675 VanDerWaalsContact O-CB 3.28Å; L671-A675 WeakPolarHBondContact O-CB 3.42Å; L671-A675 PolarHBondContact O-N 3.41Å; L671-A675 VanDerWaalsContact O-N 3.1Å
672	S	89.9	Confident	88.1	Confident	72 Å²	72	75.7 Å²	75.7	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-71	-31.8	176.5	73.5	0	0	0	0	113.3	R669 G670 A676	R669-S672 PolarHBondContact O-N 3.15Å; R669-S672 VanDerWaalsContact O-N 3.09Å; R669-S672 PolarHBondContact O-OG 3.48Å; G670-S672 VanDerWaalsContact C-N 3.27Å; G670-S672 PolarHBondContact O-N 3.07Å; S672-A676 WeakPolarHBondContact O-CB 3.46Å; S672-A676 PolarHBondContact O-N 3.38Å
673	L	91.4	Very high	87.9	Confident	61 Å²	61	71.6 Å²	71.6	32%	0.319	38%	0.379	S	S	.	.	H	α-helix	trans	-74.2	-45.5	177.1	-68.4	171.3	0	0	0	112.1	W664 R669 G670 A675 A676 R677	W664-L673 HydrophobicContact CB-CD1 4.34Å; W664-L673 HydrophobicContact CD2-CB 3.78Å; W664-L673 HydrophobicContact CD2-CD1 3.85Å; W664-L673 HydrophobicContact CD2-CG 4.48Å; W664-L673 HydrophobicContact CE3-CB 4.04Å; W664-L673 HydrophobicContact CE3-CD1 3.6Å; W664-L673 HydrophobicContact CE3-CG 4.4Å; W664-L673 HydrophobicContact CG-CB 4.3Å; W664-L673 HydrophobicContact CG-CD1 4.18Å; W664-L673 HydrophobicContact CH2-CB 4.19Å; W664-L673 HydrophobicContact CZ2-CB 3.95Å; W664-L673 HydrophobicContact CZ3-CB 4.23Å; W664-L673 HydrophobicContact CZ3-CD1 4.2Å; R669-L673 HydrophobicContact CG-CD1 4.05Å; R669-L673 HydrophobicContact CG-CG 4.43Å; R669-L673 WeakPolarHBondContact O-CG 3.32Å; R669-L673 PolarHBondContact O-N 2.8Å; G670-L673 PolarHBondContact O-N 3.16Å; L673-A675 VanDerWaalsContact C-N 3.33Å; L673-A675 PolarHBondContact O-N 2.96Å; L673-A676 PolarHBondContact O-N 3.37Å; L673-R677 WeakPolarHBondContact O-CB 3.44Å; L673-R677 PolarHBondContact O-N 3.24Å
674	S	87.2	Confident	87.7	Confident	35 Å²	35	73.2 Å²	73.2	25%	0.245	39%	0.387	C	S	.	.	H	α-helix	trans	-61.2	-41.3	173.5	-60.1	0	0	0	0	111.3	E663 W664 G670 R677 Y678	E663-S674 PolarHBondContact OE2-OG 2.87Å; W664-S674 PolarHBondContact NE1-OG 3.45Å; G670-S674 PolarHBondContact O-N 3.47Å; G670-S674 PolarHBondContact O-OG 3.34Å; S674-R677 PolarHBondContact O-N 3.48Å; S674-Y678 VanDerWaalsContact O-CB 3.29Å; S674-Y678 WeakPolarHBondContact O-CB 3.49Å; S674-Y678 PolarHBondContact O-N 3.07Å
675	A	88.4	Confident	86.9	Confident	60 Å²	60	72.8 Å²	72.8	50%	0.496	39%	0.389	S	S	.	.	H	α-helix	trans	-62.7	-42.9	174.8	0	0	0	0	0	112.7	L671 L673 A679	L671-A675 VanDerWaalsContact O-CB 3.28Å; L671-A675 WeakPolarHBondContact O-CB 3.42Å; L671-A675 PolarHBondContact O-N 3.41Å; L671-A675 VanDerWaalsContact O-N 3.1Å; L673-A675 VanDerWaalsContact C-N 3.33Å; L673-A675 PolarHBondContact O-N 2.96Å; A675-A679 WeakPolarHBondContact O-CB 3.38Å; A675-A679 PolarHBondContact O-N 2.87Å
676	A	90.2	Very high	85.7	Confident	49 Å²	49	71.1 Å²	71.1	41%	0.405	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-46.8	176.3	0	0	0	0	0	112.1	S672 L673 Y678 A679 L680	S672-A676 WeakPolarHBondContact O-CB 3.46Å; S672-A676 PolarHBondContact O-N 3.38Å; L673-A676 PolarHBondContact O-N 3.37Å; A676-Y678 PolarHBondContact O-N 3.34Å; A676-A679 PolarHBondContact O-N 3.44Å; A676-L680 WeakPolarHBondContact O-CG 3.44Å; A676-L680 PolarHBondContact O-N 3.13Å
677	R	89.2	Confident	84.2	Confident	122 Å²	122	73 Å²	73	46%	0.46	39%	0.388	S	S	.	.	H	α-helix	trans	-58	-47.3	175.7	174	-178.1	165.8	-150.9	2.4	111.8	E663 L673 S674 A679 L680 L681	E663-R677 IonicContact OE1-CZ 2.77Å; E663-R677 IonicContact OE1-NH1 3.6Å; E663-R677 PolarHBondContact OE1-NH1 2.89Å; E663-R677 IonicContact OE2-NH1 3.65Å; L673-R677 WeakPolarHBondContact O-CB 3.44Å; L673-R677 PolarHBondContact O-N 3.24Å; S674-R677 PolarHBondContact O-N 3.48Å; R677-A679 VanDerWaalsContact C-N 3.34Å; R677-A679 PolarHBondContact O-N 3.41Å; R677-L680 PolarHBondContact O-N 2.64Å; R677-L681 HydrophobicContact CG-CD1 4.03Å; R677-L681 WeakPolarHBondContact O-CG 3.02Å; R677-L681 PolarHBondContact O-N 2.63Å
678	Y	85	Confident	82.9	Confident	75 Å²	75	78 Å²	78	29%	0.294	42%	0.421	S	S	.	.	H	α-helix	trans	-61.8	-42	178.2	179.7	-93.6	0	0	0	111.9	T607 S674 A676 L680 R682	T607-Y678 WeakPolarHBondContact CA-OH 3.41Å; T607-Y678 HydrophobicContact CG2-CE2 3.97Å; T607-Y678 WeakPolarHBondContact CG2-OH 3.46Å; S674-Y678 VanDerWaalsContact O-CB 3.29Å; S674-Y678 WeakPolarHBondContact O-CB 3.49Å; S674-Y678 PolarHBondContact O-N 3.07Å; A676-Y678 PolarHBondContact O-N 3.34Å; Y678-L680 PolarHBondContact O-N 3.09Å; Y678-R682 PolarHBondContact O-N 3.31Å
679	A	87.1	Confident	81.4	Confident	39 Å²	39	79.3 Å²	79.3	32%	0.322	42%	0.424	S	S	.	.	H	α-helix	trans	-63.6	-38.4	175.8	0	0	0	0	0	112.7	A675 A676 R677 L683	A675-A679 WeakPolarHBondContact O-CB 3.38Å; A675-A679 PolarHBondContact O-N 2.87Å; A676-A679 PolarHBondContact O-N 3.44Å; R677-A679 VanDerWaalsContact C-N 3.34Å; R677-A679 PolarHBondContact O-N 3.41Å; A679-L683 WeakPolarHBondContact O-CG 3.22Å; A679-L683 PolarHBondContact O-N 2.75Å
680	L	87.8	Confident	79.9	Confident	35 Å²	35	74 Å²	74	18%	0.183	41%	0.411	C	S	.	.	H	α-helix	trans	-68.9	-47.1	178.1	-72.6	168.8	0	0	0	112.7	A676 R677 Y678 R682 L683 E684 L786 L789	A676-L680 WeakPolarHBondContact O-CG 3.44Å; A676-L680 PolarHBondContact O-N 3.13Å; R677-L680 PolarHBondContact O-N 2.64Å; Y678-L680 PolarHBondContact O-N 3.09Å; L680-R682 VanDerWaalsContact C-N 3.27Å; L680-R682 PolarHBondContact O-N 2.9Å; L680-L683 WeakPolarHBondContact O-CB 3.46Å; L680-L683 PolarHBondContact O-N 3.3Å; L680-E684 PolarHBondContact O-N 3.49Å; L680-L786 HydrophobicContact CD1-CD2 3.77Å; L680-L786 HydrophobicContact CD1-CG 4.21Å; L680-L789 HydrophobicContact CD2-CB 3.55Å; L680-L789 HydrophobicContact CD2-CD2 4.12Å; L680-L789 HydrophobicContact CD2-CG 4.48Å
681	L	85.8	Confident	78.8	Confident	80 Å²	80	76.7 Å²	76.7	42%	0.419	42%	0.422	S	S	.	.	H	α-helix	trans	-59.1	-39.4	178	-70.9	169	0	0	0	111.8	R677 L683 E684	R677-L681 HydrophobicContact CG-CD1 4.03Å; R677-L681 WeakPolarHBondContact O-CG 3.02Å; R677-L681 PolarHBondContact O-N 2.63Å; L681-L683 VanDerWaalsContact C-N 3.29Å; L681-L683 PolarHBondContact O-N 2.87Å; L681-E684 WeakPolarHBondContact O-CB 3.45Å; L681-E684 PolarHBondContact O-N 3.27Å; L681-E684 VanDerWaalsContact O-N 3.17Å
682	R	82.2	Confident	78.3	Confident	105 Å²	105	76.7 Å²	76.7	40%	0.396	42%	0.423	S	S	.	.	H	α-helix	trans	-70.6	-21.5	176.4	-168.2	-175.6	60.8	175.3	-2.9	113.6	L605 Y678 L680 E684	L605-R682 WeakPolarHBondContact O-CD 3.38Å; L605-R682 PolarHBondContact O-NH1 2.63Å; Y678-R682 PolarHBondContact O-N 3.31Å; L680-R682 VanDerWaalsContact C-N 3.27Å; L680-R682 PolarHBondContact O-N 2.9Å; R682-E684 VanDerWaalsContact C-N 3.28Å
683	L	82.6	Confident	78.1	Confident	80 Å²	80	74.5 Å²	74.5	42%	0.419	40%	0.403	S	S	.	.	H	α-helix	trans	-76.3	-16.7	172.5	-74.8	166.9	0	0	0	112.6	A679 L680 L681	A679-L683 WeakPolarHBondContact O-CG 3.22Å; A679-L683 PolarHBondContact O-N 2.75Å; L680-L683 WeakPolarHBondContact O-CB 3.46Å; L680-L683 PolarHBondContact O-N 3.3Å; L681-L683 VanDerWaalsContact C-N 3.29Å; L681-L683 PolarHBondContact O-N 2.87Å
684	E	82.3	Confident	78	Confident	133 Å²	133	74.4 Å²	74.4	62%	0.621	40%	0.399	S	S	*	.	H	α-helix	trans	-87.2	-31.8	-177.1	-165.1	169.2	-178.6	0	0	112.9	L680 L681 R682 G686	L680-E684 PolarHBondContact O-N 3.49Å; L681-E684 WeakPolarHBondContact O-CB 3.45Å; L681-E684 PolarHBondContact O-N 3.27Å; L681-E684 VanDerWaalsContact O-N 3.17Å; R682-E684 VanDerWaalsContact C-N 3.28Å; E684-G686 VanDerWaalsContact C-N 3.27Å; E684-G686 PolarHBondContact O-N 3.44Å
685	E	71.2	Confident	78.2	Confident	91 Å²	91	73 Å²	73	43%	0.425	39%	0.389	S	S	.	.	S	Bend	trans	-74.1	-12.5	175.6	-66.2	-168.9	129.9	0	0	114.4	P608 R611	P608-E685 WeakPolarHBondContact CA-OE2 3.48Å; R611-E685 IonicContact CZ-OE1 3.22Å; R611-E685 IonicContact NH2-OE1 2.79Å; R611-E685 PolarHBondContact NH2-OE1 2.95Å
686	G	63.7	Low	78.4	Confident	34 Å²	34	72.5 Å²	72.5	35%	0.351	38%	0.376	S	S	.	.	S	Bend	trans	-101.5	141.3	-175.9	0	0	0	0	0	112.8	E684	E684-G686 VanDerWaalsContact C-N 3.27Å; E684-G686 PolarHBondContact O-N 3.44Å
687	P	58.5	Low	78.6	Confident	110 Å²	110	70.2 Å²	70.2	71%	0.714	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-60.9	134	170.2	26.1	-33.2	0	0	0	110	H689	P687-H689 PolarHBondContact O-N 3.03Å; P687-H689 PolarHBondContact O-ND1 3.23Å
688	P	61	Low	79	Confident	106 Å²	106	64.4 Å²	64.4	69%	0.688	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-58.7	142.1	177.6	25	-33.9	0	0	0	109.7	T690	P688-T690 VanDerWaalsContact C-N 3.29Å; P688-T690 PolarHBondContact O-N 3.42Å
689	H	57.8	Low	79.5	Confident	153 Å²	153	60.8 Å²	60.8	71%	0.708	32%	0.321	S	S	*	.			trans	-78.3	69.8	-160.5	-49.2	-17.8	0	0	0	113.3	P687 K691 N692	P687-H689 PolarHBondContact O-N 3.03Å; P687-H689 PolarHBondContact O-ND1 3.23Å; H689-K691 PolarHBondContact O-N 3.43Å; H689-N692 PolarHBondContact O-N 3.15Å
690	T	59.5	Low	79.9	Confident	61 Å²	61	59.8 Å²	59.8	37%	0.374	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-36.2	-172.6	52.3	0	0	0	0	114.8	P688 N692 M942	P688-T690 VanDerWaalsContact C-N 3.29Å; P688-T690 PolarHBondContact O-N 3.42Å; T690-N692 PolarHBondContact O-N 3.49Å; T690-N692 VanDerWaalsContact O-N 3.1Å; T690-M942 WeakPolarHBondContact CB-SD 3.3Å; T690-M942 HydrophobicContact CG2-SD 4.09Å; T690-M942 PolarHBondContact OG1-SD 2.99Å
691	K	65.9	Low	80.1	Confident	55 Å²	55	58.6 Å²	58.6	24%	0.239	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.2	-176.2	-69	-162.6	171.4	-170.3	0	114.9	H689 M942 H943 L944 E948 V1128 T1130	H689-K691 PolarHBondContact O-N 3.43Å; K691-M942 WeakPolarHBondContact CE-O 3.42Å; K691-H943 PolarHBondContact NZ-O 2.99Å; K691-L944 HydrophobicContact CD-CD2 3.75Å; K691-L944 HydrophobicContact CG-CD2 3.97Å; K691-E948 WeakPolarHBondContact CD-OE1 3.39Å; K691-E948 IonicContact NZ-OE1 3.58Å; K691-E948 PolarHBondContact NZ-OE1 3.33Å; K691-E948 VanDerWaalsContact NZ-OE1 3.12Å; K691-E948 IonicContact NZ-OE2 3.37Å; K691-E948 PolarHBondContact NZ-OE2 3.4Å; K691-V1128 CarbonylContact C-O 3.57Å; K691-T1130 PolarHBondContact O-OG1 3.05Å
692	N	78.2	Confident	80.2	Confident	54 Å²	54	62.7 Å²	62.7	29%	0.289	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-145.1	76.1	179.8	-87	-56.8	0	0	0	112	H689 T690 T1130 I1131	H689-N692 PolarHBondContact O-N 3.15Å; T690-N692 PolarHBondContact O-N 3.49Å; T690-N692 VanDerWaalsContact O-N 3.1Å; N692-T1130 PolarHBondContact ND2-OG1 2.96Å; N692-T1130 VanDerWaalsContact ND2-OG1 3.16Å; N692-T1130 PolarHBondContact OD1-N 3.49Å; N692-T1130 PolarHBondContact OD1-OG1 3.2Å; N692-I1131 WeakPolarHBondContact OD1-CB 3.49Å; N692-I1131 PolarHBondContact OD1-N 3.32Å
693	W	85.8	Confident	80.6	Confident	26 Å²	26	58.9 Å²	58.9	10%	0.098	30%	0.303	C	S	.	.			trans	-59.5	145	175.9	-172.2	94.5	0	0	0	112.7	P695 N792 T793 A827 M860 L863 E1127 V1128 I1129	W693-P695 HydrophobicContact CH2-CB 3.67Å; W693-P695 HydrophobicContact CH2-CG 4.35Å; W693-P695 HydrophobicContact CZ2-CB 4.33Å; W693-P695 HydrophobicContact CZ3-CB 4.06Å; W693-P695 HydrophobicContact CZ3-CG 4.24Å; W693-N792 PolarHBondContact NE1-ND2 3.36Å; W693-T793 VanDerWaalsContact CZ2-OG1 3.3Å; W693-T793 WeakPolarHBondContact CZ2-OG1 3.46Å; W693-A827 HydrophobicContact CH2-CB 4.44Å; W693-A827 HydrophobicContact CZ2-CB 3.9Å; W693-M860 HydrophobicContact CH2-CG 4.19Å; W693-M860 HydrophobicContact CH2-SD 3.43Å; W693-M860 WeakPolarHBondContact CH2-SD 3.19Å; W693-M860 HydrophobicContact CZ2-SD 4.07Å; W693-M860 HydrophobicContact CZ3-CG 4.1Å; W693-M860 HydrophobicContact CZ3-SD 3.94Å; W693-L863 HydrophobicContact CE3-CD2 3.85Å; W693-L863 HydrophobicContact CZ3-CD2 4.03Å; W693-E1127 HydrophobicContact CD2-CB 4.43Å; W693-E1127 HydrophobicContact CD2-CG 3.96Å; W693-E1127 HydrophobicContact CG-CB 4.19Å; W693-E1127 HydrophobicContact CG-CG 3.94Å; W693-E1127 HydrophobicContact CZ2-CG 4.3Å; W693-V1128 WeakPolarHBondContact CB-O 3.19Å; W693-V1128 PolarHBondContact N-O 2.96Å; W693-I1129 HydrophobicContact CB-CG1 3.93Å; W693-I1129 HydrophobicContact CE3-CD1 4.12Å
694	R	88.3	Confident	80.7	Confident	59 Å²	59	58.1 Å²	58.1	22%	0.223	30%	0.299	C	S	.	.			trans	-144.8	142.3	170.7	-74	-62.8	-174.6	-78.9	3.7	108.9	Q696 N792 I1131 S1133	R694-Q696 PolarHBondContact O-N 3.36Å; R694-N792 PolarHBondContact O-ND2 3.02Å; R694-I1131 PolarHBondContact NH1-O 3.15Å; R694-I1131 PolarHBondContact NH2-O 3.32Å; R694-S1133 PolarHBondContact NE-O 2.99Å; R694-S1133 VanDerWaalsContact NH2-N 3.1Å; R694-S1133 PolarHBondContact NH2-O 2.93Å; R694-S1133 PolarHBondContact NH2-OG 3.3Å
695	P	91.4	Very high	80.6	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.032	31%	0.311	C	S	.	.			trans	-71	123.8	-178	26.8	-32.8	0	0	0	111.6	W693 L697 K722 L864 L867	W693-P695 HydrophobicContact CH2-CB 3.67Å; W693-P695 HydrophobicContact CH2-CG 4.35Å; W693-P695 HydrophobicContact CZ2-CB 4.33Å; W693-P695 HydrophobicContact CZ3-CB 4.06Å; W693-P695 HydrophobicContact CZ3-CG 4.24Å; P695-L697 HydrophobicContact CB-CD2 4.06Å; P695-K722 PolarHBondContact O-NZ 2.96Å; P695-L864 HydrophobicContact CG-CD2 4.35Å; P695-L867 HydrophobicContact CG-CD1 4.03Å
696	Q	92.8	Very high	81.2	Confident	51 Å²	51	62.9 Å²	62.9	24%	0.238	33%	0.326	C	S	.	.			trans	-111.9	112.5	168	-50	-58.7	-1.9	0	0	107.1	R694 L727 N792 T793	R694-Q696 PolarHBondContact O-N 3.36Å; Q696-L727 HydrophobicContact CB-CB 4.24Å; Q696-L727 PolarHBondContact OE1-O 2.92Å; Q696-N792 PolarHBondContact N-OD1 2.99Å; Q696-N792 PolarHBondContact O-N 2.85Å; Q696-N792 PolarHBondContact O-OD1 3.16Å; Q696-T793 PolarHBondContact O-N 3.13Å
697	L	95.3	Very high	82.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.2	-160.7	-57.6	177.5	0	0	0	111.9	P695 V699 T718 L721 K722 L727 T728 I729 T793 L795 L829	P695-L697 HydrophobicContact CB-CD2 4.06Å; L697-V699 HydrophobicContact CB-CG2 4.07Å; L697-T718 HydrophobicContact CD1-CG2 3.99Å; L697-L721 HydrophobicContact CD1-CD2 4.29Å; L697-K722 HydrophobicContact CD1-CD 3.9Å; L697-K722 HydrophobicContact CD1-CG 3.53Å; L697-K722 HydrophobicContact CG-CD 4.06Å; L697-K722 HydrophobicContact CG-CG 4.24Å; L697-L727 PolarHBondContact N-O 3.39Å; L697-T728 HydrophobicContact CB-CG2 4.44Å; L697-T728 CarbonylContact O-C 3.5Å; L697-T728 WeakPolarHBondContact O-CA 3.42Å; L697-I729 PolarHBondContact O-N 3.06Å; L697-T793 CarbonylContact C-O 3.51Å; L697-T793 WeakPolarHBondContact CA-O 3.3Å; L697-T793 HydrophobicContact CD2-CG2 3.69Å; L697-L795 HydrophobicContact CD1-CD2 4.45Å; L697-L829 HydrophobicContact CD2-CD1 4.25Å
698	L	96.5	Very high	83.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111.6	152.3	173	61.9	0	0	0	107.8	L700 I729 L780 I781 H791 T793 V794 L795	L698-L700 HydrophobicContact CD1-CD2 4.43Å; L698-L700 HydrophobicContact CD2-CD2 4.19Å; L698-L700 HydrophobicContact CG-CD2 4.13Å; L698-L700 HydrophobicContact CG-CG 4.5Å; L698-I729 CarbonylContact C-O 3.5Å; L698-I729 WeakPolarHBondContact CA-O 3.35Å; L698-I729 HydrophobicContact CD1-CB 4.09Å; L698-I729 HydrophobicContact CD1-CG2 3.86Å; L698-L780 HydrophobicContact CD2-CB 4.44Å; L698-I781 HydrophobicContact CD2-CG1 4.4Å; L698-H791 HydrophobicContact CB-CB 3.9Å; L698-H791 WeakPolarHBondContact CB-CD2 3.34Å; L698-H791 WeakPolarHBondContact CD2-NE2 3.43Å; L698-T793 PolarHBondContact N-O 3.35Å; L698-V794 CarbonylContact O-C 3.53Å; L698-V794 WeakPolarHBondContact O-CA 3.3Å; L698-L795 PolarHBondContact O-N 3.14Å
699	V	95.9	Very high	84.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.9	-179.3	-168.9	0	0	0	0	108.5	L697 V701 L714 L715 T718 T728 I729 V730 G731 L795	L697-V699 HydrophobicContact CB-CG2 4.07Å; V699-V701 HydrophobicContact CG1-CG2 4.05Å; V699-V701 PolarHBondContact O-N 3.4Å; V699-L714 HydrophobicContact CG1-CD2 3.74Å; V699-L714 HydrophobicContact CG1-CG 3.81Å; V699-L715 HydrophobicContact CG1-CD2 4.34Å; V699-T718 HydrophobicContact CG2-CG2 3.78Å; V699-T718 WeakPolarHBondContact CG2-OG1 3.37Å; V699-T728 HydrophobicContact CG2-CG2 4.14Å; V699-I729 PolarHBondContact N-O 2.96Å; V699-V730 HydrophobicContact CB-CG2 4.49Å; V699-G731 PolarHBondContact O-N 3.13Å; V699-L795 WeakPolarHBondContact CA-O 3.43Å; V699-L795 HydrophobicContact CG1-CD2 4.19Å; V699-L795 HydrophobicContact CG1-CG 4.35Å; V699-L795 HydrophobicContact CG2-CB 4.45Å; V699-L795 HydrophobicContact CG2-CD2 4.2Å
700	L	94.9	Very high	86.1	Confident	17 Å²	17	53 Å²	53	9%	0.089	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	110.8	179.6	-66	178.5	0	0	0	110.1	L698 V777 L780 V794 L795 V796 L817	L698-L700 HydrophobicContact CD1-CD2 4.43Å; L698-L700 HydrophobicContact CD2-CD2 4.19Å; L698-L700 HydrophobicContact CG-CD2 4.13Å; L698-L700 HydrophobicContact CG-CG 4.5Å; L700-V777 HydrophobicContact CD1-CG1 4.01Å; L700-L780 HydrophobicContact CD2-CD1 4.12Å; L700-V794 HydrophobicContact CD1-CG1 3.73Å; L700-V794 HydrophobicContact CG-CG1 4.12Å; L700-L795 PolarHBondContact N-O 3.49Å; L700-V796 HydrophobicContact CB-CG2 4.26Å; L700-L817 HydrophobicContact CD1-CD1 3.63Å; L700-L817 HydrophobicContact CD1-CD2 4.28Å
701	V	93	Very high	87.3	Confident	10 Å²	10	52.2 Å²	52.2	6%	0.061	25%	0.252	C	S	.	.			trans	-110.5	125.2	-175.1	178.3	0	0	0	0	110.3	V699 V709 L715 V730 G731 S732	V699-V701 HydrophobicContact CG1-CG2 4.05Å; V699-V701 PolarHBondContact O-N 3.4Å; V701-V709 HydrophobicContact CG1-CB 4.17Å; V701-V709 HydrophobicContact CG1-CG1 3.44Å; V701-V709 VanDerWaalsContact CG1-CG1 3.44Å; V701-V709 HydrophobicContact CG1-CG2 3.79Å; V701-L715 HydrophobicContact CG2-CD2 4.22Å; V701-V730 HydrophobicContact CB-CG1 4.32Å; V701-V730 HydrophobicContact CG2-CG1 3.66Å; V701-G731 PolarHBondContact N-O 3.33Å; V701-S732 WeakPolarHBondContact O-CB 3.49Å; V701-S732 PolarHBondContact O-OG 2.88Å
702	R	88.6	Confident	88.5	Confident	166 Å²	166	52.1 Å²	52.1	63%	0.626	26%	0.257	S	S	*	.			trans	-82.6	137.8	170.1	-69.5	-173.9	69.2	178.5	0.3	110.8	V710	R702-V710 HydrophobicContact CB-CG2 4.47Å; R702-V710 PolarHBondContact O-N 2.82Å; R702-V710 VanDerWaalsContact O-N 3.07Å
703	V	88.8	Confident	89.1	Confident	26 Å²	26	52.1 Å²	52.1	16%	0.158	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-112.7	147.7	177.7	172.1	0	0	0	0	108.4	Q707 N708 V709 S732 L734 I752	V703-Q707 VanDerWaalsContact CG1-CA 3.49Å; V703-Q707 HydrophobicContact CG1-CB 4.31Å; V703-N708 CarbonylContact C-O 3.59Å; V703-N708 VanDerWaalsContact CA-O 3.26Å; V703-N708 WeakPolarHBondContact CA-O 3.38Å; V703-V709 HydrophobicContact CG2-CG2 4.41Å; V703-S732 WeakPolarHBondContact CG2-OG 3.46Å; V703-L734 HydrophobicContact CB-CD2 4.25Å; V703-L734 HydrophobicContact CG1-CD2 4.2Å; V703-I752 HydrophobicContact CG2-CD1 4.07Å; V703-I752 HydrophobicContact CG2-CG1 4.45Å
704	D	85.5	Confident	89.4	Confident	63 Å²	63	51.1 Å²	51.1	34%	0.337	25%	0.252	S	S	.	.			trans	-90.9	-175.9	177.2	63.5	28.1	0	0	0	113.2	D706 Q707 N708 V710	D704-D706 VanDerWaalsContact C-N 3.29Å; D704-D706 PolarHBondContact O-N 3.3Å; D704-D706 WeakPolarHBondContact OD1-CA 3.29Å; D704-D706 PolarHBondContact OD1-N 3.36Å; D704-Q707 PolarHBondContact O-N 3.01Å; D704-Q707 PolarHBondContact O-NE2 3.32Å; D704-Q707 VanDerWaalsContact O-NE2 3.16Å; D704-Q707 PolarHBondContact OD1-N 3.06Å; D704-N708 PolarHBondContact N-O 2.88Å; D704-N708 PolarHBondContact OD1-N 3.25Å; D704-N708 WeakPolarHBondContact OD2-CB 3.4Å; D704-V710 HydrophobicContact CB-CG2 4.03Å
705	Q	81.2	Confident	89.6	Confident	188 Å²	188	48.3 Å²	48.3	88%	0.879	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-34.5	-179.4	-64.5	-179.7	-1.2	0	0	112	Q707	Q705-Q707 PolarHBondContact O-N 3.12Å; Q705-Q707 PolarHBondContact O-NE2 3.34Å
706	D	82.1	Confident	89.7	Confident	137 Å²	137	48.2 Å²	48.2	73%	0.733	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	3.9	178.2	-66.2	-46.3	0	0	0	113.4	D704 N708	D704-D706 VanDerWaalsContact C-N 3.29Å; D704-D706 PolarHBondContact O-N 3.3Å; D704-D706 WeakPolarHBondContact OD1-CA 3.29Å; D704-D706 PolarHBondContact OD1-N 3.36Å; D706-N708 VanDerWaalsContact CB-ND2 3.3Å; D706-N708 WeakPolarHBondContact CB-ND2 3.44Å
707	Q	84.4	Confident	89.8	Confident	26 Å²	26	46 Å²	46	12%	0.121	23%	0.231	C	C	.	.	S	Bend	trans	66.7	29.9	-177.9	-47.8	-54.1	-63.6	0	0	114.8	V703 D704 Q705 A748 S751	V703-Q707 VanDerWaalsContact CG1-CA 3.49Å; V703-Q707 HydrophobicContact CG1-CB 4.31Å; D704-Q707 PolarHBondContact O-N 3.01Å; D704-Q707 PolarHBondContact O-NE2 3.32Å; D704-Q707 VanDerWaalsContact O-NE2 3.16Å; D704-Q707 PolarHBondContact OD1-N 3.06Å; Q705-Q707 PolarHBondContact O-N 3.12Å; Q705-Q707 PolarHBondContact O-NE2 3.34Å; Q707-A748 HydrophobicContact CB-CB 4.42Å; Q707-S751 VanDerWaalsContact O-CB 3.28Å; Q707-S751 WeakPolarHBondContact O-CB 3.35Å; Q707-S751 PolarHBondContact O-OG 3.22Å
708	N	87.3	Confident	89.7	Confident	81 Å²	81	46.1 Å²	46.1	43%	0.433	23%	0.231	S	C	.	.			trans	-98.6	155.4	171.6	-55	-75	0	0	0	111.6	V703 D704 D706	V703-N708 CarbonylContact C-O 3.59Å; V703-N708 VanDerWaalsContact CA-O 3.26Å; V703-N708 WeakPolarHBondContact CA-O 3.38Å; D704-N708 PolarHBondContact N-O 2.88Å; D704-N708 PolarHBondContact OD1-N 3.25Å; D704-N708 WeakPolarHBondContact OD2-CB 3.4Å; D706-N708 VanDerWaalsContact CB-ND2 3.3Å; D706-N708 WeakPolarHBondContact CB-ND2 3.44Å
709	V	87.9	Confident	89.6	Confident	17 Å²	17	46.5 Å²	46.5	10%	0.103	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-81.7	119.2	179.7	165.7	0	0	0	0	110.8	V701 V703 H711 I752 L755	V701-V709 HydrophobicContact CG1-CB 4.17Å; V701-V709 HydrophobicContact CG1-CG1 3.44Å; V701-V709 VanDerWaalsContact CG1-CG1 3.44Å; V701-V709 HydrophobicContact CG1-CG2 3.79Å; V703-V709 HydrophobicContact CG2-CG2 4.41Å; V709-H711 VanDerWaalsContact C-N 3.32Å; V709-H711 PolarHBondContact O-N 3.35Å; V709-I752 HydrophobicContact CG2-CG1 3.7Å; V709-L755 HydrophobicContact CB-CD2 3.56Å; V709-L755 HydrophobicContact CG1-CD2 3.68Å; V709-L755 HydrophobicContact CG2-CD2 3.86Å
710	V	84.8	Confident	89.4	Confident	70 Å²	70	46.5 Å²	46.5	42%	0.424	23%	0.234	S	C	.	.	S	Bend	trans	-66.4	-31.6	-173.8	-176.9	0	0	0	0	112.7	R702 D704	R702-V710 HydrophobicContact CB-CG2 4.47Å; R702-V710 PolarHBondContact O-N 2.82Å; R702-V710 VanDerWaalsContact O-N 3.07Å; D704-V710 HydrophobicContact CB-CG2 4.03Å
711	H	85.5	Confident	89.4	Confident	46 Å²	46	46.2 Å²	46.2	21%	0.213	23%	0.232	C	C	.	.			trans	-132.3	74.4	-175.3	-73.7	-5.8	0	0	0	112	V709 Q713 L714 R800 V834	V709-H711 VanDerWaalsContact C-N 3.32Å; V709-H711 PolarHBondContact O-N 3.35Å; H711-Q713 PolarHBondContact O-N 3.23Å; H711-L714 WeakPolarHBondContact O-CB 3.47Å; H711-L714 PolarHBondContact O-N 3.09Å; H711-L714 VanDerWaalsContact O-N 3.16Å; H711-R800 PolarHBondContact CE1-NE 2.85Å; H711-R800 VanDerWaalsContact CE1-NE 3.33Å; H711-R800 PolarHBondContact NE2-NE 3.15Å; H711-V834 HydrophobicContact CB-CG1 4.17Å
712	P	89.6	Confident	89.3	Confident	52 Å²	52	46.8 Å²	46.8	34%	0.338	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.6	-177.6	24.7	-35.1	0	0	0	113.1	L714 L715 S716 L755	P712-L714 PolarHBondContact O-N 3.44Å; P712-L714 VanDerWaalsContact O-N 3.09Å; P712-L715 WeakPolarHBondContact O-CA 3.28Å; P712-L715 WeakPolarHBondContact O-CB 3.45Å; P712-L715 PolarHBondContact O-N 2.92Å; P712-S716 PolarHBondContact O-N 3Å; P712-L755 HydrophobicContact CB-CD1 4.14Å; P712-L755 HydrophobicContact CB-CD2 3.91Å
713	Q	91.2	Very high	89.2	Confident	54 Å²	54	41.6 Å²	41.6	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-16.8	178.9	-67.9	176.8	2.7	0	0	114	H711 L715 S716 L717 V834 S835 F837	H711-Q713 PolarHBondContact O-N 3.23Å; Q713-L715 VanDerWaalsContact C-N 3.32Å; Q713-S716 WeakPolarHBondContact O-CB 3.2Å; Q713-S716 PolarHBondContact O-N 3.14Å; Q713-L717 PolarHBondContact O-N 2.99Å; Q713-V834 HydrophobicContact CB-CG1 4.47Å; Q713-V834 PolarHBondContact OE1-O 2.69Å; Q713-S835 PolarHBondContact NE2-O 2.9Å; Q713-S835 PolarHBondContact OE1-O 3.01Å; Q713-S835 VanDerWaalsContact OE1-O 3.11Å; Q713-F837 HydrophobicContact CB-CB 4.49Å; Q713-F837 PolarHBondContact OE1-O 3.21Å; Q713-F837 VanDerWaalsContact OE1-O 3.04Å
714	L	92.1	Very high	88.8	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-67.1	-35.6	170.6	-166.2	65.9	0	0	0	111.4	V699 H711 P712 T718 L795 T831 V834	V699-L714 HydrophobicContact CG1-CD2 3.74Å; V699-L714 HydrophobicContact CG1-CG 3.81Å; H711-L714 WeakPolarHBondContact O-CB 3.47Å; H711-L714 PolarHBondContact O-N 3.09Å; H711-L714 VanDerWaalsContact O-N 3.16Å; P712-L714 PolarHBondContact O-N 3.44Å; P712-L714 VanDerWaalsContact O-N 3.09Å; L714-T718 WeakPolarHBondContact O-CB 3.42Å; L714-T718 PolarHBondContact O-N 2.92Å; L714-T718 PolarHBondContact O-OG1 3.27Å; L714-L795 HydrophobicContact CD1-CD1 4.06Å; L714-L795 HydrophobicContact CD1-CD2 4.19Å; L714-L795 HydrophobicContact CD1-CG 3.93Å; L714-L795 HydrophobicContact CG-CG 4.45Å; L714-T831 HydrophobicContact CD1-CG2 4.44Å; L714-T831 WeakPolarHBondContact CD1-OG1 3.41Å; L714-V834 HydrophobicContact CB-CG1 4.22Å
715	L	93.5	Very high	88.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-73.7	-36	172.1	-63.3	178.3	0	0	0	111.2	V699 V701 P712 Q713 T718 S719 V730 L755 M756 E759 V761	V699-L715 HydrophobicContact CG1-CD2 4.34Å; V701-L715 HydrophobicContact CG2-CD2 4.22Å; P712-L715 WeakPolarHBondContact O-CA 3.28Å; P712-L715 WeakPolarHBondContact O-CB 3.45Å; P712-L715 PolarHBondContact O-N 2.92Å; Q713-L715 VanDerWaalsContact C-N 3.32Å; L715-T718 WeakPolarHBondContact O-CB 3.43Å; L715-T718 PolarHBondContact O-N 3.43Å; L715-S719 PolarHBondContact O-N 3.33Å; L715-V730 HydrophobicContact CD2-CG1 3.92Å; L715-V730 HydrophobicContact CD2-CG2 3.69Å; L715-L755 HydrophobicContact CD1-CB 4.46Å; L715-L755 HydrophobicContact CD1-CD2 3.78Å; L715-L755 HydrophobicContact CD1-CG 3.88Å; L715-M756 HydrophobicContact CD1-CG 4.24Å; L715-E759 HydrophobicContact CB-CB 4.3Å; L715-E759 HydrophobicContact CB-CG 4.43Å; L715-V761 HydrophobicContact CB-CG2 4.02Å; L715-V761 HydrophobicContact CD2-CG2 4.49Å; L715-V761 VanDerWaalsContact O-CG2 3.22Å; L715-V761 WeakPolarHBondContact O-CG2 3.42Å
716	S	93.4	Very high	89.2	Confident	3 Å²	3	40 Å²	40	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-50	170	-48.7	0	0	0	0	111.5	P712 Q713 T718 S719 Q720 E759	P712-S716 PolarHBondContact O-N 3Å; Q713-S716 WeakPolarHBondContact O-CB 3.2Å; Q713-S716 PolarHBondContact O-N 3.14Å; S716-T718 VanDerWaalsContact C-N 3.3Å; S716-T718 PolarHBondContact O-N 3.36Å; S716-S719 PolarHBondContact O-N 2.66Å; S716-S719 PolarHBondContact O-OG 3.46Å; S716-S719 VanDerWaalsContact O-OG 3.13Å; S716-Q720 WeakPolarHBondContact O-CG 3.28Å; S716-Q720 PolarHBondContact O-N 2.78Å; S716-Q720 PolarHBondContact O-NE2 3.43Å; S716-E759 VanDerWaalsContact CB-OE2 3.29Å; S716-E759 WeakPolarHBondContact CB-OE2 3.39Å; S716-E759 PolarHBondContact OG-OE2 3.15Å
717	L	93.4	Very high	89.7	Confident	6 Å²	6	34.2 Å²	34.2	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-38.8	176.5	179	62.6	0	0	0	111.9	Q713 Q720 L721 T831 F837 L868	Q713-L717 PolarHBondContact O-N 2.99Å; L717-Q720 PolarHBondContact O-N 2.72Å; L717-L721 WeakPolarHBondContact O-CB 3.3Å; L717-L721 PolarHBondContact O-N 3.42Å; L717-T831 HydrophobicContact CD2-CG2 3.6Å; L717-F837 HydrophobicContact CD1-CD1 3.98Å; L717-F837 HydrophobicContact CD1-CE1 4.01Å; L717-F837 HydrophobicContact CD2-CD1 4Å; L717-F837 HydrophobicContact CD2-CE1 3.77Å; L717-F837 HydrophobicContact CD2-CZ 4.39Å; L717-F837 HydrophobicContact CG-CD1 4.39Å; L717-F837 HydrophobicContact CG-CE1 4.46Å; L717-L868 HydrophobicContact CD1-CD1 4.17Å
718	T	93.8	Very high	90.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-47	174.8	-61.7	0	0	0	0	111.4	L697 V699 L714 L715 S716 Q720 L721 K722 T728 V761 L795	L697-T718 HydrophobicContact CD1-CG2 3.99Å; V699-T718 HydrophobicContact CG2-CG2 3.78Å; V699-T718 WeakPolarHBondContact CG2-OG1 3.37Å; L714-T718 WeakPolarHBondContact O-CB 3.42Å; L714-T718 PolarHBondContact O-N 2.92Å; L714-T718 PolarHBondContact O-OG1 3.27Å; L715-T718 WeakPolarHBondContact O-CB 3.43Å; L715-T718 PolarHBondContact O-N 3.43Å; S716-T718 VanDerWaalsContact C-N 3.3Å; S716-T718 PolarHBondContact O-N 3.36Å; T718-Q720 VanDerWaalsContact C-N 3.33Å; T718-Q720 PolarHBondContact O-N 3.16Å; T718-L721 PolarHBondContact O-N 3.3Å; T718-K722 WeakPolarHBondContact O-CB 3.49Å; T718-K722 PolarHBondContact O-N 3.04Å; T718-T728 HydrophobicContact CG2-CG2 3.52Å; T718-V761 HydrophobicContact CG2-CG1 4.11Å; T718-V761 HydrophobicContact CG2-CG2 4.41Å; T718-L795 WeakPolarHBondContact OG1-CD2 3.22Å
719	S	93.9	Very high	90.6	Very high	8 Å²	8	29.7 Å²	29.7	6%	0.056	18%	0.182	C	C	.	.	H	α-helix	trans	-69.5	-31.8	178.9	79.2	0	0	0	0	112.5	L715 S716 A723 E759 N840	L715-S719 PolarHBondContact O-N 3.33Å; S716-S719 PolarHBondContact O-N 2.66Å; S716-S719 PolarHBondContact O-OG 3.46Å; S716-S719 VanDerWaalsContact O-OG 3.13Å; S719-A723 VanDerWaalsContact O-CA 3.25Å; S719-A723 WeakPolarHBondContact O-CA 3.37Å; S719-A723 PolarHBondContact O-N 2.89Å; S719-E759 WeakPolarHBondContact CB-O 3.39Å; S719-E759 PolarHBondContact OG-O 3.33Å; S719-N840 PolarHBondContact OG-ND2 3.4Å; S719-N840 PolarHBondContact OG-OD1 3.19Å
720	Q	93.3	Very high	91	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-46.3	173.3	-64.5	166.9	33.6	0	0	112.6	S716 L717 T718 P838 L868 H871 V873	S716-Q720 WeakPolarHBondContact O-CG 3.28Å; S716-Q720 PolarHBondContact O-N 2.78Å; S716-Q720 PolarHBondContact O-NE2 3.43Å; L717-Q720 PolarHBondContact O-N 2.72Å; T718-Q720 VanDerWaalsContact C-N 3.33Å; T718-Q720 PolarHBondContact O-N 3.16Å; Q720-P838 PolarHBondContact NE2-O 3.01Å; Q720-L868 HydrophobicContact CB-CD1 4.02Å; Q720-H871 HydrophobicContact CB-CB 4.48Å; Q720-H871 WeakPolarHBondContact CG-ND1 3.4Å; Q720-H871 WeakPolarHBondContact O-CB 3.2Å; Q720-V873 HydrophobicContact CG-CG2 4.2Å
721	L	93.1	Very high	91.5	Very high	11 Å²	11	25.5 Å²	25.5	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-70.9	-35.7	-178.6	-179.3	60.5	0	0	0	112.7	L697 L717 T718 L829 L864 L867 L868	L697-L721 HydrophobicContact CD1-CD2 4.29Å; L717-L721 WeakPolarHBondContact O-CB 3.3Å; L717-L721 PolarHBondContact O-N 3.42Å; T718-L721 PolarHBondContact O-N 3.3Å; L721-L829 HydrophobicContact CD2-CD1 4.23Å; L721-L864 HydrophobicContact CD1-CD2 4.12Å; L721-L864 HydrophobicContact CD2-CD2 4.2Å; L721-L867 HydrophobicContact CD1-CB 4.17Å; L721-L868 HydrophobicContact CB-CD1 4.37Å; L721-L868 HydrophobicContact CD1-CB 4.49Å
722	K	92	Very high	91.9	Very high	21 Å²	21	23.5 Å²	23.5	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-94	-19.2	-177.5	-65.1	-77.6	-83	175.7	0	113.8	P695 L697 T718 G724 K725 L727 T728	P695-K722 PolarHBondContact O-NZ 2.96Å; L697-K722 HydrophobicContact CD1-CD 3.9Å; L697-K722 HydrophobicContact CD1-CG 3.53Å; L697-K722 HydrophobicContact CG-CD 4.06Å; L697-K722 HydrophobicContact CG-CG 4.24Å; T718-K722 WeakPolarHBondContact O-CB 3.49Å; T718-K722 PolarHBondContact O-N 3.04Å; K722-G724 PolarHBondContact O-N 2.77Å; K722-K725 WeakPolarHBondContact CE-O 3.34Å; K722-K725 PolarHBondContact NZ-O 2.77Å; K722-K725 WeakPolarHBondContact O-CB 3.36Å; K722-K725 PolarHBondContact O-N 3.33Å; K722-L727 WeakPolarHBondContact CE-O 3.47Å; K722-L727 PolarHBondContact NZ-O 3.23Å; K722-T728 WeakPolarHBondContact CE-OG1 3.04Å
723	A	86.8	Confident	92.1	Very high	58 Å²	58	21.9 Å²	21.9	48%	0.479	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	31.9	-175	0	0	0	0	0	114.2	S719	S719-A723 VanDerWaalsContact O-CA 3.25Å; S719-A723 WeakPolarHBondContact O-CA 3.37Å; S719-A723 PolarHBondContact O-N 2.89Å
724	G	80.9	Confident	92.1	Very high	30 Å²	30	20 Å²	20	31%	0.309	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	22.3	-176.3	0	0	0	0	0	115.8	K722	K722-G724 PolarHBondContact O-N 2.77Å
725	K	87	Confident	92	Very high	157 Å²	157	26.1 Å²	26.1	68%	0.683	16%	0.157	S	C	*	.			trans	-118.4	146.7	179.9	-59.7	-179.3	-178.2	178.4	0	113.1	K722	K722-K725 WeakPolarHBondContact CE-O 3.34Å; K722-K725 PolarHBondContact NZ-O 2.77Å; K722-K725 WeakPolarHBondContact O-CB 3.36Å; K722-K725 PolarHBondContact O-N 3.33Å
726	G	87.2	Confident	91.9	Very high	57 Å²	57	27.2 Å²	27.2	59%	0.588	17%	0.168	S	C	*	.	S	Bend	trans	73.4	-173.2	178.4	0	0	0	0	0	113.4
727	L	91.8	Very high	91.8	Very high	15 Å²	15	30.9 Å²	30.9	8%	0.079	19%	0.191	C	C	.	.			trans	-78.7	137.4	-178	-178.6	67.5	0	0	0	111.4	Q696 L697 K722 I729 F764 L789 Q790	Q696-L727 HydrophobicContact CB-CB 4.24Å; Q696-L727 PolarHBondContact OE1-O 2.92Å; L697-L727 PolarHBondContact N-O 3.39Å; K722-L727 WeakPolarHBondContact CE-O 3.47Å; K722-L727 PolarHBondContact NZ-O 3.23Å; L727-I729 HydrophobicContact CD1-CG1 4.16Å; L727-I729 HydrophobicContact CD2-CD1 4.28Å; L727-I729 HydrophobicContact CD2-CG1 4.49Å; L727-I729 HydrophobicContact CG-CG1 4.28Å; L727-F764 HydrophobicContact CD1-CD2 3.8Å; L727-F764 HydrophobicContact CD1-CE2 3.72Å; L727-L789 HydrophobicContact CB-CD1 4.27Å; L727-L789 HydrophobicContact CD1-CD1 4.22Å; L727-L789 HydrophobicContact CD1-CD2 4.43Å; L727-L789 HydrophobicContact CD1-CG 4.16Å; L727-L789 HydrophobicContact CD2-CD1 4.02Å; L727-L789 HydrophobicContact CD2-CG 4.06Å; L727-L789 HydrophobicContact CG-CD1 4.41Å; L727-Q790 VanDerWaalsContact CD2-C 3.47Å; L727-Q790 WeakPolarHBondContact CD2-O 3.47Å
728	T	95.4	Very high	91.7	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	130.6	167.9	-51.1	0	0	0	0	107.7	L697 V699 T718 K722 V761 G763 F764	L697-T728 HydrophobicContact CB-CG2 4.44Å; L697-T728 CarbonylContact O-C 3.5Å; L697-T728 WeakPolarHBondContact O-CA 3.42Å; V699-T728 HydrophobicContact CG2-CG2 4.14Å; T718-T728 HydrophobicContact CG2-CG2 3.52Å; K722-T728 WeakPolarHBondContact CE-OG1 3.04Å; T728-V761 HydrophobicContact CG2-CG1 3.92Å; T728-G763 CarbonylContact O-C 3.49Å; T728-G763 WeakPolarHBondContact O-CA 3.44Å; T728-F764 PolarHBondContact O-N 3.31Å
729	I	96	Very high	91.6	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.6	172.8	-56.8	175.3	0	0	0	106.7	L697 L698 V699 L727 F764 Q766 G784	L697-I729 PolarHBondContact O-N 3.06Å; L698-I729 CarbonylContact C-O 3.5Å; L698-I729 WeakPolarHBondContact CA-O 3.35Å; L698-I729 HydrophobicContact CD1-CB 4.09Å; L698-I729 HydrophobicContact CD1-CG2 3.86Å; V699-I729 PolarHBondContact N-O 2.96Å; L727-I729 HydrophobicContact CD1-CG1 4.16Å; L727-I729 HydrophobicContact CD2-CD1 4.28Å; L727-I729 HydrophobicContact CD2-CG1 4.49Å; L727-I729 HydrophobicContact CG-CG1 4.28Å; I729-F764 CarbonylContact C-O 3.57Å; I729-F764 WeakPolarHBondContact CA-O 3.43Å; I729-Q766 HydrophobicContact CG2-CB 4.28Å; I729-G784 WeakPolarHBondContact CD1-O 3.44Å
730	V	96.1	Very high	91.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	104.8	175.1	-177.6	0	0	0	0	107.9	V699 V701 L715 I752 M756 V761 F764 C765 Q766	V699-V730 HydrophobicContact CB-CG2 4.49Å; V701-V730 HydrophobicContact CB-CG1 4.32Å; V701-V730 HydrophobicContact CG2-CG1 3.66Å; L715-V730 HydrophobicContact CD2-CG1 3.92Å; L715-V730 HydrophobicContact CD2-CG2 3.69Å; V730-I752 HydrophobicContact CB-CG2 4.28Å; V730-I752 HydrophobicContact CG1-CG2 3.62Å; V730-M756 HydrophobicContact CB-CE 4.42Å; V730-M756 HydrophobicContact CB-SD 3.83Å; V730-M756 HydrophobicContact CG1-SD 4.44Å; V730-M756 HydrophobicContact CG2-CE 3.78Å; V730-M756 HydrophobicContact CG2-CG 4.07Å; V730-M756 HydrophobicContact CG2-SD 3.62Å; V730-V761 HydrophobicContact CG2-CG1 4.45Å; V730-F764 PolarHBondContact N-O 2.79Å; V730-C765 WeakPolarHBondContact O-CA 3.35Å; V730-Q766 PolarHBondContact O-N 3.49Å
731	G	94.8	Very high	91.3	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.5	-178.2	0	0	0	0	0	111.7	V699 V701 Q766	V699-G731 PolarHBondContact O-N 3.13Å; V701-G731 PolarHBondContact N-O 3.33Å; G731-Q766 WeakPolarHBondContact CA-O 3.47Å
732	S	94.5	Very high	91.3	Very high	3 Å²	3	53 Å²	53	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.2	168.1	-161.5	0	0	0	0	111.1	V701 V703 Q766 V767 V768	V701-S732 WeakPolarHBondContact O-CB 3.49Å; V701-S732 PolarHBondContact O-OG 2.88Å; V703-S732 WeakPolarHBondContact CG2-OG 3.46Å; S732-Q766 PolarHBondContact N-O 2.99Å; S732-V767 WeakPolarHBondContact O-CA 3.22Å; S732-V768 PolarHBondContact O-N 3.29Å
733	V	93.5	Very high	91.2	Very high	18 Å²	18	55 Å²	55	11%	0.109	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125	-179.9	-176.4	0	0	0	0	108.7	V768 L773 V777 L780	V733-V768 CarbonylContact C-O 3.52Å; V733-V768 VanDerWaalsContact CA-O 3.3Å; V733-V768 WeakPolarHBondContact CA-O 3.24Å; V733-L773 HydrophobicContact CB-CD1 3.9Å; V733-L773 HydrophobicContact CG1-CD1 3.94Å; V733-V777 HydrophobicContact CB-CG2 4.41Å; V733-V777 HydrophobicContact CG2-CG2 3.78Å; V733-L780 HydrophobicContact CG2-CD1 3.47Å; V733-L780 VanDerWaalsContact CG2-CD1 3.47Å; V733-L780 HydrophobicContact CG2-CG 4.31Å
734	L	92.3	Very high	91.3	Very high	16 Å²	16	55.7 Å²	55.7	8%	0.084	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.1	173.1	-60.5	-178.6	0	0	0	109.5	V703 A745 A748 V767 V768 I769 S770	V703-L734 HydrophobicContact CB-CD2 4.25Å; V703-L734 HydrophobicContact CG1-CD2 4.2Å; L734-A745 HydrophobicContact CD1-CB 4.03Å; L734-A748 HydrophobicContact CD1-CB 4.03Å; L734-V767 HydrophobicContact CD1-CG1 4.04Å; L734-V767 HydrophobicContact CG-CG1 4.08Å; L734-V768 PolarHBondContact N-O 2.84Å; L734-I769 HydrophobicContact CB-CG1 4.49Å; L734-I769 WeakPolarHBondContact O-CA 3.49Å; L734-S770 PolarHBondContact O-N 3.22Å
735	E	89.9	Confident	91.8	Very high	132 Å²	132	54.8 Å²	54.8	62%	0.617	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	133.6	179.9	-163.9	166.6	165.6	0	0	110.9	N741 S770	E735-N741 PolarHBondContact O-ND2 3.31Å; E735-S770 CarbonylContact C-O 3.59Å; E735-S770 VanDerWaalsContact CA-O 3.31Å; E735-S770 WeakPolarHBondContact CA-O 3.34Å
736	G	90.6	Very high	92	Very high	23 Å²	23	52.1 Å²	52.1	24%	0.237	29%	0.287	C	S	.	.	S	Bend	trans	132.4	-158.4	176.4	0	0	0	0	0	114.5	I769 S770 S771	G736-I769 WeakPolarHBondContact O-CG2 3.5Å; G736-S770 PolarHBondContact N-O 3.2Å; G736-S770 CarbonylContact O-C 3.57Å; G736-S771 PolarHBondContact O-N 2.87Å
737	T	91.3	Very high	92.2	Very high	80 Å²	80	57.7 Å²	57.7	49%	0.491	29%	0.291	S	S	.	.			trans	-102.1	133.8	-173.4	-47.1	0	0	0	0	111	L739 D740 N741	T737-L739 VanDerWaalsContact C-N 3.31Å; T737-L739 PolarHBondContact O-N 3.36Å; T737-D740 WeakPolarHBondContact CB-OD2 3.19Å; T737-D740 PolarHBondContact O-N 2.78Å; T737-N741 WeakPolarHBondContact O-CB 3.48Å; T737-N741 PolarHBondContact O-N 2.93Å
738	F	90.8	Very high	92.3	Very high	126 Å²	126	57 Å²	57	55%	0.553	29%	0.287	S	S	*	.	H	α-helix	trans	-59.1	-38.4	-177.1	179.5	-90.5	0	0	0	113.6	D740 H742 I769	F738-D740 VanDerWaalsContact C-N 3.34Å; F738-D740 PolarHBondContact O-N 3.31Å; F738-H742 AromaticContact CE1-ND1 3.86Å; F738-H742 AromaticContact CE2-ND1 3.49Å; F738-H742 WeakPolarHBondContact CE2-ND1 3.41Å; F738-H742 AromaticContact CZ-CE1 3.72Å; F738-H742 AromaticContact CZ-ND1 3.19Å; F738-H742 WeakPolarHBondContact CZ-ND1 3.37Å; F738-H742 WeakPolarHBondContact O-CB 3.25Å; F738-H742 PolarHBondContact O-N 2.9Å; F738-H742 VanDerWaalsContact O-N 3.1Å; F738-I769 HydrophobicContact CD2-CB 4.41Å; F738-I769 HydrophobicContact CD2-CD1 3.91Å; F738-I769 HydrophobicContact CG-CD1 4.47Å
739	L	92.1	Very high	92.2	Very high	150 Å²	150	59.7 Å²	59.7	79%	0.785	30%	0.3	S	S	*	.	H	α-helix	trans	-60	-42.9	-177.2	-64.8	174.2	0	0	0	112.4	T737	T737-L739 VanDerWaalsContact C-N 3.31Å; T737-L739 PolarHBondContact O-N 3.36Å
740	D	91.6	Very high	92	Very high	111 Å²	111	64.1 Å²	64.1	59%	0.594	32%	0.32	S	S	*	.	H	α-helix	trans	-88.5	-38.9	-174.6	-46.9	-68.4	0	0	0	111.7	T737 F738	T737-D740 WeakPolarHBondContact CB-OD2 3.19Å; T737-D740 PolarHBondContact O-N 2.78Å; F738-D740 VanDerWaalsContact C-N 3.34Å; F738-D740 PolarHBondContact O-N 3.31Å
741	N	90.6	Very high	91.9	Very high	30 Å²	30	65.4 Å²	65.4	16%	0.16	33%	0.329	C	S	.	.	H	α-helix	trans	-93.5	2	-173	-69.1	-4.7	0	0	0	114.2	E735 T737 Q744 A745 I769	E735-N741 PolarHBondContact O-ND2 3.31Å; T737-N741 WeakPolarHBondContact O-CB 3.48Å; T737-N741 PolarHBondContact O-N 2.93Å; N741-Q744 WeakPolarHBondContact O-CA 3.41Å; N741-Q744 VanDerWaalsContact O-CB 3.31Å; N741-Q744 WeakPolarHBondContact O-CB 3.38Å; N741-Q744 PolarHBondContact O-N 3.05Å; N741-Q744 PolarHBondContact OD1-NE2 3.12Å; N741-Q744 VanDerWaalsContact OD1-NE2 3.09Å; N741-A745 PolarHBondContact O-N 3.35Å; N741-A745 VanDerWaalsContact O-N 3.09Å; N741-I769 HydrophobicContact CB-CD1 4.02Å; N741-I769 HydrophobicContact CB-CG2 4.47Å
742	H	91.2	Very high	91.8	Very high	75 Å²	75	65.4 Å²	65.4	35%	0.347	33%	0.329	S	S	.	.	H	α-helix	trans	-47.5	-48.6	176.4	-168.5	72.4	0	0	0	114.9	F738 Q744 A745 Q746	F738-H742 AromaticContact CE1-ND1 3.86Å; F738-H742 AromaticContact CE2-ND1 3.49Å; F738-H742 WeakPolarHBondContact CE2-ND1 3.41Å; F738-H742 AromaticContact CZ-CE1 3.72Å; F738-H742 AromaticContact CZ-ND1 3.19Å; F738-H742 WeakPolarHBondContact CZ-ND1 3.37Å; F738-H742 WeakPolarHBondContact O-CB 3.25Å; F738-H742 PolarHBondContact O-N 2.9Å; F738-H742 VanDerWaalsContact O-N 3.1Å; H742-Q744 PolarHBondContact O-N 3.5Å; H742-A745 PolarHBondContact O-N 2.78Å; H742-Q746 PolarHBondContact CD2-NE2 3.24Å; H742-Q746 PolarHBondContact NE2-NE2 2.72Å; H742-Q746 PolarHBondContact O-N 2.87Å; H742-Q746 VanDerWaalsContact O-N 3.15Å
743	P	91.1	Very high	91.9	Very high	62 Å²	62	71.3 Å²	71.3	40%	0.403	35%	0.351	S	S	.	.	H	α-helix	trans	-69.7	-17.6	177.8	28.7	-36.4	0	0	0	113.7	R747	P743-R747 VanDerWaalsContact O-CG 3.3Å; P743-R747 WeakPolarHBondContact O-CG 3.32Å; P743-R747 PolarHBondContact O-N 3.38Å
744	Q	89.6	Confident	91.9	Very high	73 Å²	73	78.2 Å²	78.2	34%	0.341	38%	0.375	S	S	.	.	H	α-helix	trans	-76.1	-43.4	172.4	-56.6	173.1	14.9	0	0	110.1	N741 H742 Q746 R747 A748	N741-Q744 WeakPolarHBondContact O-CA 3.41Å; N741-Q744 VanDerWaalsContact O-CB 3.31Å; N741-Q744 WeakPolarHBondContact O-CB 3.38Å; N741-Q744 PolarHBondContact O-N 3.05Å; N741-Q744 PolarHBondContact OD1-NE2 3.12Å; N741-Q744 VanDerWaalsContact OD1-NE2 3.09Å; H742-Q744 PolarHBondContact O-N 3.5Å; Q744-Q746 VanDerWaalsContact C-N 3.35Å; Q744-Q746 PolarHBondContact O-N 2.64Å; Q744-R747 PolarHBondContact O-N 3.44Å; Q744-R747 VanDerWaalsContact O-N 3.16Å; Q744-A748 PolarHBondContact O-N 2.86Å
745	A	90.8	Very high	91.9	Very high	12 Å²	12	79.4 Å²	79.4	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-60.9	-40	175	0	0	0	0	0	112.9	L734 N741 H742 R747 A748 E749 V767 I769	L734-A745 HydrophobicContact CD1-CB 4.03Å; N741-A745 PolarHBondContact O-N 3.35Å; N741-A745 VanDerWaalsContact O-N 3.09Å; H742-A745 PolarHBondContact O-N 2.78Å; A745-R747 PolarHBondContact O-N 2.93Å; A745-A748 PolarHBondContact O-N 2.93Å; A745-E749 WeakPolarHBondContact O-CB 3.28Å; A745-E749 PolarHBondContact O-N 2.78Å; A745-V767 HydrophobicContact CB-CG1 3.99Å; A745-I769 HydrophobicContact CB-CD1 3.75Å; A745-I769 HydrophobicContact CB-CG1 3.87Å
746	Q	91.4	Very high	92.1	Very high	100 Å²	100	73.5 Å²	73.5	47%	0.467	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-44.8	173.4	-68.7	-176.4	-2.4	0	0	111.9	H742 Q744 E749 E750	H742-Q746 PolarHBondContact CD2-NE2 3.24Å; H742-Q746 PolarHBondContact NE2-NE2 2.72Å; H742-Q746 PolarHBondContact O-N 2.87Å; H742-Q746 VanDerWaalsContact O-N 3.15Å; Q744-Q746 VanDerWaalsContact C-N 3.35Å; Q744-Q746 PolarHBondContact O-N 2.64Å; Q746-E749 PolarHBondContact O-N 3.43Å; Q746-E750 PolarHBondContact O-N 3.13Å
747	R	91.5	Very high	92.3	Very high	174 Å²	174	79 Å²	79	66%	0.657	37%	0.373	S	S	*	.	H	α-helix	trans	-64.7	-41.5	176.6	-69.2	170.4	-172.2	-178.2	3.3	112.2	P743 Q744 A745 E750 S751	P743-R747 VanDerWaalsContact O-CG 3.3Å; P743-R747 WeakPolarHBondContact O-CG 3.32Å; P743-R747 PolarHBondContact O-N 3.38Å; Q744-R747 PolarHBondContact O-N 3.44Å; Q744-R747 VanDerWaalsContact O-N 3.16Å; A745-R747 PolarHBondContact O-N 2.93Å; R747-E750 PolarHBondContact O-N 3.15Å; R747-S751 WeakPolarHBondContact O-CB 3.29Å; R747-S751 PolarHBondContact O-N 3.23Å
748	A	92.3	Very high	92.4	Very high	0 Å²	0	78.2 Å²	78.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.8	-41.4	176	0	0	0	0	0	111.7	Q707 L734 Q744 A745 S751 I752 V767	Q707-A748 HydrophobicContact CB-CB 4.42Å; L734-A748 HydrophobicContact CD1-CB 4.03Å; Q744-A748 PolarHBondContact O-N 2.86Å; A745-A748 PolarHBondContact O-N 2.93Å; A748-S751 WeakPolarHBondContact O-CB 3.45Å; A748-S751 PolarHBondContact O-N 3.41Å; A748-I752 WeakPolarHBondContact O-CB 3.3Å; A748-I752 WeakPolarHBondContact O-CD1 3.12Å; A748-I752 VanDerWaalsContact O-CG1 3.22Å; A748-I752 WeakPolarHBondContact O-CG1 3.24Å; A748-I752 PolarHBondContact O-N 3.48Å; A748-V767 HydrophobicContact CB-CG1 4.46Å
749	E	93.6	Very high	92.4	Very high	61 Å²	61	74.1 Å²	74.1	29%	0.285	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-43.3	176.8	-157.2	-156.7	139.2	0	0	111.6	A745 Q746 R753 C765 V767	A745-E749 WeakPolarHBondContact O-CB 3.28Å; A745-E749 PolarHBondContact O-N 2.78Å; Q746-E749 PolarHBondContact O-N 3.43Å; E749-R753 VanDerWaalsContact O-CB 3.22Å; E749-R753 WeakPolarHBondContact O-CB 3.49Å; E749-R753 PolarHBondContact O-N 3.45Å; E749-R753 IonicContact OE1-CZ 3.58Å; E749-R753 IonicContact OE1-NE 2.65Å; E749-R753 IonicContact OE1-NH2 3.75Å; E749-R753 PolarHBondContact OE1-NH2 3.42Å; E749-C765 HydrophobicContact CG-CB 4.05Å; E749-V767 HydrophobicContact CB-CG2 3.88Å; E749-V767 HydrophobicContact CG-CG2 4.06Å
750	E	92.9	Very high	92.4	Very high	100 Å²	100	74.5 Å²	74.5	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-44	172.8	-79.6	-165.5	-133.1	0	0	112.4	Q746 R747 R753 R754	Q746-E750 PolarHBondContact O-N 3.13Å; R747-E750 PolarHBondContact O-N 3.15Å; E750-R753 PolarHBondContact O-N 2.66Å; E750-R754 WeakPolarHBondContact O-CB 3.36Å; E750-R754 WeakPolarHBondContact O-CD 3.39Å; E750-R754 WeakPolarHBondContact O-CG 3.35Å; E750-R754 PolarHBondContact O-N 3.45Å; E750-R754 IonicContact OE2-CZ 3.83Å; E750-R754 IonicContact OE2-NE 2.65Å; E750-R754 IonicContact OE2-NH2 2.73Å; E750-R754 PolarHBondContact OE2-NH2 2.71Å
751	S	93.4	Very high	92.5	Very high	28 Å²	28	69.8 Å²	69.8	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-49.7	177.6	-180	0	0	0	0	111.4	Q707 R747 A748 L755	Q707-S751 VanDerWaalsContact O-CB 3.28Å; Q707-S751 WeakPolarHBondContact O-CB 3.35Å; Q707-S751 PolarHBondContact O-OG 3.22Å; R747-S751 WeakPolarHBondContact O-CB 3.29Å; R747-S751 PolarHBondContact O-N 3.23Å; A748-S751 WeakPolarHBondContact O-CB 3.45Å; A748-S751 PolarHBondContact O-N 3.41Å; S751-L755 PolarHBondContact O-N 3.1Å
752	I	94	Very high	92.6	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-44.5	174.7	-66.5	161.4	0	0	0	111.1	V703 V709 V730 A748 L755 M756 C765 V767	V703-I752 HydrophobicContact CG2-CD1 4.07Å; V703-I752 HydrophobicContact CG2-CG1 4.45Å; V709-I752 HydrophobicContact CG2-CG1 3.7Å; V730-I752 HydrophobicContact CB-CG2 4.28Å; V730-I752 HydrophobicContact CG1-CG2 3.62Å; A748-I752 WeakPolarHBondContact O-CB 3.3Å; A748-I752 WeakPolarHBondContact O-CD1 3.12Å; A748-I752 VanDerWaalsContact O-CG1 3.22Å; A748-I752 WeakPolarHBondContact O-CG1 3.24Å; A748-I752 PolarHBondContact O-N 3.48Å; I752-L755 PolarHBondContact O-N 3.24Å; I752-M756 HydrophobicContact CG2-CG 4.23Å; I752-M756 HydrophobicContact CG2-SD 3.89Å; I752-M756 WeakPolarHBondContact O-CG 3.4Å; I752-M756 PolarHBondContact O-N 3Å; I752-C765 HydrophobicContact CG2-CB 4.47Å; I752-C765 WeakPolarHBondContact CG2-SG 3.14Å; I752-V767 HydrophobicContact CD1-CG2 3.93Å
753	R	94.9	Very high	92.6	Very high	126 Å²	126	73.8 Å²	73.8	48%	0.475	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-44.8	-178.1	-167	-174.1	-62.9	-175.3	0.4	112.2	E749 E750 L755 M756 E757	E749-R753 VanDerWaalsContact O-CB 3.22Å; E749-R753 WeakPolarHBondContact O-CB 3.49Å; E749-R753 PolarHBondContact O-N 3.45Å; E749-R753 IonicContact OE1-CZ 3.58Å; E749-R753 IonicContact OE1-NE 2.65Å; E749-R753 IonicContact OE1-NH2 3.75Å; E749-R753 PolarHBondContact OE1-NH2 3.42Å; E750-R753 PolarHBondContact O-N 2.66Å; R753-L755 VanDerWaalsContact C-N 3.28Å; R753-L755 PolarHBondContact O-N 2.66Å; R753-M756 WeakPolarHBondContact O-CB 3.2Å; R753-M756 PolarHBondContact O-N 3.21Å; R753-E757 PolarHBondContact O-N 2.89Å
754	R	93.9	Very high	92.8	Very high	164 Å²	164	77 Å²	77	62%	0.619	36%	0.361	S	S	*	.	H	α-helix	trans	-59.1	-39.5	174.3	-67.7	165.8	-166.7	-164.6	6.6	111.5	E750 E757 A758	E750-R754 WeakPolarHBondContact O-CB 3.36Å; E750-R754 WeakPolarHBondContact O-CD 3.39Å; E750-R754 WeakPolarHBondContact O-CG 3.35Å; E750-R754 PolarHBondContact O-N 3.45Å; E750-R754 IonicContact OE2-CZ 3.83Å; E750-R754 IonicContact OE2-NE 2.65Å; E750-R754 IonicContact OE2-NH2 2.73Å; E750-R754 PolarHBondContact OE2-NH2 2.71Å; R754-E757 PolarHBondContact O-N 3.26Å; R754-A758 PolarHBondContact O-N 3.44Å; R754-A758 VanDerWaalsContact O-N 3.1Å
755	L	93.4	Very high	93.1	Very high	40 Å²	40	74.9 Å²	74.9	21%	0.209	35%	0.353	C	S	.	.	H	α-helix	trans	-72	-37.2	176.9	-176.1	62.9	0	0	0	112.8	V709 P712 L715 S751 I752 R753 E757 A758 E759	V709-L755 HydrophobicContact CB-CD2 3.56Å; V709-L755 HydrophobicContact CG1-CD2 3.68Å; V709-L755 HydrophobicContact CG2-CD2 3.86Å; P712-L755 HydrophobicContact CB-CD1 4.14Å; P712-L755 HydrophobicContact CB-CD2 3.91Å; L715-L755 HydrophobicContact CD1-CB 4.46Å; L715-L755 HydrophobicContact CD1-CD2 3.78Å; L715-L755 HydrophobicContact CD1-CG 3.88Å; S751-L755 PolarHBondContact O-N 3.1Å; I752-L755 PolarHBondContact O-N 3.24Å; R753-L755 VanDerWaalsContact C-N 3.28Å; R753-L755 PolarHBondContact O-N 2.66Å; L755-E757 VanDerWaalsContact C-N 3.3Å; L755-E757 PolarHBondContact O-N 3.44Å; L755-A758 PolarHBondContact O-N 3.07Å; L755-E759 HydrophobicContact CD1-CG 4.28Å; L755-E759 PolarHBondContact O-N 2.71Å
756	M	94	Very high	93.2	Very high	8 Å²	8	77 Å²	77	4%	0.039	36%	0.361	C	S	.	.	H	α-helix	trans	-60	-40.7	172.2	-74.1	171.2	66.1	0	0	111.5	L715 V730 I752 R753 K760 V761 C765	L715-M756 HydrophobicContact CD1-CG 4.24Å; V730-M756 HydrophobicContact CB-CE 4.42Å; V730-M756 HydrophobicContact CB-SD 3.83Å; V730-M756 HydrophobicContact CG1-SD 4.44Å; V730-M756 HydrophobicContact CG2-CE 3.78Å; V730-M756 HydrophobicContact CG2-CG 4.07Å; V730-M756 HydrophobicContact CG2-SD 3.62Å; I752-M756 HydrophobicContact CG2-CG 4.23Å; I752-M756 HydrophobicContact CG2-SD 3.89Å; I752-M756 WeakPolarHBondContact O-CG 3.4Å; I752-M756 PolarHBondContact O-N 3Å; R753-M756 WeakPolarHBondContact O-CB 3.2Å; R753-M756 PolarHBondContact O-N 3.21Å; M756-K760 CarbonylContact O-C 3.6Å; M756-K760 WeakPolarHBondContact O-CA 3.32Å; M756-K760 PolarHBondContact O-N 3.5Å; M756-V761 HydrophobicContact CB-CB 4.17Å; M756-V761 HydrophobicContact CE-CG1 4.11Å; M756-V761 HydrophobicContact CG-CB 4.3Å; M756-V761 HydrophobicContact CG-CG1 4.47Å; M756-V761 PolarHBondContact O-N 2.99Å; M756-C765 HydrophobicContact SD-CB 4.16Å
757	E	94	Very high	93.3	Very high	140 Å²	140	73.7 Å²	73.7	65%	0.654	35%	0.347	S	S	*	.	H	α-helix	trans	-65.4	-44.7	175.4	-72	172.9	-161.7	0	0	111.9	R753 R754 L755 K760	R753-E757 PolarHBondContact O-N 2.89Å; R754-E757 PolarHBondContact O-N 3.26Å; L755-E757 VanDerWaalsContact C-N 3.3Å; L755-E757 PolarHBondContact O-N 3.44Å; E757-K760 PolarHBondContact O-N 2.96Å
758	A	92.7	Very high	93.5	Very high	63 Å²	63	67.1 Å²	67.1	52%	0.521	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-47.1	176.5	0	0	0	0	0	112.8	R754 L755 K760	R754-A758 PolarHBondContact O-N 3.44Å; R754-A758 VanDerWaalsContact O-N 3.1Å; L755-A758 PolarHBondContact O-N 3.07Å; A758-K760 PolarHBondContact O-N 2.65Å
759	E	91.6	Very high	93.5	Very high	39 Å²	39	68.3 Å²	68.3	18%	0.182	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.1	177.2	-68.2	-56.8	137.9	0	0	113.9	L715 S716 S719 L755 V761 N840	L715-E759 HydrophobicContact CB-CB 4.3Å; L715-E759 HydrophobicContact CB-CG 4.43Å; S716-E759 VanDerWaalsContact CB-OE2 3.29Å; S716-E759 WeakPolarHBondContact CB-OE2 3.39Å; S716-E759 PolarHBondContact OG-OE2 3.15Å; S719-E759 WeakPolarHBondContact CB-O 3.39Å; S719-E759 PolarHBondContact OG-O 3.33Å; L755-E759 HydrophobicContact CD1-CG 4.28Å; L755-E759 PolarHBondContact O-N 2.71Å; E759-V761 VanDerWaalsContact C-N 3.26Å; E759-V761 HydrophobicContact CB-CG2 4.34Å; E759-V761 PolarHBondContact O-N 2.93Å; E759-N840 PolarHBondContact O-ND2 3.05Å; E759-N840 PolarHBondContact OE2-ND2 2.89Å
760	K	92.1	Very high	93.5	Very high	158 Å²	158	66.2 Å²	66.2	69%	0.687	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	30.1	175.2	-57	167.7	-170.9	172.3	0	113.5	M756 E757 A758 K762	M756-K760 CarbonylContact O-C 3.6Å; M756-K760 WeakPolarHBondContact O-CA 3.32Å; M756-K760 PolarHBondContact O-N 3.5Å; E757-K760 PolarHBondContact O-N 2.96Å; A758-K760 PolarHBondContact O-N 2.65Å; K760-K762 PolarHBondContact O-N 2.81Å
761	V	93.7	Very high	93.4	Very high	12 Å²	12	66.3 Å²	66.3	7%	0.073	34%	0.337	C	S	.	.			trans	-75.6	106	171.4	180	0	0	0	0	109.1	L715 T718 T728 V730 M756 E759 G763	L715-V761 HydrophobicContact CB-CG2 4.02Å; L715-V761 HydrophobicContact CD2-CG2 4.49Å; L715-V761 VanDerWaalsContact O-CG2 3.22Å; L715-V761 WeakPolarHBondContact O-CG2 3.42Å; T718-V761 HydrophobicContact CG2-CG1 4.11Å; T718-V761 HydrophobicContact CG2-CG2 4.41Å; T728-V761 HydrophobicContact CG2-CG1 3.92Å; V730-V761 HydrophobicContact CG2-CG1 4.45Å; M756-V761 HydrophobicContact CB-CB 4.17Å; M756-V761 HydrophobicContact CE-CG1 4.11Å; M756-V761 HydrophobicContact CG-CB 4.3Å; M756-V761 HydrophobicContact CG-CG1 4.47Å; M756-V761 PolarHBondContact O-N 2.99Å; E759-V761 VanDerWaalsContact C-N 3.26Å; E759-V761 HydrophobicContact CB-CG2 4.34Å; E759-V761 PolarHBondContact O-N 2.93Å; V761-G763 PolarHBondContact O-N 2.83Å
762	K	92.9	Very high	93.3	Very high	156 Å²	156	67.3 Å²	67.3	68%	0.678	34%	0.34	S	S	*	.			trans	-80.6	113.6	167.4	-64.5	-170.2	177.8	-171.8	0	109.2	K760	K760-K762 PolarHBondContact O-N 2.81Å
763	G	92	Very high	93	Very high	34 Å²	34	69.6 Å²	69.6	35%	0.351	35%	0.352	S	S	.	.	S	Bend	trans	-179.4	-172	-177	0	0	0	0	0	112.3	T728 V761	T728-G763 CarbonylContact O-C 3.49Å; T728-G763 WeakPolarHBondContact O-CA 3.44Å; V761-G763 PolarHBondContact O-N 2.83Å
764	F	94.3	Very high	92.7	Very high	130 Å²	130	66.9 Å²	66.9	57%	0.57	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	152.9	176.4	-55.3	-79.5	0	0	0	110.6	L727 T728 I729 V730	L727-F764 HydrophobicContact CD1-CD2 3.8Å; L727-F764 HydrophobicContact CD1-CE2 3.72Å; T728-F764 PolarHBondContact O-N 3.31Å; I729-F764 CarbonylContact C-O 3.57Å; I729-F764 WeakPolarHBondContact CA-O 3.43Å; V730-F764 PolarHBondContact N-O 2.79Å
765	C	94.9	Very high	92.6	Very high	27 Å²	27	61.7 Å²	61.7	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.1	170.1	-171.2	0	0	0	0	109.4	V730 E749 I752 M756	V730-C765 WeakPolarHBondContact O-CA 3.35Å; E749-C765 HydrophobicContact CG-CB 4.05Å; I752-C765 HydrophobicContact CG2-CB 4.47Å; I752-C765 WeakPolarHBondContact CG2-SG 3.14Å; M756-C765 HydrophobicContact SD-CB 4.16Å
766	Q	94.5	Very high	92.6	Very high	58 Å²	58	59.8 Å²	59.8	27%	0.271	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	107	177	-171.6	175.7	-3.3	0	0	109.3	I729 V730 G731 S732 L780	I729-Q766 HydrophobicContact CG2-CB 4.28Å; V730-Q766 PolarHBondContact O-N 3.49Å; G731-Q766 WeakPolarHBondContact CA-O 3.47Å; S732-Q766 PolarHBondContact N-O 2.99Å; Q766-L780 HydrophobicContact CB-CD2 4.38Å; Q766-L780 HydrophobicContact CG-CD2 3.77Å
767	V	93.7	Very high	92.5	Very high	29 Å²	29	60.6 Å²	60.6	18%	0.176	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.3	176.4	-177.6	0	0	0	0	109.3	S732 L734 A745 A748 E749 I752	S732-V767 WeakPolarHBondContact O-CA 3.22Å; L734-V767 HydrophobicContact CD1-CG1 4.04Å; L734-V767 HydrophobicContact CG-CG1 4.08Å; A745-V767 HydrophobicContact CB-CG1 3.99Å; A748-V767 HydrophobicContact CB-CG1 4.46Å; E749-V767 HydrophobicContact CB-CG2 3.88Å; E749-V767 HydrophobicContact CG-CG2 4.06Å; I752-V767 HydrophobicContact CD1-CG2 3.93Å
768	V	93.9	Very high	92.5	Very high	37 Å²	37	54.5 Å²	54.5	22%	0.224	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.2	179.8	173.8	0	0	0	0	109.6	S732 V733 L734 L780	S732-V768 PolarHBondContact O-N 3.29Å; V733-V768 CarbonylContact C-O 3.52Å; V733-V768 VanDerWaalsContact CA-O 3.3Å; V733-V768 WeakPolarHBondContact CA-O 3.24Å; L734-V768 PolarHBondContact N-O 2.84Å; V768-L780 HydrophobicContact CG2-CD2 3.65Å; V768-L780 HydrophobicContact CG2-CG 4.11Å
769	I	94.2	Very high	92.6	Very high	25 Å²	25	56.6 Å²	56.6	13%	0.128	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.5	168.8	-56.8	170.5	0	0	0	108	L734 G736 F738 N741 A745	L734-I769 HydrophobicContact CB-CG1 4.49Å; L734-I769 WeakPolarHBondContact O-CA 3.49Å; G736-I769 WeakPolarHBondContact O-CG2 3.5Å; F738-I769 HydrophobicContact CD2-CB 4.41Å; F738-I769 HydrophobicContact CD2-CD1 3.91Å; F738-I769 HydrophobicContact CG-CD1 4.47Å; N741-I769 HydrophobicContact CB-CD1 4.02Å; N741-I769 HydrophobicContact CB-CG2 4.47Å; A745-I769 HydrophobicContact CB-CD1 3.75Å; A745-I769 HydrophobicContact CB-CG1 3.87Å
770	S	93.6	Very high	92.7	Very high	16 Å²	16	54.8 Å²	54.8	11%	0.112	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	144.6	178.3	-179.7	0	0	0	0	111	L734 E735 G736 N772	L734-S770 PolarHBondContact O-N 3.22Å; E735-S770 CarbonylContact C-O 3.59Å; E735-S770 VanDerWaalsContact CA-O 3.31Å; E735-S770 WeakPolarHBondContact CA-O 3.34Å; G736-S770 PolarHBondContact N-O 3.2Å; G736-S770 CarbonylContact O-C 3.57Å; S770-N772 WeakPolarHBondContact CB-O 3.39Å; S770-N772 PolarHBondContact O-N 2.91Å; S770-N772 PolarHBondContact OG-N 3.35Å; S770-N772 PolarHBondContact OG-O 3.44Å
771	S	90.8	Very high	92.8	Very high	103 Å²	103	47.7 Å²	47.7	72%	0.72	25%	0.254	S	S	*	.	S	Bend	trans	-68.6	-11.6	172.1	53.9	0	0	0	0	113.6	G736	G736-S771 PolarHBondContact O-N 2.87Å
772	N	90.3	Very high	92.7	Very high	49 Å²	49	54.1 Å²	54.1	26%	0.262	28%	0.283	S	S	.	.	S	Bend	trans	-140.2	126.4	174.2	177.5	5.4	0	0	0	109.7	S770 R774 D775 G776	S770-N772 WeakPolarHBondContact CB-O 3.39Å; S770-N772 PolarHBondContact O-N 2.91Å; S770-N772 PolarHBondContact OG-N 3.35Å; S770-N772 PolarHBondContact OG-O 3.44Å; N772-R774 VanDerWaalsContact C-N 3.28Å; N772-R774 PolarHBondContact O-N 3.22Å; N772-R774 PolarHBondContact OD1-N 2.79Å; N772-D775 HydrophobicContact CB-CB 4.42Å; N772-D775 WeakPolarHBondContact CB-OD2 3.37Å; N772-D775 PolarHBondContact ND2-OD1 3.43Å; N772-D775 PolarHBondContact ND2-OD2 3.3Å; N772-D775 PolarHBondContact O-N 2.85Å; N772-G776 PolarHBondContact O-N 2.76Å; N772-G776 VanDerWaalsContact O-N 3.15Å
773	L	87.6	Confident	92.6	Very high	48 Å²	48	50.2 Å²	50.2	25%	0.251	28%	0.275	S	S	.	.	H	α-helix	trans	-56.2	-40.2	177.8	-173	71.2	0	0	0	112.5	V733 V777	V733-L773 HydrophobicContact CB-CD1 3.9Å; V733-L773 HydrophobicContact CG1-CD1 3.94Å; L773-V777 WeakPolarHBondContact O-CG2 3.4Å; L773-V777 PolarHBondContact O-N 2.77Å; L773-V777 VanDerWaalsContact O-N 3.07Å
774	R	89.7	Confident	92.5	Very high	69 Å²	69	48.7 Å²	48.7	26%	0.26	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-52.9	-179.8	176.5	179.5	171.9	-85.6	0.1	111.3	N772 G776 V777 S778 E816	N772-R774 VanDerWaalsContact C-N 3.28Å; N772-R774 PolarHBondContact O-N 3.22Å; N772-R774 PolarHBondContact OD1-N 2.79Å; R774-G776 VanDerWaalsContact C-N 3.31Å; R774-G776 PolarHBondContact O-N 2.74Å; R774-V777 PolarHBondContact O-N 2.88Å; R774-V777 VanDerWaalsContact O-N 3.15Å; R774-S778 PolarHBondContact O-N 3.2Å; R774-E816 IonicContact CZ-OE2 2.91Å; R774-E816 IonicContact NE-OE2 3.66Å; R774-E816 PolarHBondContact NE-OE2 2.99Å; R774-E816 IonicContact NH2-OE2 3.47Å; R774-E816 PolarHBondContact NH2-OE2 2.8Å
775	D	91.7	Very high	92.2	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-71.1	-32.3	-172.2	-50.9	-28.4	0	0	0	110.7	N772 S778 H779	N772-D775 HydrophobicContact CB-CB 4.42Å; N772-D775 WeakPolarHBondContact CB-OD2 3.37Å; N772-D775 PolarHBondContact ND2-OD1 3.43Å; N772-D775 PolarHBondContact ND2-OD2 3.3Å; N772-D775 PolarHBondContact O-N 2.85Å; D775-S778 WeakPolarHBondContact O-CB 3.43Å; D775-S778 PolarHBondContact O-N 3.44Å; D775-H779 PolarHBondContact O-N 3.29Å; D775-H779 PolarHBondContact O-ND1 3.02Å; D775-H779 VanDerWaalsContact O-ND1 3.13Å
776	G	92.7	Very high	91.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.3	-38.6	170.4	0	0	0	0	0	113.7	N772 R774 L780	N772-G776 PolarHBondContact O-N 2.76Å; N772-G776 VanDerWaalsContact O-N 3.15Å; R774-G776 VanDerWaalsContact C-N 3.31Å; R774-G776 PolarHBondContact O-N 2.74Å; G776-L780 PolarHBondContact O-N 3.05Å; G776-L780 VanDerWaalsContact O-N 3.12Å
777	V	92.6	Very high	91.3	Very high	25 Å²	25	47.4 Å²	47.4	15%	0.152	27%	0.274	C	S	.	.	H	α-helix	trans	-67.8	-43.9	173.7	166.3	0	0	0	0	110.7	L700 V733 L773 R774 H779 L780 I781 L817	L700-V777 HydrophobicContact CD1-CG1 4.01Å; V733-V777 HydrophobicContact CB-CG2 4.41Å; V733-V777 HydrophobicContact CG2-CG2 3.78Å; L773-V777 WeakPolarHBondContact O-CG2 3.4Å; L773-V777 PolarHBondContact O-N 2.77Å; L773-V777 VanDerWaalsContact O-N 3.07Å; R774-V777 PolarHBondContact O-N 2.88Å; R774-V777 VanDerWaalsContact O-N 3.15Å; V777-H779 VanDerWaalsContact C-N 3.31Å; V777-H779 PolarHBondContact O-N 3.46Å; V777-L780 PolarHBondContact O-N 3.38Å; V777-L780 VanDerWaalsContact O-N 3.13Å; V777-I781 HydrophobicContact CG1-CD1 3.99Å; V777-I781 WeakPolarHBondContact O-CG1 3.47Å; V777-I781 PolarHBondContact O-N 2.77Å; V777-I781 VanDerWaalsContact O-N 3.11Å; V777-L817 HydrophobicContact CG1-CD1 3.89Å
778	S	93.9	Very high	90.7	Very high	12 Å²	12	48 Å²	48	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-56.7	-44	175.5	-161.6	0	0	0	0	111.7	R774 D775 I781 Q782 E820	R774-S778 PolarHBondContact O-N 3.2Å; D775-S778 WeakPolarHBondContact O-CB 3.43Å; D775-S778 PolarHBondContact O-N 3.44Å; S778-I781 PolarHBondContact O-N 3.32Å; S778-Q782 WeakPolarHBondContact O-CG 3.47Å; S778-Q782 PolarHBondContact O-N 2.92Å; S778-Q782 VanDerWaalsContact O-N 3.12Å; S778-Q782 PolarHBondContact O-NE2 3.49Å; S778-Q782 PolarHBondContact OG-NE2 3.44Å; S778-E820 VanDerWaalsContact CB-OE1 3.24Å; S778-E820 WeakPolarHBondContact CB-OE1 3.44Å; S778-E820 WeakPolarHBondContact CB-OE2 3.43Å; S778-E820 PolarHBondContact OG-OE1 2.96Å; S778-E820 PolarHBondContact OG-OE2 2.82Å
779	H	94	Very high	90.4	Very high	107 Å²	107	49.6 Å²	49.6	50%	0.495	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-39.6	174.9	-63.8	150.5	0	0	0	113.1	D775 V777 I781 Q782 S783	D775-H779 PolarHBondContact O-N 3.29Å; D775-H779 PolarHBondContact O-ND1 3.02Å; D775-H779 VanDerWaalsContact O-ND1 3.13Å; V777-H779 VanDerWaalsContact C-N 3.31Å; V777-H779 PolarHBondContact O-N 3.46Å; H779-I781 VanDerWaalsContact C-N 3.34Å; H779-I781 PolarHBondContact O-N 2.83Å; H779-Q782 PolarHBondContact O-N 3.18Å; H779-S783 WeakPolarHBondContact O-CB 3.43Å; H779-S783 PolarHBondContact O-N 2.93Å; H779-S783 PolarHBondContact O-OG 3.46Å
780	L	93.6	Very high	90.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-40.2	176	-80.4	177.7	0	0	0	112.5	L698 L700 V733 Q766 V768 G776 V777 G784	L698-L780 HydrophobicContact CD2-CB 4.44Å; L700-L780 HydrophobicContact CD2-CD1 4.12Å; V733-L780 HydrophobicContact CG2-CD1 3.47Å; V733-L780 VanDerWaalsContact CG2-CD1 3.47Å; V733-L780 HydrophobicContact CG2-CG 4.31Å; Q766-L780 HydrophobicContact CB-CD2 4.38Å; Q766-L780 HydrophobicContact CG-CD2 3.77Å; V768-L780 HydrophobicContact CG2-CD2 3.65Å; V768-L780 HydrophobicContact CG2-CG 4.11Å; G776-L780 PolarHBondContact O-N 3.05Å; G776-L780 VanDerWaalsContact O-N 3.12Å; V777-L780 PolarHBondContact O-N 3.38Å; V777-L780 VanDerWaalsContact O-N 3.13Å; L780-G784 WeakPolarHBondContact O-CA 3.48Å; L780-G784 PolarHBondContact O-N 3.33Å
781	I	93.9	Very high	90.2	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.051	31%	0.311	C	S	.	.	H	α-helix	trans	-66.2	-40.1	177.3	-62.1	162.4	0	0	0	110.7	L698 V777 S778 H779 H791 V794 L817 E820 L826	L698-I781 HydrophobicContact CD2-CG1 4.4Å; V777-I781 HydrophobicContact CG1-CD1 3.99Å; V777-I781 WeakPolarHBondContact O-CG1 3.47Å; V777-I781 PolarHBondContact O-N 2.77Å; V777-I781 VanDerWaalsContact O-N 3.11Å; S778-I781 PolarHBondContact O-N 3.32Å; H779-I781 VanDerWaalsContact C-N 3.34Å; H779-I781 PolarHBondContact O-N 2.83Å; I781-H791 PolarHBondContact O-CE1 3.08Å; I781-H791 PolarHBondContact O-NE2 3.45Å; I781-V794 HydrophobicContact CG1-CG2 4.46Å; I781-L817 HydrophobicContact CD1-CD1 3.47Å; I781-L817 VanDerWaalsContact CD1-CD1 3.47Å; I781-L817 HydrophobicContact CG1-CD1 4.47Å; I781-E820 HydrophobicContact CD1-CB 4.32Å; I781-L826 HydrophobicContact CG2-CD1 3.48Å; I781-L826 VanDerWaalsContact CG2-CD1 3.48Å
782	Q	91.3	Very high	90.2	Very high	147 Å²	147	51 Å²	51	69%	0.687	29%	0.287	S	S	*	.	H	α-helix	trans	-81	-24.4	-177	-67.3	174.7	58.2	0	0	114	S778 H779	S778-Q782 WeakPolarHBondContact O-CG 3.47Å; S778-Q782 PolarHBondContact O-N 2.92Å; S778-Q782 VanDerWaalsContact O-N 3.12Å; S778-Q782 PolarHBondContact O-NE2 3.49Å; S778-Q782 PolarHBondContact OG-NE2 3.44Å; H779-Q782 PolarHBondContact O-N 3.18Å
783	S	91.4	Very high	90.4	Very high	73 Å²	73	48.6 Å²	48.6	51%	0.51	28%	0.275	S	S	.	.	H	α-helix	trans	-122.4	2.3	-172.6	68.5	0	0	0	0	115.7	H779 G785	H779-S783 WeakPolarHBondContact O-CB 3.43Å; H779-S783 PolarHBondContact O-N 2.93Å; H779-S783 PolarHBondContact O-OG 3.46Å; S783-G785 PolarHBondContact O-N 2.81Å
784	G	88.9	Confident	90.8	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.031	26%	0.263	C	S	.	.			trans	-71.9	83.2	-177.4	0	0	0	0	0	114.6	I729 L780 H791	I729-G784 WeakPolarHBondContact CD1-O 3.44Å; L780-G784 WeakPolarHBondContact O-CA 3.48Å; L780-G784 PolarHBondContact O-N 3.33Å; G784-H791 PolarHBondContact O-ND1 3.3Å
785	G	88.4	Confident	91.1	Very high	37 Å²	37	43.1 Å²	43.1	38%	0.381	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-166.9	174.4	0	0	0	0	0	113.4	S783 L789	S783-G785 PolarHBondContact O-N 2.81Å; G785-L789 VanDerWaalsContact CA-O 3.31Å; G785-L789 WeakPolarHBondContact CA-O 3.35Å
786	L	88.4	Confident	91.2	Very high	121 Å²	121	41.2 Å²	41.2	63%	0.634	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.1	123.8	172.1	-177.1	60.6	0	0	0	111.1	L680 G788 L789	L680-L786 HydrophobicContact CD1-CD2 3.77Å; L680-L786 HydrophobicContact CD1-CG 4.21Å; L786-G788 PolarHBondContact O-N 3.43Å; L786-L789 PolarHBondContact N-O 3.39Å; L786-L789 WeakPolarHBondContact O-CB 3.26Å; L786-L789 PolarHBondContact O-N 3.1Å
787	G	82.7	Confident	91.2	Very high	30 Å²	30	42.1 Å²	42.1	31%	0.309	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-132.4	-176.8	0	0	0	0	0	111.4	L789 Q790	G787-L789 PolarHBondContact O-N 3.34Å; G787-Q790 WeakPolarHBondContact O-CG 3.32Å; G787-Q790 PolarHBondContact O-NE2 2.95Å
788	G	80.3	Confident	91.1	Very high	42 Å²	42	41.8 Å²	41.8	43%	0.433	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.5	173.3	0	0	0	0	0	115.9	L786 Q790	L786-G788 PolarHBondContact O-N 3.43Å; G788-Q790 PolarHBondContact O-N 2.94Å
789	L	88.3	Confident	90.8	Very high	69 Å²	69	42 Å²	42	36%	0.361	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	78.4	178.2	-172	65.9	0	0	0	110.4	L680 L727 G785 L786 G787	L680-L789 HydrophobicContact CD2-CB 3.55Å; L680-L789 HydrophobicContact CD2-CD2 4.12Å; L680-L789 HydrophobicContact CD2-CG 4.48Å; L727-L789 HydrophobicContact CB-CD1 4.27Å; L727-L789 HydrophobicContact CD1-CD1 4.22Å; L727-L789 HydrophobicContact CD1-CD2 4.43Å; L727-L789 HydrophobicContact CD1-CG 4.16Å; L727-L789 HydrophobicContact CD2-CD1 4.02Å; L727-L789 HydrophobicContact CD2-CG 4.06Å; L727-L789 HydrophobicContact CG-CD1 4.41Å; G785-L789 VanDerWaalsContact CA-O 3.31Å; G785-L789 WeakPolarHBondContact CA-O 3.35Å; L786-L789 PolarHBondContact N-O 3.39Å; L786-L789 WeakPolarHBondContact O-CB 3.26Å; L786-L789 PolarHBondContact O-N 3.1Å; G787-L789 PolarHBondContact O-N 3.34Å
790	Q	89.7	Confident	90.1	Very high	120 Å²	120	42.5 Å²	42.5	56%	0.561	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	159.1	-178.1	-63.4	176.6	14.9	0	0	112.1	L727 G787 G788	L727-Q790 VanDerWaalsContact CD2-C 3.47Å; L727-Q790 WeakPolarHBondContact CD2-O 3.47Å; G787-Q790 WeakPolarHBondContact O-CG 3.32Å; G787-Q790 PolarHBondContact O-NE2 2.95Å; G788-Q790 PolarHBondContact O-N 2.94Å
791	H	93.2	Very high	89.3	Confident	12 Å²	12	47.2 Å²	47.2	6%	0.056	27%	0.27	C	S	.	.			trans	-72.6	154.5	167	71	-80.2	0	0	0	110.8	L698 I781 G784	L698-H791 HydrophobicContact CB-CB 3.9Å; L698-H791 WeakPolarHBondContact CB-CD2 3.34Å; L698-H791 WeakPolarHBondContact CD2-NE2 3.43Å; I781-H791 PolarHBondContact O-CE1 3.08Å; I781-H791 PolarHBondContact O-NE2 3.45Å; G784-H791 PolarHBondContact O-ND1 3.3Å
792	N	91.8	Very high	88.7	Confident	41 Å²	41	47.3 Å²	47.3	22%	0.219	27%	0.27	C	S	.	.			trans	-130	-0.4	174.6	70.7	7.7	0	0	0	112.9	W693 R694 Q696 A827	W693-N792 PolarHBondContact NE1-ND2 3.36Å; R694-N792 PolarHBondContact O-ND2 3.02Å; Q696-N792 PolarHBondContact N-OD1 2.99Å; Q696-N792 PolarHBondContact O-N 2.85Å; Q696-N792 PolarHBondContact O-OD1 3.16Å; N792-A827 PolarHBondContact O-N 2.96Å
793	T	93.9	Very high	88.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	126.3	-175.8	-52.4	0	0	0	0	108.6	W693 Q696 L697 L698 A827 L829	W693-T793 VanDerWaalsContact CZ2-OG1 3.3Å; W693-T793 WeakPolarHBondContact CZ2-OG1 3.46Å; Q696-T793 PolarHBondContact O-N 3.13Å; L697-T793 CarbonylContact C-O 3.51Å; L697-T793 WeakPolarHBondContact CA-O 3.3Å; L697-T793 HydrophobicContact CD2-CG2 3.69Å; L698-T793 PolarHBondContact N-O 3.35Å; T793-A827 CarbonylContact C-O 3.55Å; T793-A827 VanDerWaalsContact CA-O 3.27Å; T793-A827 WeakPolarHBondContact CA-O 3.31Å; T793-A827 HydrophobicContact CG2-CB 4.1Å; T793-L829 HydrophobicContact CG2-CD1 3.67Å; T793-L829 HydrophobicContact CG2-CG 3.72Å
794	V	96.3	Very high	87.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.8	171.1	-178.5	0	0	0	0	109.1	L698 L700 I781 L817 T821 L826 A827 L828 L829	L698-V794 CarbonylContact O-C 3.53Å; L698-V794 WeakPolarHBondContact O-CA 3.3Å; L700-V794 HydrophobicContact CD1-CG1 3.73Å; L700-V794 HydrophobicContact CG-CG1 4.12Å; I781-V794 HydrophobicContact CG1-CG2 4.46Å; V794-L817 HydrophobicContact CG1-CD1 4.34Å; V794-T821 HydrophobicContact CB-CG2 3.94Å; V794-T821 HydrophobicContact CG2-CG2 3.71Å; V794-L826 HydrophobicContact CG2-CD1 4.17Å; V794-A827 PolarHBondContact N-O 3.05Å; V794-L828 HydrophobicContact CB-CD1 4Å; V794-L828 HydrophobicContact CG1-CD1 4.13Å; V794-L829 PolarHBondContact O-N 3.38Å
795	L	95.8	Very high	86	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.7	175.9	173.4	61.6	0	0	0	109.7	L697 L698 V699 L700 L714 T718 L829 T831	L697-L795 HydrophobicContact CD1-CD2 4.45Å; L698-L795 PolarHBondContact O-N 3.14Å; V699-L795 WeakPolarHBondContact CA-O 3.43Å; V699-L795 HydrophobicContact CG1-CD2 4.19Å; V699-L795 HydrophobicContact CG1-CG 4.35Å; V699-L795 HydrophobicContact CG2-CB 4.45Å; V699-L795 HydrophobicContact CG2-CD2 4.2Å; L700-L795 PolarHBondContact N-O 3.49Å; L714-L795 HydrophobicContact CD1-CD1 4.06Å; L714-L795 HydrophobicContact CD1-CD2 4.19Å; L714-L795 HydrophobicContact CD1-CG 3.93Å; L714-L795 HydrophobicContact CG-CG 4.45Å; T718-L795 WeakPolarHBondContact OG1-CD2 3.22Å; L795-L829 WeakPolarHBondContact CA-O 3.17Å; L795-L829 HydrophobicContact CD1-CB 3.75Å; L795-T831 HydrophobicContact CD1-CG2 3.91Å
796	V	94.3	Very high	84.7	Confident	16 Å²	16	64.3 Å²	64.3	10%	0.097	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	156.3	-176.4	69.7	0	0	0	0	112	L700 F814 L817 L828 L829 V830 T831	L700-V796 HydrophobicContact CB-CG2 4.26Å; V796-F814 HydrophobicContact CG1-CE2 4.19Å; V796-L817 HydrophobicContact CB-CD2 4.29Å; V796-L817 HydrophobicContact CG1-CD2 4.07Å; V796-L817 HydrophobicContact CG2-CD2 3.91Å; V796-L828 HydrophobicContact CG1-CD1 4.22Å; V796-L829 PolarHBondContact N-O 3.03Å; V796-V830 HydrophobicContact CG1-CB 4.34Å; V796-V830 HydrophobicContact CG1-CG1 4.18Å; V796-V830 HydrophobicContact CG1-CG2 3.85Å; V796-V830 WeakPolarHBondContact O-CA 3.22Å; V796-T831 PolarHBondContact O-N 3.19Å; V796-T831 PolarHBondContact O-OG1 3.08Å
797	G	92.1	Very high	83.4	Confident	18 Å²	18	61.8 Å²	61.8	19%	0.186	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	147.7	171.2	0	0	0	0	0	112.8
798	W	90.8	Very high	82.9	Confident	19 Å²	19	64.3 Å²	64.3	7%	0.072	31%	0.313	C	S	.	.			trans	-60.8	136.1	174.3	-173.9	-109.5	0	0	0	111.8	R800 W802 F814 V830 T831 K832 M1105 L1108 E1109 L1120	W798-R800 PolarHBondContact O-N 3.42Å; W798-R800 VanDerWaalsContact O-N 3.15Å; W798-W802 AromaticContact CZ2-NE1 3.97Å; W798-F814 HydrophobicContact CE3-CE1 4.22Å; W798-F814 AromaticContact CE3-CZ 3.98Å; W798-F814 HydrophobicContact CE3-CZ 3.98Å; W798-F814 HydrophobicContact CH2-CE1 4.42Å; W798-F814 AromaticContact CZ3-CE1 3.72Å; W798-F814 HydrophobicContact CZ3-CE1 3.72Å; W798-F814 AromaticContact CZ3-CZ 3.82Å; W798-F814 HydrophobicContact CZ3-CZ 3.82Å; W798-V830 HydrophobicContact CE3-CG1 3.96Å; W798-T831 WeakPolarHBondContact CB-O 3.16Å; W798-T831 PolarHBondContact N-O 3.14Å; W798-K832 HydrophobicContact CB-CB 4.3Å; W798-K832 HydrophobicContact CB-CG 4.19Å; W798-K832 HydrophobicContact CG-CG 3.97Å; W798-M1105 HydrophobicContact CH2-CE 3.5Å; W798-M1105 HydrophobicContact CH2-SD 4.01Å; W798-M1105 HydrophobicContact CZ2-CE 3.53Å; W798-M1105 HydrophobicContact CZ3-CE 4.27Å; W798-L1108 HydrophobicContact CH2-CB 3.67Å; W798-L1108 HydrophobicContact CH2-CD1 3.99Å; W798-L1108 HydrophobicContact CZ3-CB 4.32Å; W798-L1108 HydrophobicContact CZ3-CD1 4.04Å; W798-E1109 WeakPolarHBondContact CZ2-OE2 3.5Å; W798-E1109 PolarHBondContact NE1-OE2 3.46Å; W798-L1120 HydrophobicContact CZ3-CD1 4.42Å
799	P	88.6	Confident	82.7	Confident	15 Å²	15	67.3 Å²	67.3	10%	0.097	32%	0.316	C	S	.	.			trans	-65.2	113.3	174.3	27.3	-34.5	0	0	0	110.6	F814 M1105	P799-F814 HydrophobicContact CG-CB 4.2Å; P799-F814 HydrophobicContact CG-CD1 4.11Å; P799-F814 HydrophobicContact CG-CD2 4.44Å; P799-F814 HydrophobicContact CG-CG 3.99Å; P799-M1105 HydrophobicContact CG-CE 3.9Å
800	R	78.1	Confident	82.3	Confident	118 Å²	118	65.6 Å²	65.6	45%	0.445	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	154.8	173	-64.1	-177	-176.7	-134.2	-11	110.7	H711 W798 W802 S835	H711-R800 PolarHBondContact CE1-NE 2.85Å; H711-R800 VanDerWaalsContact CE1-NE 3.33Å; H711-R800 PolarHBondContact NE2-NE 3.15Å; W798-R800 PolarHBondContact O-N 3.42Å; W798-R800 VanDerWaalsContact O-N 3.15Å; R800-W802 PolarHBondContact O-N 3.43Å; R800-S835 VanDerWaalsContact NH2-CB 3.31Å; R800-S835 PolarHBondContact NH2-OG 2.93Å
801	N	76.8	Confident	82.1	Confident	99 Å²	99	60.4 Å²	60.4	53%	0.529	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	13.1	169.6	-62.8	6.9	0	0	0	116.6	R803 Q804	N801-R803 PolarHBondContact O-N 3.4Å; N801-Q804 HydrophobicContact CB-CG 4.26Å; N801-Q804 VanDerWaalsContact O-CB 3.29Å; N801-Q804 WeakPolarHBondContact O-CB 3.38Å; N801-Q804 WeakPolarHBondContact O-CG 3.42Å; N801-Q804 PolarHBondContact O-N 2.93Å
802	W	82.3	Confident	81.8	Confident	13 Å²	13	65.6 Å²	65.6	5%	0.049	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.7	-171.5	71	-93.6	0	0	0	115.8	W798 R800 Q804 W811 M1105 E1106 E1109	W798-W802 AromaticContact CZ2-NE1 3.97Å; R800-W802 PolarHBondContact O-N 3.43Å; W802-Q804 PolarHBondContact O-N 3.15Å; W802-W811 HydrophobicContact CB-CB 3.94Å; W802-W811 HydrophobicContact CB-CG 4.35Å; W802-W811 HydrophobicContact CE3-CG 4.24Å; W802-M1105 HydrophobicContact CD2-CB 4.33Å; W802-M1105 HydrophobicContact CD2-CE 3.86Å; W802-M1105 HydrophobicContact CE3-CB 4.07Å; W802-M1105 HydrophobicContact CE3-CE 4.48Å; W802-M1105 HydrophobicContact CG-CE 3.92Å; W802-M1105 HydrophobicContact CH2-CB 3.45Å; W802-M1105 VanDerWaalsContact CH2-CB 3.45Å; W802-M1105 HydrophobicContact CZ2-CB 3.73Å; W802-M1105 HydrophobicContact CZ2-CE 4.48Å; W802-M1105 HydrophobicContact CZ3-CB 3.64Å; W802-E1106 HydrophobicContact CH2-CG 3.88Å; W802-E1106 WeakPolarHBondContact CH2-OE1 3.44Å; W802-E1109 HydrophobicContact CZ2-CB 3.97Å; W802-E1109 HydrophobicContact CZ2-CG 4.23Å; W802-E1109 PolarHBondContact NE1-OE2 2.93Å
803	R	79.3	Confident	81.6	Confident	122 Å²	122	64.9 Å²	64.9	46%	0.46	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-5.1	171	-71.7	178.8	170.3	152.9	-5.4	113.9	N801 E1106	N801-R803 PolarHBondContact O-N 3.4Å; R803-E1106 IonicContact CZ-OE1 3.52Å; R803-E1106 IonicContact CZ-OE2 2.65Å; R803-E1106 IonicContact NE-OE1 3.54Å; R803-E1106 PolarHBondContact NE-OE1 2.89Å; R803-E1106 IonicContact NE-OE2 3.55Å; R803-E1106 IonicContact NH2-OE1 2.69Å; R803-E1106 IonicContact NH2-OE2 3.61Å; R803-E1106 PolarHBondContact NH2-OE2 2.83Å
804	Q	78.4	Confident	81.5	Confident	110 Å²	110	65.5 Å²	65.5	51%	0.514	30%	0.301	S	S	.	.	S	Bend	trans	-82.2	132.6	176.4	-66.2	-178.9	-4.9	0	0	110.7	N801 W802 E806 D807	N801-Q804 HydrophobicContact CB-CG 4.26Å; N801-Q804 VanDerWaalsContact O-CB 3.29Å; N801-Q804 WeakPolarHBondContact O-CB 3.38Å; N801-Q804 WeakPolarHBondContact O-CG 3.42Å; N801-Q804 PolarHBondContact O-N 2.93Å; W802-Q804 PolarHBondContact O-N 3.15Å; Q804-E806 PolarHBondContact O-N 2.92Å; Q804-E806 VanDerWaalsContact O-N 3.09Å; Q804-D807 PolarHBondContact O-N 3Å; Q804-D807 VanDerWaalsContact O-N 3.17Å
805	K	57	Low	81.3	Confident	187 Å²	187	65.5 Å²	65.5	81%	0.813	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.6	-166.2	-72.4	-175.9	174.4	180	0	115.7	H808	K805-H808 PolarHBondContact O-CD2 3.06Å; K805-H808 VanDerWaalsContact O-CD2 3.28Å
806	E	60.2	Low	81	Confident	198 Å²	198	66.2 Å²	66.2	93%	0.925	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-22.7	-177.4	-66	172	-175.5	0	0	111.8	Q804 H808	Q804-E806 PolarHBondContact O-N 2.92Å; Q804-E806 VanDerWaalsContact O-N 3.09Å; E806-H808 PolarHBondContact O-N 2.76Å
807	D	62.6	Low	80.9	Confident	67 Å²	67	66 Å²	66	36%	0.358	30%	0.303	S	S	.	.			trans	-96.9	20.4	-166	-112.6	-27	0	0	0	114.5	Q804 Q809 T810	Q804-D807 PolarHBondContact O-N 3Å; Q804-D807 VanDerWaalsContact O-N 3.17Å; D807-Q809 PolarHBondContact O-N 3.43Å; D807-T810 HydrophobicContact CB-CG2 4.37Å; D807-T810 PolarHBondContact O-N 2.96Å; D807-T810 PolarHBondContact O-OG1 2.74Å; D807-T810 WeakPolarHBondContact OD1-CG2 3.12Å
808	H	71.8	Confident	81	Confident	84 Å²	84	65.1 Å²	65.1	39%	0.389	29%	0.294	S	S	.	.	H	α-helix	trans	-54.4	-22	-172.2	-90.8	-137	0	0	0	115.5	K805 E806 R812	K805-H808 PolarHBondContact O-CD2 3.06Å; K805-H808 VanDerWaalsContact O-CD2 3.28Å; E806-H808 PolarHBondContact O-N 2.76Å; H808-R812 VanDerWaalsContact O-CD 3.28Å; H808-R812 WeakPolarHBondContact O-CD 3.36Å; H808-R812 WeakPolarHBondContact O-CG 3.45Å
809	Q	76.2	Confident	81	Confident	105 Å²	105	66.3 Å²	66.3	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-79.6	-28.4	177.4	-167.5	60.2	31.4	0	0	112.9	D807 R812 N813	D807-Q809 PolarHBondContact O-N 3.43Å; Q809-R812 PolarHBondContact O-N 3.27Å; Q809-N813 PolarHBondContact NE2-OD1 3.42Å; Q809-N813 WeakPolarHBondContact O-CB 3.13Å; Q809-N813 VanDerWaalsContact O-CG 3.23Å; Q809-N813 PolarHBondContact O-N 2.86Å; Q809-N813 PolarHBondContact O-OD1 3.14Å
810	T	79.9	Confident	81.2	Confident	33 Å²	33	67.2 Å²	67.2	20%	0.202	30%	0.301	C	S	.	.	H	α-helix	trans	-68.7	-47.3	-170.5	61.8	0	0	0	0	112.8	D807 N813 F814	D807-T810 HydrophobicContact CB-CG2 4.37Å; D807-T810 PolarHBondContact O-N 2.96Å; D807-T810 PolarHBondContact O-OG1 2.74Å; D807-T810 WeakPolarHBondContact OD1-CG2 3.12Å; T810-N813 PolarHBondContact O-N 3.03Å; T810-F814 PolarHBondContact O-N 2.74Å; T810-F814 VanDerWaalsContact O-N 3.08Å
811	W	84.3	Confident	81.9	Confident	10 Å²	10	61.6 Å²	61.6	4%	0.038	28%	0.28	C	S	.	.	H	α-helix	trans	-74.2	-28.8	178.7	62.9	-99.6	0	0	0	112.7	W802 F814 I815 D1101 E1102 M1105	W802-W811 HydrophobicContact CB-CB 3.94Å; W802-W811 HydrophobicContact CB-CG 4.35Å; W802-W811 HydrophobicContact CE3-CG 4.24Å; W811-F814 WeakPolarHBondContact O-CB 3.42Å; W811-F814 PolarHBondContact O-N 2.88Å; W811-I815 HydrophobicContact CE3-CD1 3.63Å; W811-I815 HydrophobicContact CZ3-CD1 3.79Å; W811-I815 WeakPolarHBondContact O-CG1 3.48Å; W811-I815 PolarHBondContact O-N 3.45Å; W811-D1101 HydrophobicContact CZ3-CB 3.9Å; W811-E1102 HydrophobicContact CH2-CB 3.9Å; W811-E1102 HydrophobicContact CH2-CG 4.43Å; W811-E1102 HydrophobicContact CZ3-CB 4.44Å; W811-M1105 HydrophobicContact CB-CE 4.25Å; W811-M1105 HydrophobicContact CB-CG 4.47Å; W811-M1105 HydrophobicContact CE3-CG 4.1Å
812	R	87.1	Confident	82.5	Confident	122 Å²	122	58.8 Å²	58.8	46%	0.46	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-45.1	170.2	-70.7	178.6	175.8	-174.2	-4.4	111.6	H808 Q809 F814 I815 E816	H808-R812 VanDerWaalsContact O-CD 3.28Å; H808-R812 WeakPolarHBondContact O-CD 3.36Å; H808-R812 WeakPolarHBondContact O-CG 3.45Å; Q809-R812 PolarHBondContact O-N 3.27Å; R812-F814 VanDerWaalsContact C-N 3.25Å; R812-F814 PolarHBondContact O-N 2.87Å; R812-I815 PolarHBondContact O-N 3.34Å; R812-E816 WeakPolarHBondContact O-CG 3.44Å; R812-E816 PolarHBondContact O-N 2.92Å
813	N	88.8	Confident	82.8	Confident	26 Å²	26	61.9 Å²	61.9	14%	0.139	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-37.1	172.9	-70.5	-4.6	0	0	0	111.3	Q809 T810 L817	Q809-N813 PolarHBondContact NE2-OD1 3.42Å; Q809-N813 WeakPolarHBondContact O-CB 3.13Å; Q809-N813 VanDerWaalsContact O-CG 3.23Å; Q809-N813 PolarHBondContact O-N 2.86Å; Q809-N813 PolarHBondContact O-OD1 3.14Å; T810-N813 PolarHBondContact O-N 3.03Å; N813-L817 WeakPolarHBondContact O-CB 3.44Å; N813-L817 PolarHBondContact O-N 3.49Å
814	F	91.2	Very high	83.2	Confident	12 Å²	12	58.2 Å²	58.2	5%	0.053	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-42.7	174.7	172.8	-100.4	0	0	0	113.4	V796 W798 P799 T810 W811 R812 L817 V818 V830 M1091 M1105	V796-F814 HydrophobicContact CG1-CE2 4.19Å; W798-F814 HydrophobicContact CE3-CE1 4.22Å; W798-F814 AromaticContact CE3-CZ 3.98Å; W798-F814 HydrophobicContact CE3-CZ 3.98Å; W798-F814 HydrophobicContact CH2-CE1 4.42Å; W798-F814 AromaticContact CZ3-CE1 3.72Å; W798-F814 HydrophobicContact CZ3-CE1 3.72Å; W798-F814 AromaticContact CZ3-CZ 3.82Å; W798-F814 HydrophobicContact CZ3-CZ 3.82Å; P799-F814 HydrophobicContact CG-CB 4.2Å; P799-F814 HydrophobicContact CG-CD1 4.11Å; P799-F814 HydrophobicContact CG-CD2 4.44Å; P799-F814 HydrophobicContact CG-CG 3.99Å; T810-F814 PolarHBondContact O-N 2.74Å; T810-F814 VanDerWaalsContact O-N 3.08Å; W811-F814 WeakPolarHBondContact O-CB 3.42Å; W811-F814 PolarHBondContact O-N 2.88Å; R812-F814 VanDerWaalsContact C-N 3.25Å; R812-F814 PolarHBondContact O-N 2.87Å; F814-L817 HydrophobicContact CD2-CD2 4.19Å; F814-L817 VanDerWaalsContact O-CB 3.32Å; F814-L817 WeakPolarHBondContact O-CB 3.28Å; F814-L817 PolarHBondContact O-N 3.12Å; F814-V818 HydrophobicContact CE1-CG2 4.16Å; F814-V818 HydrophobicContact CE2-CG2 4.4Å; F814-V818 HydrophobicContact CZ-CG2 4.05Å; F814-V818 WeakPolarHBondContact O-CG2 3.49Å; F814-V818 PolarHBondContact O-N 3.01Å; F814-V830 HydrophobicContact CE2-CG1 3.79Å; F814-V830 HydrophobicContact CE2-CG2 4.07Å; F814-V830 HydrophobicContact CZ-CG1 3.84Å; F814-V830 HydrophobicContact CZ-CG2 4.07Å; F814-M1091 HydrophobicContact CZ-CE 4.49Å; F814-M1105 HydrophobicContact CD1-CE 4.27Å; F814-M1105 HydrophobicContact CD1-SD 3.72Å; F814-M1105 HydrophobicContact CE1-CE 4.47Å; F814-M1105 HydrophobicContact CE1-SD 3.88Å
815	I	90.9	Very high	83.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-38.8	176.8	-64.1	169.2	0	0	0	111.3	W811 R812 L817 V818 R819 D1101 Y1104 M1105	W811-I815 HydrophobicContact CE3-CD1 3.63Å; W811-I815 HydrophobicContact CZ3-CD1 3.79Å; W811-I815 WeakPolarHBondContact O-CG1 3.48Å; W811-I815 PolarHBondContact O-N 3.45Å; R812-I815 PolarHBondContact O-N 3.34Å; I815-L817 VanDerWaalsContact C-N 3.34Å; I815-V818 PolarHBondContact O-N 3.42Å; I815-V818 VanDerWaalsContact O-N 3.16Å; I815-R819 WeakPolarHBondContact O-CG 3.35Å; I815-R819 PolarHBondContact O-N 3.02Å; I815-D1101 HydrophobicContact CD1-CB 3.61Å; I815-D1101 VanDerWaalsContact CD1-O 3.3Å; I815-D1101 WeakPolarHBondContact CD1-O 3.31Å; I815-Y1104 HydrophobicContact CG1-CD1 4.37Å; I815-M1105 HydrophobicContact CD1-CG 3.81Å; I815-M1105 HydrophobicContact CD1-SD 4.39Å; I815-M1105 HydrophobicContact CG1-CG 4.24Å; I815-M1105 HydrophobicContact CG1-SD 4.17Å
816	E	90.3	Very high	85.4	Confident	16 Å²	16	49.5 Å²	49.5	8%	0.075	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-40.1	174.3	-67.6	-74.9	127.7	0	0	111	R774 R812 V818 R819 E820 R1098	R774-E816 IonicContact CZ-OE2 2.91Å; R774-E816 IonicContact NE-OE2 3.66Å; R774-E816 PolarHBondContact NE-OE2 2.99Å; R774-E816 IonicContact NH2-OE2 3.47Å; R774-E816 PolarHBondContact NH2-OE2 2.8Å; R812-E816 WeakPolarHBondContact O-CG 3.44Å; R812-E816 PolarHBondContact O-N 2.92Å; E816-V818 VanDerWaalsContact C-N 3.35Å; E816-V818 PolarHBondContact O-N 3.37Å; E816-R819 WeakPolarHBondContact O-CB 3.33Å; E816-R819 PolarHBondContact O-N 3.44Å; E816-R819 VanDerWaalsContact O-N 3.13Å; E816-R819 WeakPolarHBondContact OE1-CD 3.5Å; E816-R819 IonicContact OE1-CZ 3.94Å; E816-R819 IonicContact OE1-NE 2.75Å; E816-R819 IonicContact OE1-NH1 3.73Å; E816-R819 PolarHBondContact OE1-NH1 2.8Å; E816-E820 WeakPolarHBondContact O-CB 3.33Å; E816-E820 VanDerWaalsContact O-CG 3.28Å; E816-E820 WeakPolarHBondContact O-CG 3.33Å; E816-E820 PolarHBondContact O-N 2.73Å; E816-R1098 IonicContact OE1-CZ 3.54Å; E816-R1098 IonicContact OE1-NE 3.61Å; E816-R1098 PolarHBondContact OE1-NE 2.95Å; E816-R1098 IonicContact OE1-NH2 2.64Å; E816-R1098 PolarHBondContact OE1-NH2 3.42Å; E816-R1098 IonicContact OE2-CZ 3.59Å; E816-R1098 IonicContact OE2-NH2 3.93Å; E816-R1098 PolarHBondContact OE2-NH2 2.95Å
817	L	92.9	Very high	86.9	Confident	11 Å²	11	40.1 Å²	40.1	6%	0.058	21%	0.214	C	C	.	.	H	α-helix	trans	-55.2	-44.2	168	162.1	71.6	0	0	0	112.5	L700 V777 I781 V794 V796 N813 F814 I815 E820 T821	L700-L817 HydrophobicContact CD1-CD1 3.63Å; L700-L817 HydrophobicContact CD1-CD2 4.28Å; V777-L817 HydrophobicContact CG1-CD1 3.89Å; I781-L817 HydrophobicContact CD1-CD1 3.47Å; I781-L817 VanDerWaalsContact CD1-CD1 3.47Å; I781-L817 HydrophobicContact CG1-CD1 4.47Å; V794-L817 HydrophobicContact CG1-CD1 4.34Å; V796-L817 HydrophobicContact CB-CD2 4.29Å; V796-L817 HydrophobicContact CG1-CD2 4.07Å; V796-L817 HydrophobicContact CG2-CD2 3.91Å; N813-L817 WeakPolarHBondContact O-CB 3.44Å; N813-L817 PolarHBondContact O-N 3.49Å; F814-L817 HydrophobicContact CD2-CD2 4.19Å; F814-L817 VanDerWaalsContact O-CB 3.32Å; F814-L817 WeakPolarHBondContact O-CB 3.28Å; F814-L817 PolarHBondContact O-N 3.12Å; I815-L817 VanDerWaalsContact C-N 3.34Å; L817-E820 PolarHBondContact O-N 2.96Å; L817-T821 WeakPolarHBondContact O-CB 3.4Å; L817-T821 PolarHBondContact O-N 2.65Å; L817-T821 PolarHBondContact O-OG1 2.78Å
818	V	93	Very high	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-41.7	175.8	-178.4	0	0	0	0	111.2	F814 I815 E816 T822 L828 M1091 P1094	F814-V818 HydrophobicContact CE1-CG2 4.16Å; F814-V818 HydrophobicContact CE2-CG2 4.4Å; F814-V818 HydrophobicContact CZ-CG2 4.05Å; F814-V818 WeakPolarHBondContact O-CG2 3.49Å; F814-V818 PolarHBondContact O-N 3.01Å; I815-V818 PolarHBondContact O-N 3.42Å; I815-V818 VanDerWaalsContact O-N 3.16Å; E816-V818 VanDerWaalsContact C-N 3.35Å; E816-V818 PolarHBondContact O-N 3.37Å; V818-T822 WeakPolarHBondContact O-CB 3.26Å; V818-T822 PolarHBondContact O-N 3.48Å; V818-T822 PolarHBondContact O-OG1 3.19Å; V818-L828 HydrophobicContact CB-CD2 4.17Å; V818-L828 HydrophobicContact CG1-CD2 3.96Å; V818-L828 HydrophobicContact CG2-CD2 3.75Å; V818-M1091 HydrophobicContact CG1-SD 4.27Å; V818-P1094 HydrophobicContact CG1-CG 4.04Å
819	R	91.2	Very high	89.6	Confident	44 Å²	44	33 Å²	33	17%	0.166	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-48.9	176.3	-72.9	176.3	170.1	124.2	9.3	111.9	I815 E816 T822 A823 P1094 P1095 D1101	I815-R819 WeakPolarHBondContact O-CG 3.35Å; I815-R819 PolarHBondContact O-N 3.02Å; E816-R819 WeakPolarHBondContact O-CB 3.33Å; E816-R819 PolarHBondContact O-N 3.44Å; E816-R819 VanDerWaalsContact O-N 3.13Å; E816-R819 WeakPolarHBondContact OE1-CD 3.5Å; E816-R819 IonicContact OE1-CZ 3.94Å; E816-R819 IonicContact OE1-NE 2.75Å; E816-R819 IonicContact OE1-NH1 3.73Å; E816-R819 PolarHBondContact OE1-NH1 2.8Å; R819-T822 PolarHBondContact O-N 3.06Å; R819-A823 WeakPolarHBondContact O-CB 3.49Å; R819-A823 PolarHBondContact O-N 3.27Å; R819-P1094 HydrophobicContact CG-CG 4.23Å; R819-P1095 PolarHBondContact NH2-O 3.35Å; R819-D1101 IonicContact CZ-OD1 3.65Å; R819-D1101 IonicContact CZ-OD2 3.57Å; R819-D1101 IonicContact NH1-OD1 3.33Å; R819-D1101 IonicContact NH1-OD2 2.73Å; R819-D1101 PolarHBondContact NH1-OD2 3.48Å; R819-D1101 IonicContact NH2-OD1 3.38Å; R819-D1101 PolarHBondContact NH2-OD1 3.39Å; R819-D1101 IonicContact NH2-OD2 3.53Å; R819-D1101 PolarHBondContact NH2-OD2 3.46Å
820	E	92.3	Very high	90.5	Very high	34 Å²	34	28 Å²	28	16%	0.159	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-44.3	-179	-71.2	173	155	0	0	111.5	S778 I781 E816 L817 T822 A823 G824	S778-E820 VanDerWaalsContact CB-OE1 3.24Å; S778-E820 WeakPolarHBondContact CB-OE1 3.44Å; S778-E820 WeakPolarHBondContact CB-OE2 3.43Å; S778-E820 PolarHBondContact OG-OE1 2.96Å; S778-E820 PolarHBondContact OG-OE2 2.82Å; I781-E820 HydrophobicContact CD1-CB 4.32Å; E816-E820 WeakPolarHBondContact O-CB 3.33Å; E816-E820 VanDerWaalsContact O-CG 3.28Å; E816-E820 WeakPolarHBondContact O-CG 3.33Å; E816-E820 PolarHBondContact O-N 2.73Å; L817-E820 PolarHBondContact O-N 2.96Å; E820-T822 VanDerWaalsContact C-N 3.34Å; E820-T822 PolarHBondContact O-N 3.25Å; E820-A823 PolarHBondContact O-N 3.04Å; E820-G824 PolarHBondContact O-N 3.24Å
821	T	92.9	Very high	91.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-43.6	175	-52	0	0	0	0	111.4	V794 L817 G824 H825 L826 L828	V794-T821 HydrophobicContact CB-CG2 3.94Å; V794-T821 HydrophobicContact CG2-CG2 3.71Å; L817-T821 WeakPolarHBondContact O-CB 3.4Å; L817-T821 PolarHBondContact O-N 2.65Å; L817-T821 PolarHBondContact O-OG1 2.78Å; T821-G824 PolarHBondContact O-N 3.38Å; T821-H825 PolarHBondContact O-N 2.71Å; T821-L826 HydrophobicContact CG2-CB 3.75Å; T821-L826 PolarHBondContact O-N 3.11Å; T821-L826 VanDerWaalsContact O-N 3.09Å; T821-L828 HydrophobicContact CG2-CB 3.96Å; T821-L828 HydrophobicContact CG2-CD1 4.15Å
822	T	89	Confident	91.6	Very high	40 Å²	40	26.3 Å²	26.3	25%	0.245	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-40.7	177.5	-55.1	0	0	0	0	111.7	V818 R819 E820 G824 H825 R1122	V818-T822 WeakPolarHBondContact O-CB 3.26Å; V818-T822 PolarHBondContact O-N 3.48Å; V818-T822 PolarHBondContact O-OG1 3.19Å; R819-T822 PolarHBondContact O-N 3.06Å; E820-T822 VanDerWaalsContact C-N 3.34Å; E820-T822 PolarHBondContact O-N 3.25Å; T822-G824 VanDerWaalsContact C-N 3.33Å; T822-G824 PolarHBondContact O-N 3.33Å; T822-H825 PolarHBondContact O-N 2.74Å; T822-H825 VanDerWaalsContact O-N 3.08Å; T822-R1122 PolarHBondContact OG1-NE 2.79Å
823	A	89.7	Confident	91.8	Very high	78 Å²	78	23.4 Å²	23.4	65%	0.645	14%	0.139	S	C	*	.	H	α-helix	trans	-67.6	-32.3	178	0	0	0	0	0	112.6	R819 E820 H825	R819-A823 WeakPolarHBondContact O-CB 3.49Å; R819-A823 PolarHBondContact O-N 3.27Å; E820-A823 PolarHBondContact O-N 3.04Å; A823-H825 PolarHBondContact O-N 3.43Å
824	G	87.7	Confident	91.7	Very high	45 Å²	45	22.5 Å²	22.5	46%	0.464	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-1.9	170.3	0	0	0	0	0	114.7	E820 T821 T822 L826	E820-G824 PolarHBondContact O-N 3.24Å; T821-G824 PolarHBondContact O-N 3.38Å; T822-G824 VanDerWaalsContact C-N 3.33Å; T822-G824 PolarHBondContact O-N 3.33Å; G824-L826 PolarHBondContact O-N 3.29Å
825	H	88.5	Confident	91.5	Very high	92 Å²	92	24.7 Å²	24.7	43%	0.426	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	34.8	-171.4	-61.8	-77.7	0	0	0	114	T821 T822 A823 G1124 R1126	T821-H825 PolarHBondContact O-N 2.71Å; T822-H825 PolarHBondContact O-N 2.74Å; T822-H825 VanDerWaalsContact O-N 3.08Å; A823-H825 PolarHBondContact O-N 3.43Å; H825-G1124 PolarHBondContact ND1-O 2.98Å; H825-R1126 PolarHBondContact CD2-NH2 3.12Å; H825-R1126 PolarHBondContact NE2-NH2 2.99Å
826	L	91.9	Very high	91.4	Very high	23 Å²	23	29.1 Å²	29.1	12%	0.12	17%	0.173	C	C	.	.			trans	-96.7	148.7	177.2	-57.9	169.3	0	0	0	110	I781 V794 T821 G824	I781-L826 HydrophobicContact CG2-CD1 3.48Å; I781-L826 VanDerWaalsContact CG2-CD1 3.48Å; V794-L826 HydrophobicContact CG2-CD1 4.17Å; T821-L826 HydrophobicContact CG2-CB 3.75Å; T821-L826 PolarHBondContact O-N 3.11Å; T821-L826 VanDerWaalsContact O-N 3.09Å; G824-L826 PolarHBondContact O-N 3.29Å
827	A	93.1	Very high	91.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	148.7	168	0	0	0	0	0	110.5	W693 N792 T793 V794 M860 R1122	W693-A827 HydrophobicContact CH2-CB 4.44Å; W693-A827 HydrophobicContact CZ2-CB 3.9Å; N792-A827 PolarHBondContact O-N 2.96Å; T793-A827 CarbonylContact C-O 3.55Å; T793-A827 VanDerWaalsContact CA-O 3.27Å; T793-A827 WeakPolarHBondContact CA-O 3.31Å; T793-A827 HydrophobicContact CG2-CB 4.1Å; V794-A827 PolarHBondContact N-O 3.05Å; A827-M860 HydrophobicContact CB-CE 3.93Å; A827-M860 HydrophobicContact CB-SD 3.87Å; A827-R1122 CarbonylContact C-O 3.54Å; A827-R1122 VanDerWaalsContact CA-O 3.28Å; A827-R1122 WeakPolarHBondContact CA-O 3.25Å
828	L	95.4	Very high	91.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.5	175.5	-177.8	68.6	0	0	0	110.7	V794 V796 V818 T821 V830 M1091 R1122	V794-L828 HydrophobicContact CB-CD1 4Å; V794-L828 HydrophobicContact CG1-CD1 4.13Å; V796-L828 HydrophobicContact CG1-CD1 4.22Å; V818-L828 HydrophobicContact CB-CD2 4.17Å; V818-L828 HydrophobicContact CG1-CD2 3.96Å; V818-L828 HydrophobicContact CG2-CD2 3.75Å; T821-L828 HydrophobicContact CG2-CB 3.96Å; T821-L828 HydrophobicContact CG2-CD1 4.15Å; L828-V830 HydrophobicContact CD1-CG2 4.2Å; L828-V830 HydrophobicContact CD2-CG2 3.77Å; L828-V830 HydrophobicContact CG-CG2 3.78Å; L828-M1091 HydrophobicContact CD2-SD 4.36Å; L828-R1122 HydrophobicContact CB-CB 4.25Å; L828-R1122 PolarHBondContact N-O 3.15Å; L828-R1122 PolarHBondContact O-N 2.97Å
829	L	95.9	Very high	91.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.5	172.1	-57.1	179.6	0	0	0	108.9	L697 L721 T793 V794 L795 V796 L864 L1120 V1121	L697-L829 HydrophobicContact CD2-CD1 4.25Å; L721-L829 HydrophobicContact CD2-CD1 4.23Å; T793-L829 HydrophobicContact CG2-CD1 3.67Å; T793-L829 HydrophobicContact CG2-CG 3.72Å; V794-L829 PolarHBondContact O-N 3.38Å; L795-L829 WeakPolarHBondContact CA-O 3.17Å; L795-L829 HydrophobicContact CD1-CB 3.75Å; V796-L829 PolarHBondContact N-O 3.03Å; L829-L864 HydrophobicContact CD1-CD2 4.34Å; L829-L864 HydrophobicContact CD2-CD1 3.55Å; L829-L1120 WeakPolarHBondContact CA-O 3.36Å; L829-V1121 HydrophobicContact CD2-CB 4.38Å; L829-V1121 HydrophobicContact CD2-CG1 4.13Å; L829-V1121 HydrophobicContact CD2-CG2 3.98Å
830	V	95.4	Very high	91.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126	177	-170.7	0	0	0	0	110	V796 W798 F814 L828 M1091 M1119 L1120	V796-V830 HydrophobicContact CG1-CB 4.34Å; V796-V830 HydrophobicContact CG1-CG1 4.18Å; V796-V830 HydrophobicContact CG1-CG2 3.85Å; V796-V830 WeakPolarHBondContact O-CA 3.22Å; W798-V830 HydrophobicContact CE3-CG1 3.96Å; F814-V830 HydrophobicContact CE2-CG1 3.79Å; F814-V830 HydrophobicContact CE2-CG2 4.07Å; F814-V830 HydrophobicContact CZ-CG1 3.84Å; F814-V830 HydrophobicContact CZ-CG2 4.07Å; L828-V830 HydrophobicContact CD1-CG2 4.2Å; L828-V830 HydrophobicContact CD2-CG2 3.77Å; L828-V830 HydrophobicContact CG-CG2 3.78Å; V830-M1091 HydrophobicContact CB-CE 4.13Å; V830-M1091 HydrophobicContact CG2-CE 3.75Å; V830-M1119 WeakPolarHBondContact O-CA 3.26Å; V830-L1120 HydrophobicContact CB-CB 4.25Å; V830-L1120 PolarHBondContact N-O 3.19Å; V830-L1120 PolarHBondContact O-N 2.88Å
831	T	94.2	Very high	90.8	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.5	-175.3	49	0	0	0	0	110.9	L714 L717 L795 V796 W798 V834 F837 M1119	L714-T831 HydrophobicContact CD1-CG2 4.44Å; L714-T831 WeakPolarHBondContact CD1-OG1 3.41Å; L717-T831 HydrophobicContact CD2-CG2 3.6Å; L795-T831 HydrophobicContact CD1-CG2 3.91Å; V796-T831 PolarHBondContact O-N 3.19Å; V796-T831 PolarHBondContact O-OG1 3.08Å; W798-T831 WeakPolarHBondContact CB-O 3.16Å; W798-T831 PolarHBondContact N-O 3.14Å; T831-V834 VanDerWaalsContact O-CG2 3.24Å; T831-V834 WeakPolarHBondContact O-CG2 3.37Å; T831-F837 HydrophobicContact CG2-CZ 4.49Å; T831-M1119 HydrophobicContact CG2-CG 4.27Å
832	K	92.4	Very high	90.6	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	149.1	173.9	-159.3	179.4	-178	-176.6	0	109.6	W798 V834 E1109 T1112 V1118	W798-K832 HydrophobicContact CB-CB 4.3Å; W798-K832 HydrophobicContact CB-CG 4.19Å; W798-K832 HydrophobicContact CG-CG 3.97Å; K832-V834 VanDerWaalsContact C-N 3.32Å; K832-V834 PolarHBondContact O-N 3.29Å; K832-E1109 WeakPolarHBondContact CE-OE1 3.08Å; K832-E1109 IonicContact NZ-OE1 2.78Å; K832-E1109 PolarHBondContact NZ-OE1 3.22Å; K832-T1112 WeakPolarHBondContact CD-OG1 3.37Å; K832-T1112 PolarHBondContact NZ-O 3.24Å; K832-T1112 PolarHBondContact NZ-OG1 3.09Å; K832-V1118 HydrophobicContact CB-CB 4.09Å; K832-V1118 PolarHBondContact N-O 2.87Å
833	N	90.2	Very high	90.6	Very high	61 Å²	61	43.8 Å²	43.8	33%	0.326	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	43.3	179.3	-57.6	-18	0	0	0	113.5	S835 M836 L1115 D1116	N833-S835 PolarHBondContact O-N 3.49Å; N833-M836 HydrophobicContact CB-CB 4.44Å; N833-M836 HydrophobicContact CB-CG 4.01Å; N833-M836 WeakPolarHBondContact O-CB 3.2Å; N833-M836 PolarHBondContact O-N 2.93Å; N833-L1115 PolarHBondContact ND2-O 3.49Å; N833-L1115 VanDerWaalsContact ND2-O 3.13Å; N833-D1116 VanDerWaalsContact CB-O 3.31Å; N833-D1116 WeakPolarHBondContact CB-O 3.43Å; N833-D1116 PolarHBondContact ND2-O 3.5Å
834	V	87.7	Confident	90.6	Very high	6 Å²	6	42 Å²	42	4%	0.036	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-47.7	-37	-172.6	-171	0	0	0	0	113.6	H711 Q713 L714 T831 K832 M836 F837	H711-V834 HydrophobicContact CB-CG1 4.17Å; Q713-V834 HydrophobicContact CB-CG1 4.47Å; Q713-V834 PolarHBondContact OE1-O 2.69Å; L714-V834 HydrophobicContact CB-CG1 4.22Å; T831-V834 VanDerWaalsContact O-CG2 3.24Å; T831-V834 WeakPolarHBondContact O-CG2 3.37Å; K832-V834 VanDerWaalsContact C-N 3.32Å; K832-V834 PolarHBondContact O-N 3.29Å; V834-M836 PolarHBondContact O-N 3.29Å; V834-F837 WeakPolarHBondContact O-CB 3.48Å; V834-F837 PolarHBondContact O-N 3.08Å
835	S	86.9	Confident	90.3	Very high	59 Å²	59	43.9 Å²	43.9	41%	0.413	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-69.8	-5	-179.8	57.2	0	0	0	0	115.6	Q713 R800 N833	Q713-S835 PolarHBondContact NE2-O 2.9Å; Q713-S835 PolarHBondContact OE1-O 3.01Å; Q713-S835 VanDerWaalsContact OE1-O 3.11Å; R800-S835 VanDerWaalsContact NH2-CB 3.31Å; R800-S835 PolarHBondContact NH2-OG 2.93Å; N833-S835 PolarHBondContact O-N 3.49Å
836	M	88.9	Confident	90.3	Very high	93 Å²	93	46.2 Å²	46.2	46%	0.458	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-97.3	-2	176	-56	-66.4	-89.3	0	0	112	N833 V834 R1117	N833-M836 HydrophobicContact CB-CB 4.44Å; N833-M836 HydrophobicContact CB-CG 4.01Å; N833-M836 WeakPolarHBondContact O-CB 3.2Å; N833-M836 PolarHBondContact O-N 2.93Å; V834-M836 PolarHBondContact O-N 3.29Å; M836-R1117 HydrophobicContact CB-CG 4.05Å; M836-R1117 VanDerWaalsContact O-CD 3.27Å; M836-R1117 WeakPolarHBondContact O-CD 3.22Å; M836-R1117 PolarHBondContact O-NH1 3.44Å
837	F	92.1	Very high	90.1	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.013	25%	0.249	C	C	.	.	S	Bend	trans	-77.8	142	-179.3	-85.5	-104.2	0	0	0	111.4	Q713 L717 T831 V834 L1086 R1117	Q713-F837 HydrophobicContact CB-CB 4.49Å; Q713-F837 PolarHBondContact OE1-O 3.21Å; Q713-F837 VanDerWaalsContact OE1-O 3.04Å; L717-F837 HydrophobicContact CD1-CD1 3.98Å; L717-F837 HydrophobicContact CD1-CE1 4.01Å; L717-F837 HydrophobicContact CD2-CD1 4Å; L717-F837 HydrophobicContact CD2-CE1 3.77Å; L717-F837 HydrophobicContact CD2-CZ 4.39Å; L717-F837 HydrophobicContact CG-CD1 4.39Å; L717-F837 HydrophobicContact CG-CE1 4.46Å; T831-F837 HydrophobicContact CG2-CZ 4.49Å; V834-F837 WeakPolarHBondContact O-CB 3.48Å; V834-F837 PolarHBondContact O-N 3.08Å; F837-L1086 HydrophobicContact CE1-CD1 3.83Å; F837-L1086 HydrophobicContact CZ-CD1 3.74Å; F837-R1117 HydrophobicContact CD2-CG 3.99Å; F837-R1117 HydrophobicContact CE2-CB 4.1Å; F837-R1117 HydrophobicContact CE2-CG 3.94Å; F837-R1117 HydrophobicContact CG-CG 4.48Å; F837-R1117 HydrophobicContact CZ-CB 4.19Å; F837-R1117 HydrophobicContact CZ-CG 4.39Å
838	P	92.3	Very high	90.2	Very high	5 Å²	5	47 Å²	47	3%	0.032	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-66.5	137.1	-175.6	28.6	-36.9	0	0	0	111.6	Q720 E842 F844 V873 W874	Q720-P838 PolarHBondContact NE2-O 3.01Å; P838-E842 VanDerWaalsContact CA-OE2 3.23Å; P838-E842 WeakPolarHBondContact CA-OE2 3.5Å; P838-E842 HydrophobicContact CB-CB 4.25Å; P838-F844 HydrophobicContact CB-CE2 4.28Å; P838-F844 HydrophobicContact CB-CZ 4.04Å; P838-F844 HydrophobicContact CG-CE2 3.83Å; P838-F844 HydrophobicContact CG-CZ 3.89Å; P838-V873 HydrophobicContact CB-CG1 3.83Å; P838-V873 HydrophobicContact CG-CG1 3.55Å; P838-W874 HydrophobicContact CG-CH2 4.3Å; P838-W874 HydrophobicContact CG-CZ2 3.6Å
839	G	89.5	Confident	90.2	Very high	13 Å²	13	47.1 Å²	47.1	13%	0.134	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-67.7	161.1	169	0	0	0	0	0	112	E842	G839-E842 PolarHBondContact N-OE2 3.14Å; G839-E842 PolarHBondContact O-N 2.94Å; G839-E842 VanDerWaalsContact O-N 3.09Å
840	N	87.9	Confident	90.2	Very high	39 Å²	39	47.1 Å²	47.1	21%	0.209	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.1	178.3	-89.6	-62.5	0	0	0	117.8	S719 E759	S719-N840 PolarHBondContact OG-ND2 3.4Å; S719-N840 PolarHBondContact OG-OD1 3.19Å; E759-N840 PolarHBondContact O-ND2 3.05Å; E759-N840 PolarHBondContact OE2-ND2 2.89Å
841	P	86.2	Confident	90.2	Very high	106 Å²	106	47 Å²	47	69%	0.688	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-24	173.2	30.8	-33.6	0	0	0	113.6
842	E	87.8	Confident	90.2	Very high	111 Å²	111	47 Å²	47	52%	0.519	25%	0.254	S	S	.	.			trans	-73.5	147	-175	-62	173.4	167	0	0	110.9	P838 G839 V873	P838-E842 VanDerWaalsContact CA-OE2 3.23Å; P838-E842 WeakPolarHBondContact CA-OE2 3.5Å; P838-E842 HydrophobicContact CB-CB 4.25Å; G839-E842 PolarHBondContact N-OE2 3.14Å; G839-E842 PolarHBondContact O-N 2.94Å; G839-E842 VanDerWaalsContact O-N 3.09Å; E842-V873 WeakPolarHBondContact O-CG2 3.04Å
843	R	88.6	Confident	90.1	Very high	175 Å²	175	47.2 Å²	47.2	66%	0.66	25%	0.254	S	S	*	.			trans	-146.2	133.4	-178	-56	-178.3	-162.8	159.2	8.4	110.3	S845	R843-S845 PolarHBondContact O-N 3.16Å
844	F	89.4	Confident	89.8	Confident	42 Å²	42	44.3 Å²	44.3	18%	0.184	24%	0.238	C	C	.	.			trans	-72.8	130	173.7	-60.6	-60.4	0	0	0	110.5	P838 E846 V873 W874 K1085	P838-F844 HydrophobicContact CB-CE2 4.28Å; P838-F844 HydrophobicContact CB-CZ 4.04Å; P838-F844 HydrophobicContact CG-CE2 3.83Å; P838-F844 HydrophobicContact CG-CZ 3.89Å; F844-E846 VanDerWaalsContact C-N 3.32Å; F844-V873 HydrophobicContact CD2-CG1 4.29Å; F844-V873 HydrophobicContact CE2-CG1 4.2Å; F844-V873 PolarHBondContact N-O 3.39Å; F844-W874 HydrophobicContact CD2-CD2 4.32Å; F844-W874 AromaticContact CD2-CE3 3.94Å; F844-W874 HydrophobicContact CD2-CE3 3.94Å; F844-W874 HydrophobicContact CD2-CZ3 4.11Å; F844-W874 HydrophobicContact CE2-CD2 4.1Å; F844-W874 AromaticContact CE2-CE3 3.74Å; F844-W874 HydrophobicContact CE2-CE3 3.74Å; F844-W874 AromaticContact CE2-CH2 3.68Å; F844-W874 HydrophobicContact CE2-CH2 3.68Å; F844-W874 HydrophobicContact CE2-CZ2 4.03Å; F844-W874 AromaticContact CE2-CZ3 3.52Å; F844-W874 HydrophobicContact CE2-CZ3 3.52Å; F844-W874 HydrophobicContact CZ-CH2 4.33Å; F844-W874 HydrophobicContact CZ-CZ3 4.41Å; F844-K1085 HydrophobicContact CD1-CD 4.46Å; F844-K1085 HydrophobicContact CD1-CG 4.39Å; F844-K1085 HydrophobicContact CE1-CD 4.43Å; F844-K1085 HydrophobicContact CE2-CB 4.35Å; F844-K1085 HydrophobicContact CG-CG 4.49Å; F844-K1085 HydrophobicContact CZ-CB 4.42Å
845	S	83.1	Confident	89.2	Confident	84 Å²	84	44.2 Å²	44.2	59%	0.587	24%	0.238	S	C	*	.	S	Bend	trans	-65.5	-39.4	169	45.8	0	0	0	0	111.1	R843 K876	R843-S845 PolarHBondContact O-N 3.16Å; S845-K876 WeakPolarHBondContact O-CD 3.44Å
846	E	87.1	Confident	88.7	Confident	141 Å²	141	43 Å²	43	66%	0.659	23%	0.226	S	C	*	.	S	Bend	trans	-163.7	172.1	-177.4	67.6	-160.2	141.7	0	0	110.7	F844	F844-E846 VanDerWaalsContact C-N 3.32Å
847	G	89.1	Confident	88.3	Confident	25 Å²	25	39.9 Å²	39.9	26%	0.258	21%	0.211	S	C	.	.			trans	141.7	-179.7	177.5	0	0	0	0	0	112.7	C877 K878	G847-C877 CarbonylContact O-C 3.58Å; G847-C877 VanDerWaalsContact O-CA 3.28Å; G847-C877 WeakPolarHBondContact O-CA 3.28Å; G847-K878 PolarHBondContact O-N 3.24Å
848	S	93.3	Very high	87.7	Confident	15 Å²	15	39.8 Å²	39.8	11%	0.105	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	152.8	172.4	67.1	0	0	0	0	112.6	D850 K878 K1085	S848-D850 WeakPolarHBondContact CB-OD1 3.08Å; S848-D850 PolarHBondContact OG-OD1 3.07Å; S848-K878 CarbonylContact C-O 3.38Å; S848-K878 WeakPolarHBondContact CA-O 3.47Å; S848-K1085 PolarHBondContact O-N 3.47Å
849	I	95.7	Very high	87.3	Confident	2 Å²	2	40 Å²	40	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.7	155.3	-58.8	166.9	0	0	0	105.6	P865 L868 W874 C877 K878 M879 R880 L1086 L1088	I849-P865 HydrophobicContact CG2-CB 3.95Å; I849-P865 HydrophobicContact CG2-CG 4.32Å; I849-L868 HydrophobicContact CD1-CD2 4.46Å; I849-W874 HydrophobicContact CD1-CB 4.36Å; I849-W874 HydrophobicContact CD1-CE3 3.94Å; I849-W874 HydrophobicContact CG1-CE3 3.98Å; I849-W874 HydrophobicContact CG1-CZ3 4.33Å; I849-C877 HydrophobicContact CD1-CB 4.11Å; I849-C877 HydrophobicContact CG1-CB 3.93Å; I849-K878 PolarHBondContact N-O 3.42Å; I849-M879 WeakPolarHBondContact O-CA 3.42Å; I849-R880 PolarHBondContact O-N 2.9Å; I849-L1086 WeakPolarHBondContact CA-O 3.45Å; I849-L1086 HydrophobicContact CG1-CB 4.44Å; I849-L1086 HydrophobicContact CG2-CB 4.28Å; I849-L1086 HydrophobicContact CG2-CD2 4.33Å; I849-L1086 HydrophobicContact CG2-CG 4.5Å; I849-L1088 HydrophobicContact CG2-CD1 3.46Å; I849-L1088 VanDerWaalsContact CG2-CD1 3.46Å
850	D	95.9	Very high	87.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.9	-175.1	-75.8	14.4	0	0	0	109.7	S848 R880 F882 S1081 A1084 L1086 V1087 L1088	S848-D850 WeakPolarHBondContact CB-OD1 3.08Å; S848-D850 PolarHBondContact OG-OD1 3.07Å; D850-R880 CarbonylContact C-O 3.55Å; D850-R880 IonicContact OD1-CZ 3.5Å; D850-R880 IonicContact OD1-NE 2.87Å; D850-R880 PolarHBondContact OD1-NE 3.37Å; D850-R880 IonicContact OD1-NH2 3.28Å; D850-R880 PolarHBondContact OD1-NH2 3.01Å; D850-R880 IonicContact OD2-CZ 3.53Å; D850-R880 IonicContact OD2-NE 3.62Å; D850-R880 IonicContact OD2-NH2 2.68Å; D850-R880 PolarHBondContact OD2-NH2 2.88Å; D850-F882 HydrophobicContact CB-CE2 3.96Å; D850-S1081 WeakPolarHBondContact OD2-CA 3.26Å; D850-S1081 WeakPolarHBondContact OD2-CB 3.38Å; D850-S1081 PolarHBondContact OD2-OG 2.98Å; D850-A1084 HydrophobicContact CB-CB 4.11Å; D850-L1086 PolarHBondContact N-O 2.86Å; D850-V1087 WeakPolarHBondContact O-CA 3.22Å; D850-L1088 PolarHBondContact O-N 2.86Å
851	V	95.4	Very high	87.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	109.8	-174.7	-172.1	0	0	0	0	109.2	L861 P865 M879 R880 I881 F882	V851-L861 HydrophobicContact CG1-CB 3.91Å; V851-L861 WeakPolarHBondContact CG1-O 3.11Å; V851-P865 HydrophobicContact CG2-CB 4.32Å; V851-P865 HydrophobicContact CG2-CG 3.6Å; V851-M879 HydrophobicContact CG2-CG 4.44Å; V851-R880 PolarHBondContact N-O 3.08Å; V851-I881 HydrophobicContact CB-CG1 4.42Å; V851-I881 CarbonylContact O-C 3.6Å; V851-I881 WeakPolarHBondContact O-CA 3.22Å; V851-F882 PolarHBondContact O-N 3.47Å
852	W	93.9	Very high	87.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	107.8	175	-74	84.2	0	0	0	110	F882 V884 V914 V1076 I1077 K1080 S1081 L1088 L1089	W852-F882 WeakPolarHBondContact CA-O 3.41Å; W852-F882 HydrophobicContact CD2-CB 3.65Å; W852-F882 HydrophobicContact CD2-CD2 4.15Å; W852-F882 HydrophobicContact CD2-CG 4.15Å; W852-F882 AromaticContact CE2-CD2 3.58Å; W852-F882 AromaticContact CE2-CG 3.77Å; W852-F882 HydrophobicContact CE3-CB 3.64Å; W852-F882 HydrophobicContact CE3-CG 4.46Å; W852-F882 HydrophobicContact CG-CB 4.28Å; W852-F882 HydrophobicContact CG-CD2 4.4Å; W852-F882 HydrophobicContact CH2-CB 3.98Å; W852-F882 HydrophobicContact CH2-CD1 4.42Å; W852-F882 HydrophobicContact CH2-CG 4.12Å; W852-F882 HydrophobicContact CZ2-CB 3.97Å; W852-F882 HydrophobicContact CZ2-CD1 4.22Å; W852-F882 AromaticContact CZ2-CD2 3.89Å; W852-F882 HydrophobicContact CZ2-CD2 3.89Å; W852-F882 HydrophobicContact CZ2-CE2 4.47Å; W852-F882 AromaticContact CZ2-CG 3.75Å; W852-F882 HydrophobicContact CZ2-CG 3.75Å; W852-F882 HydrophobicContact CZ3-CB 3.82Å; W852-F882 HydrophobicContact CZ3-CG 4.46Å; W852-F882 AromaticContact NE1-CD2 3.53Å; W852-V884 HydrophobicContact CE3-CG2 4.46Å; W852-V914 HydrophobicContact CH2-CG2 4.25Å; W852-V914 HydrophobicContact CZ3-CG2 4.14Å; W852-V1076 HydrophobicContact CH2-CG1 3.85Å; W852-V1076 HydrophobicContact CZ3-CG1 4.11Å; W852-I1077 HydrophobicContact CD2-CG1 3.79Å; W852-I1077 HydrophobicContact CE3-CG1 3.97Å; W852-I1077 HydrophobicContact CG-CG1 4.3Å; W852-I1077 HydrophobicContact CH2-CG1 4.27Å; W852-I1077 HydrophobicContact CZ2-CB 4.34Å; W852-I1077 HydrophobicContact CZ2-CG1 4.1Å; W852-I1077 HydrophobicContact CZ3-CG1 4.21Å; W852-K1080 HydrophobicContact CH2-CD 4.24Å; W852-K1080 HydrophobicContact CZ2-CB 4.11Å; W852-K1080 HydrophobicContact CZ2-CD 4.37Å; W852-S1081 PolarHBondContact NE1-OG 2.98Å; W852-L1088 PolarHBondContact N-O 2.84Å; W852-L1089 HydrophobicContact CB-CB 3.91Å
853	W	90.4	Very high	87.5	Confident	11 Å²	11	27.5 Å²	27.5	4%	0.042	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	103.5	177.1	176.6	16.7	0	0	0	109.9	V855 H856 L861 F882 T883 V884 L898 I953 T957	W853-V855 PolarHBondContact NE1-O 3.15Å; W853-H856 PolarHBondContact NE1-O 2.88Å; W853-L861 HydrophobicContact CB-CD1 4.07Å; W853-L861 HydrophobicContact CG-CD1 4.2Å; W853-F882 PolarHBondContact N-O 3.17Å; W853-T883 HydrophobicContact CB-CG2 4.29Å; W853-T883 HydrophobicContact CD2-CG2 4.32Å; W853-T883 HydrophobicContact CE3-CG2 3.61Å; W853-T883 HydrophobicContact CZ3-CG2 4.34Å; W853-V884 PolarHBondContact O-N 3.16Å; W853-L898 HydrophobicContact CE3-CD2 4.5Å; W853-L898 HydrophobicContact CZ3-CD1 3.93Å; W853-L898 HydrophobicContact CZ3-CD2 4.27Å; W853-I953 HydrophobicContact CH2-CD1 4.39Å; W853-I953 HydrophobicContact CH2-CG1 3.96Å; W853-I953 HydrophobicContact CH2-CG2 4.24Å; W853-I953 HydrophobicContact CZ3-CD1 3.97Å; W853-I953 HydrophobicContact CZ3-CG1 3.98Å; W853-T957 HydrophobicContact CH2-CG2 3.37Å; W853-T957 VanDerWaalsContact CH2-OG1 3.27Å; W853-T957 WeakPolarHBondContact CH2-OG1 3.34Å; W853-T957 HydrophobicContact CZ2-CG2 4.12Å; W853-T957 WeakPolarHBondContact CZ2-OG1 3.46Å; W853-T957 HydrophobicContact CZ3-CG2 3.86Å
854	I	85.3	Confident	87.7	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.11	C	C	.	.			trans	-105.2	86	-178.3	-45.7	166.1	0	0	0	108.3	H856 V884 Y924 L1073 N1090	I854-H856 PolarHBondContact O-N 3.42Å; I854-V884 HydrophobicContact CB-CG2 4.47Å; I854-V884 HydrophobicContact CG1-CG2 3.99Å; I854-V884 HydrophobicContact CG2-CB 4.45Å; I854-V884 HydrophobicContact CG2-CG2 4.38Å; I854-Y924 HydrophobicContact CB-CD1 4.35Å; I854-Y924 HydrophobicContact CB-CE1 4.38Å; I854-Y924 HydrophobicContact CB-CG 4.43Å; I854-Y924 HydrophobicContact CD1-CE1 4.44Å; I854-Y924 HydrophobicContact CD1-CE2 4.07Å; I854-Y924 HydrophobicContact CG2-CD1 4.15Å; I854-Y924 HydrophobicContact CG2-CD2 3.69Å; I854-Y924 HydrophobicContact CG2-CE1 4.47Å; I854-Y924 HydrophobicContact CG2-CE2 4.05Å; I854-Y924 HydrophobicContact CG2-CG 3.73Å; I854-L1073 HydrophobicContact CD1-CD1 4.41Å; I854-L1073 HydrophobicContact CD1-CD2 4.06Å; I854-N1090 WeakPolarHBondContact CA-OD1 3.47Å; I854-N1090 VanDerWaalsContact CB-OD1 3.28Å; I854-N1090 WeakPolarHBondContact CB-OD1 3.48Å; I854-N1090 PolarHBondContact N-OD1 3.2Å; I854-N1090 PolarHBondContact O-ND2 2.73Å
855	V	74.6	Confident	87.9	Confident	5 Å²	5	17.3 Å²	17.3	3%	0.03	10%	0.102	C	C	.	.	S	Bend	trans	68.7	-51.7	178.8	-167.3	0	0	0	0	115.4	W853 K928 Q954	W853-V855 PolarHBondContact NE1-O 3.15Å; V855-K928 HydrophobicContact CG1-CD 3.88Å; V855-K928 HydrophobicContact CG1-CG 4.01Å; V855-Q954 PolarHBondContact O-NE2 3.45Å
856	H	77.1	Confident	88.3	Confident	33 Å²	33	15 Å²	15	15%	0.153	8%	0.081	C	C	.	.	S	Bend	trans	-110.6	169.5	-166.3	-58.7	-56	0	0	0	114.3	W853 I854 G858 Y924	W853-H856 PolarHBondContact NE1-O 2.88Å; I854-H856 PolarHBondContact O-N 3.42Å; H856-G858 PolarHBondContact O-N 2.84Å; H856-G858 VanDerWaalsContact O-N 3.09Å; H856-Y924 PolarHBondContact NE2-O 3.37Å
857	D	80.4	Confident	88.5	Confident	28 Å²	28	9.8 Å²	9.8	15%	0.15	6%	0.058	C	C	.	.			trans	58.5	18.5	170.9	-60.5	-28.1	0	0	0	116.9	G859 M860 L861 G1123	D857-G859 VanDerWaalsContact C-N 3.28Å; D857-G859 PolarHBondContact O-N 3.38Å; D857-G859 VanDerWaalsContact O-N 3.09Å; D857-M860 PolarHBondContact O-N 2.88Å; D857-L861 HydrophobicContact CB-CD1 4.48Å; D857-L861 PolarHBondContact O-N 3.29Å; D857-L861 VanDerWaalsContact O-N 3.1Å; D857-G1123 VanDerWaalsContact CG-N 3.32Å; D857-G1123 PolarHBondContact OD2-N 2.81Å
858	G	79.7	Confident	88.6	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-51.1	-41	-172	0	0	0	0	0	114.7	H856 M860 L861 M862	H856-G858 PolarHBondContact O-N 2.84Å; H856-G858 VanDerWaalsContact O-N 3.09Å; G858-M860 PolarHBondContact O-N 2.8Å; G858-L861 PolarHBondContact O-N 3.25Å; G858-M862 WeakPolarHBondContact O-CB 3.39Å; G858-M862 WeakPolarHBondContact O-CG 3.18Å; G858-M862 PolarHBondContact O-N 3.23Å; G858-M862 VanDerWaalsContact O-N 3.12Å
859	G	83.3	Confident	88.6	Confident	9 Å²	9	11.5 Å²	11.5	9%	0.093	5%	0.054	C	C	.	.	H	α-helix	trans	-62.2	-40.9	179.6	0	0	0	0	0	113.8	D857 L863 I953 I1129	D857-G859 VanDerWaalsContact C-N 3.28Å; D857-G859 PolarHBondContact O-N 3.38Å; D857-G859 VanDerWaalsContact O-N 3.09Å; G859-L863 WeakPolarHBondContact O-CB 3.49Å; G859-L863 PolarHBondContact O-N 2.93Å; G859-I953 VanDerWaalsContact N-CG2 3.32Å; G859-I1129 VanDerWaalsContact C-CD1 3.48Å; G859-I1129 WeakPolarHBondContact O-CD1 3.49Å
860	M	87.8	Confident	88.3	Confident	5 Å²	5	17.1 Å²	17.1	3%	0.025	8%	0.08	C	C	.	.	H	α-helix	trans	-76.8	-41.4	179.7	175.1	165	46	0	0	111.6	W693 A827 D857 G858 M862 L863 L864 V1121 R1122	W693-M860 HydrophobicContact CH2-CG 4.19Å; W693-M860 HydrophobicContact CH2-SD 3.43Å; W693-M860 WeakPolarHBondContact CH2-SD 3.19Å; W693-M860 HydrophobicContact CZ2-SD 4.07Å; W693-M860 HydrophobicContact CZ3-CG 4.1Å; W693-M860 HydrophobicContact CZ3-SD 3.94Å; A827-M860 HydrophobicContact CB-CE 3.93Å; A827-M860 HydrophobicContact CB-SD 3.87Å; D857-M860 PolarHBondContact O-N 2.88Å; G858-M860 PolarHBondContact O-N 2.8Å; M860-M862 PolarHBondContact O-N 2.92Å; M860-M862 VanDerWaalsContact O-N 3.13Å; M860-L863 PolarHBondContact O-N 3.17Å; M860-L863 VanDerWaalsContact O-N 3.15Å; M860-L864 HydrophobicContact CG-CD1 3.67Å; M860-L864 HydrophobicContact CG-CG 4Å; M860-L864 WeakPolarHBondContact O-CG 3.41Å; M860-L864 PolarHBondContact O-N 3.49Å; M860-L864 HydrophobicContact SD-CD1 4.31Å; M860-V1121 HydrophobicContact CE-CG1 3.73Å; M860-V1121 HydrophobicContact CG-CG1 3.96Å; M860-V1121 HydrophobicContact SD-CG1 4.07Å; M860-R1122 WeakPolarHBondContact CE-O 3.42Å
861	L	89.7	Confident	88	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-54.4	-29.3	172.8	-75.9	166.8	0	0	0	112.5	V851 W853 D857 G858 P865 L1088 N1090 V1121	V851-L861 HydrophobicContact CG1-CB 3.91Å; V851-L861 WeakPolarHBondContact CG1-O 3.11Å; W853-L861 HydrophobicContact CB-CD1 4.07Å; W853-L861 HydrophobicContact CG-CD1 4.2Å; D857-L861 HydrophobicContact CB-CD1 4.48Å; D857-L861 PolarHBondContact O-N 3.29Å; D857-L861 VanDerWaalsContact O-N 3.1Å; G858-L861 PolarHBondContact O-N 3.25Å; L861-P865 WeakPolarHBondContact O-CD 3.4Å; L861-P865 VanDerWaalsContact O-CG 3.24Å; L861-P865 WeakPolarHBondContact O-CG 3.15Å; L861-L1088 HydrophobicContact CD2-CB 4.35Å; L861-N1090 HydrophobicContact CD1-CB 4.21Å; L861-V1121 HydrophobicContact CD2-CB 3.92Å; L861-V1121 HydrophobicContact CD2-CG1 4.23Å; L861-V1121 HydrophobicContact CD2-CG2 4.09Å
862	M	88.6	Confident	87.9	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-89.3	-33.2	178.9	-67.3	-70.2	-78.8	0	0	113.5	G858 M860 F866 M879 I881 L902 I953 Y1132	G858-M862 WeakPolarHBondContact O-CB 3.39Å; G858-M862 WeakPolarHBondContact O-CG 3.18Å; G858-M862 PolarHBondContact O-N 3.23Å; G858-M862 VanDerWaalsContact O-N 3.12Å; M860-M862 PolarHBondContact O-N 2.92Å; M860-M862 VanDerWaalsContact O-N 3.13Å; M862-F866 WeakPolarHBondContact O-CB 3.38Å; M862-M879 HydrophobicContact CE-CE 4.08Å; M862-M879 HydrophobicContact SD-CE 4.03Å; M862-I881 HydrophobicContact CE-CD1 3.44Å; M862-I881 VanDerWaalsContact CE-CD1 3.44Å; M862-I881 HydrophobicContact CE-CG1 4.26Å; M862-I881 HydrophobicContact SD-CD1 3.65Å; M862-I881 HydrophobicContact SD-CG1 3.79Å; M862-I881 HydrophobicContact SD-CG2 4.1Å; M862-L902 HydrophobicContact CE-CD1 3.87Å; M862-L902 HydrophobicContact CE-CD2 3.17Å; M862-L902 HydrophobicContact CE-CG 4.05Å; M862-I953 HydrophobicContact CE-CD1 3.98Å; M862-I953 HydrophobicContact CG-CD1 3.87Å; M862-Y1132 HydrophobicContact CB-CE1 4.17Å
863	L	90.3	Very high	87.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-73.1	-39.1	178.4	-179.3	64.2	0	0	0	112.8	W693 G859 M860 F866 L867 I1129 Y1132	W693-L863 HydrophobicContact CE3-CD2 3.85Å; W693-L863 HydrophobicContact CZ3-CD2 4.03Å; G859-L863 WeakPolarHBondContact O-CB 3.49Å; G859-L863 PolarHBondContact O-N 2.93Å; M860-L863 PolarHBondContact O-N 3.17Å; M860-L863 VanDerWaalsContact O-N 3.15Å; L863-F866 HydrophobicContact CD1-CD1 4.44Å; L863-F866 WeakPolarHBondContact O-CB 3.49Å; L863-F866 PolarHBondContact O-N 3.44Å; L863-L867 HydrophobicContact CD1-CD1 4.1Å; L863-L867 HydrophobicContact CD1-CD2 4.44Å; L863-L867 HydrophobicContact CD1-CG 4Å; L863-L867 HydrophobicContact CD2-CD1 4.42Å; L863-L867 HydrophobicContact CG-CD1 3.88Å; L863-L867 HydrophobicContact CG-CG 4.21Å; L863-L867 WeakPolarHBondContact O-CG 3.32Å; L863-L867 PolarHBondContact O-N 3.48Å; L863-I1129 HydrophobicContact CB-CD1 4.11Å; L863-I1129 HydrophobicContact CD2-CD1 3.74Å; L863-I1129 HydrophobicContact CD2-CG1 4.28Å; L863-I1129 HydrophobicContact CD2-CG2 4.4Å; L863-Y1132 HydrophobicContact CB-CD1 4.29Å; L863-Y1132 HydrophobicContact CB-CE1 4.14Å; L863-Y1132 HydrophobicContact CD1-CD1 4.06Å
864	L	92.5	Very high	88	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-64.2	-47.3	-175.5	-63.7	167.2	0	0	0	113.4	P695 L721 L829 M860 F866 L867 L868 L1088 M1119 V1121	P695-L864 HydrophobicContact CG-CD2 4.35Å; L721-L864 HydrophobicContact CD1-CD2 4.12Å; L721-L864 HydrophobicContact CD2-CD2 4.2Å; L829-L864 HydrophobicContact CD1-CD2 4.34Å; L829-L864 HydrophobicContact CD2-CD1 3.55Å; M860-L864 HydrophobicContact CG-CD1 3.67Å; M860-L864 HydrophobicContact CG-CG 4Å; M860-L864 WeakPolarHBondContact O-CG 3.41Å; M860-L864 PolarHBondContact O-N 3.49Å; M860-L864 HydrophobicContact SD-CD1 4.31Å; L864-F866 VanDerWaalsContact C-N 3.34Å; L864-F866 PolarHBondContact O-N 3.1Å; L864-L867 PolarHBondContact O-N 3.34Å; L864-L868 VanDerWaalsContact O-CB 3.31Å; L864-L868 WeakPolarHBondContact O-CB 3.23Å; L864-L868 PolarHBondContact O-N 3.04Å; L864-L1088 HydrophobicContact CB-CD2 4.07Å; L864-M1119 HydrophobicContact CB-CE 4.15Å; L864-M1119 HydrophobicContact CD1-CE 4.07Å; L864-V1121 HydrophobicContact CD1-CG1 4.04Å; L864-V1121 HydrophobicContact CD1-CG2 3.93Å
865	P	92.8	Very high	88.3	Confident	1 Å²	1	33 Å²	33	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-36.8	174.8	-21.7	34.6	0	0	0	112.9	I849 V851 L861 L868 R869 M879 L1088	I849-P865 HydrophobicContact CG2-CB 3.95Å; I849-P865 HydrophobicContact CG2-CG 4.32Å; V851-P865 HydrophobicContact CG2-CB 4.32Å; V851-P865 HydrophobicContact CG2-CG 3.6Å; L861-P865 WeakPolarHBondContact O-CD 3.4Å; L861-P865 VanDerWaalsContact O-CG 3.24Å; L861-P865 WeakPolarHBondContact O-CG 3.15Å; P865-L868 PolarHBondContact O-N 3.16Å; P865-R869 VanDerWaalsContact O-CB 3.26Å; P865-R869 WeakPolarHBondContact O-CB 3.19Å; P865-R869 PolarHBondContact O-N 3.28Å; P865-M879 HydrophobicContact CB-CG 4.42Å; P865-M879 HydrophobicContact CB-SD 3.76Å; P865-L1088 HydrophobicContact CG-CD1 3.93Å; P865-L1088 HydrophobicContact CG-CD2 3.63Å; P865-L1088 HydrophobicContact CG-CG 4.41Å
866	F	90.8	Very high	89.1	Confident	36 Å²	36	39.6 Å²	39.6	16%	0.158	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-53.8	176.7	174.9	-90.7	0	0	0	110.5	M862 L863 L864 L868 R869 H870 I907	M862-F866 WeakPolarHBondContact O-CB 3.38Å; L863-F866 HydrophobicContact CD1-CD1 4.44Å; L863-F866 WeakPolarHBondContact O-CB 3.49Å; L863-F866 PolarHBondContact O-N 3.44Å; L864-F866 VanDerWaalsContact C-N 3.34Å; L864-F866 PolarHBondContact O-N 3.1Å; F866-L868 PolarHBondContact O-N 2.96Å; F866-R869 PolarHBondContact O-N 2.99Å; F866-H870 AromaticContact CE1-NE2 3.47Å; F866-H870 WeakPolarHBondContact CE1-NE2 3.24Å; F866-H870 AromaticContact CZ-NE2 3.46Å; F866-H870 WeakPolarHBondContact CZ-NE2 3.36Å; F866-H870 PolarHBondContact O-CD2 3.3Å; F866-H870 PolarHBondContact O-N 3.13Å; F866-I907 HydrophobicContact CD2-CD1 4.26Å; F866-I907 HydrophobicContact CD2-CG1 3.97Å; F866-I907 HydrophobicContact CE2-CG1 4.07Å
867	L	91.4	Very high	89.8	Confident	31 Å²	31	38.1 Å²	38.1	16%	0.162	17%	0.167	C	C	.	.	H	α-helix	trans	-57.2	-46.8	174.9	-69.8	174.6	0	0	0	111.7	P695 L721 L863 L864 R869 H870	P695-L867 HydrophobicContact CG-CD1 4.03Å; L721-L867 HydrophobicContact CD1-CB 4.17Å; L863-L867 HydrophobicContact CD1-CD1 4.1Å; L863-L867 HydrophobicContact CD1-CD2 4.44Å; L863-L867 HydrophobicContact CD1-CG 4Å; L863-L867 HydrophobicContact CD2-CD1 4.42Å; L863-L867 HydrophobicContact CG-CD1 3.88Å; L863-L867 HydrophobicContact CG-CG 4.21Å; L863-L867 WeakPolarHBondContact O-CG 3.32Å; L863-L867 PolarHBondContact O-N 3.48Å; L864-L867 PolarHBondContact O-N 3.34Å; L867-R869 VanDerWaalsContact C-N 3.34Å; L867-R869 PolarHBondContact O-N 3.48Å; L867-H870 WeakPolarHBondContact O-CB 3.43Å; L867-H870 PolarHBondContact O-N 3.04Å; L867-H870 VanDerWaalsContact O-N 3.15Å
868	L	92.1	Very high	90.4	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-38.6	-178.4	-167.3	67.4	0	0	0	112.4	L717 Q720 L721 I849 L864 P865 F866 H870 H871 W874 L1086	L717-L868 HydrophobicContact CD1-CD1 4.17Å; Q720-L868 HydrophobicContact CB-CD1 4.02Å; L721-L868 HydrophobicContact CB-CD1 4.37Å; L721-L868 HydrophobicContact CD1-CB 4.49Å; I849-L868 HydrophobicContact CD1-CD2 4.46Å; L864-L868 VanDerWaalsContact O-CB 3.31Å; L864-L868 WeakPolarHBondContact O-CB 3.23Å; L864-L868 PolarHBondContact O-N 3.04Å; P865-L868 PolarHBondContact O-N 3.16Å; F866-L868 PolarHBondContact O-N 2.96Å; L868-H870 PolarHBondContact O-N 3.41Å; L868-H871 WeakPolarHBondContact O-CB 3.38Å; L868-H871 PolarHBondContact O-N 2.03Å; L868-W874 HydrophobicContact CD1-CG 4.39Å; L868-W874 HydrophobicContact CD2-CD2 3.89Å; L868-W874 HydrophobicContact CD2-CE3 4.4Å; L868-W874 HydrophobicContact CD2-CG 4.1Å; L868-W874 HydrophobicContact CD2-CZ2 4.29Å; L868-W874 HydrophobicContact CG-CB 4.33Å; L868-W874 HydrophobicContact CG-CD2 4.1Å; L868-W874 HydrophobicContact CG-CG 3.75Å; L868-L1086 HydrophobicContact CD2-CD2 3.55Å
869	R	92.3	Very high	91	Very high	72 Å²	72	42.9 Å²	42.9	27%	0.272	19%	0.187	S	C	.	.	H	α-helix	trans	-67.9	-16.6	177.3	-175.4	172.6	166.9	-153.1	-4.3	113.6	P865 F866 L867 H871 R875 C877 T908	P865-R869 VanDerWaalsContact O-CB 3.26Å; P865-R869 WeakPolarHBondContact O-CB 3.19Å; P865-R869 PolarHBondContact O-N 3.28Å; F866-R869 PolarHBondContact O-N 2.99Å; L867-R869 VanDerWaalsContact C-N 3.34Å; L867-R869 PolarHBondContact O-N 3.48Å; R869-H871 PolarHBondContact O-N 2.98Å; R869-R875 VanDerWaalsContact O-CA 3.24Å; R869-R875 WeakPolarHBondContact O-CA 3.42Å; R869-C877 PolarHBondContact NE-O 2.92Å; R869-T908 PolarHBondContact NH1-O 3.2Å; R869-T908 PolarHBondContact NH1-OG1 3.06Å; R869-T908 PolarHBondContact NH2-OG1 3.49Å
870	H	89.3	Confident	91.6	Very high	120 Å²	120	45.6 Å²	45.6	56%	0.556	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-19	167.2	-74	-79.9	0	0	0	112.8	F866 L867 L868	F866-H870 AromaticContact CE1-NE2 3.47Å; F866-H870 WeakPolarHBondContact CE1-NE2 3.24Å; F866-H870 AromaticContact CZ-NE2 3.46Å; F866-H870 WeakPolarHBondContact CZ-NE2 3.36Å; F866-H870 PolarHBondContact O-CD2 3.3Å; F866-H870 PolarHBondContact O-N 3.13Å; L867-H870 WeakPolarHBondContact O-CB 3.43Å; L867-H870 PolarHBondContact O-N 3.04Å; L867-H870 VanDerWaalsContact O-N 3.15Å; L868-H870 PolarHBondContact O-N 3.41Å
871	H	91.4	Very high	91.8	Very high	32 Å²	32	45.4 Å²	45.4	15%	0.148	19%	0.193	C	C	.	.	S	Bend	trans	-80.5	149.6	-179.6	-164.1	-108.6	0	0	0	113.8	Q720 L868 R869 V873 W874 R875	Q720-H871 HydrophobicContact CB-CB 4.48Å; Q720-H871 WeakPolarHBondContact CG-ND1 3.4Å; Q720-H871 WeakPolarHBondContact O-CB 3.2Å; L868-H871 WeakPolarHBondContact O-CB 3.38Å; L868-H871 PolarHBondContact O-N 2.03Å; R869-H871 PolarHBondContact O-N 2.98Å; H871-V873 WeakPolarHBondContact ND1-CG2 3.21Å; H871-V873 PolarHBondContact O-N 3.08Å; H871-W874 PolarHBondContact O-N 3.03Å; H871-W874 VanDerWaalsContact O-N 3.14Å; H871-R875 WeakPolarHBondContact O-CB 3.24Å; H871-R875 PolarHBondContact O-N 2.91Å
872	K	91.6	Very high	92	Very high	142 Å²	142	45.7 Å²	45.7	62%	0.617	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.4	-173.5	-66.9	177.2	-179.4	174.3	0	114.4
873	V	93.4	Very high	92.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-45.6	179.5	177.7	0	0	0	0	111.5	Q720 P838 E842 F844 H871	Q720-V873 HydrophobicContact CG-CG2 4.2Å; P838-V873 HydrophobicContact CB-CG1 3.83Å; P838-V873 HydrophobicContact CG-CG1 3.55Å; E842-V873 WeakPolarHBondContact O-CG2 3.04Å; F844-V873 HydrophobicContact CD2-CG1 4.29Å; F844-V873 HydrophobicContact CE2-CG1 4.2Å; F844-V873 PolarHBondContact N-O 3.39Å; H871-V873 WeakPolarHBondContact ND1-CG2 3.21Å; H871-V873 PolarHBondContact O-N 3.08Å
874	W	93.5	Very high	91.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-6.7	-167.3	-58.1	95.1	0	0	0	114.1	P838 F844 I849 L868 H871 K876 C877 K1085 L1086	P838-W874 HydrophobicContact CG-CH2 4.3Å; P838-W874 HydrophobicContact CG-CZ2 3.6Å; F844-W874 HydrophobicContact CD2-CD2 4.32Å; F844-W874 AromaticContact CD2-CE3 3.94Å; F844-W874 HydrophobicContact CD2-CE3 3.94Å; F844-W874 HydrophobicContact CD2-CZ3 4.11Å; F844-W874 HydrophobicContact CE2-CD2 4.1Å; F844-W874 AromaticContact CE2-CE3 3.74Å; F844-W874 HydrophobicContact CE2-CE3 3.74Å; F844-W874 AromaticContact CE2-CH2 3.68Å; F844-W874 HydrophobicContact CE2-CH2 3.68Å; F844-W874 HydrophobicContact CE2-CZ2 4.03Å; F844-W874 AromaticContact CE2-CZ3 3.52Å; F844-W874 HydrophobicContact CE2-CZ3 3.52Å; F844-W874 HydrophobicContact CZ-CH2 4.33Å; F844-W874 HydrophobicContact CZ-CZ3 4.41Å; I849-W874 HydrophobicContact CD1-CB 4.36Å; I849-W874 HydrophobicContact CD1-CE3 3.94Å; I849-W874 HydrophobicContact CG1-CE3 3.98Å; I849-W874 HydrophobicContact CG1-CZ3 4.33Å; L868-W874 HydrophobicContact CD1-CG 4.39Å; L868-W874 HydrophobicContact CD2-CD2 3.89Å; L868-W874 HydrophobicContact CD2-CE3 4.4Å; L868-W874 HydrophobicContact CD2-CG 4.1Å; L868-W874 HydrophobicContact CD2-CZ2 4.29Å; L868-W874 HydrophobicContact CG-CB 4.33Å; L868-W874 HydrophobicContact CG-CD2 4.1Å; L868-W874 HydrophobicContact CG-CG 3.75Å; H871-W874 PolarHBondContact O-N 3.03Å; H871-W874 VanDerWaalsContact O-N 3.14Å; W874-K876 PolarHBondContact O-N 3.49Å; W874-C877 WeakPolarHBondContact O-CB 3.35Å; W874-C877 PolarHBondContact O-N 3.44Å; W874-K1085 HydrophobicContact CZ3-CB 4.09Å; W874-L1086 HydrophobicContact CH2-CB 3.84Å; W874-L1086 HydrophobicContact CH2-CD2 4.27Å; W874-L1086 HydrophobicContact CZ3-CB 3.69Å; W874-L1086 HydrophobicContact CZ3-CD2 4.43Å
875	R	91.4	Very high	91.5	Very high	169 Å²	169	45.8 Å²	45.8	64%	0.638	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-27	-175.4	-174.6	177.1	63.5	164.3	3	115.9	R869 H871	R869-R875 VanDerWaalsContact O-CA 3.24Å; R869-R875 WeakPolarHBondContact O-CA 3.42Å; H871-R875 WeakPolarHBondContact O-CB 3.24Å; H871-R875 PolarHBondContact O-N 2.91Å
876	K	91.9	Very high	91	Very high	145 Å²	145	46.1 Å²	46.1	63%	0.63	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.2	177.2	-75.4	-160.2	175.9	-169.9	0	114.3	S845 W874	S845-K876 WeakPolarHBondContact O-CD 3.44Å; W874-K876 PolarHBondContact O-N 3.49Å
877	C	92.1	Very high	90.3	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.014	22%	0.22	C	C	.	.			trans	-72.9	136.7	-179.9	-58.5	0	0	0	0	110.8	G847 I849 R869 W874	G847-C877 CarbonylContact O-C 3.58Å; G847-C877 VanDerWaalsContact O-CA 3.28Å; G847-C877 WeakPolarHBondContact O-CA 3.28Å; I849-C877 HydrophobicContact CD1-CB 4.11Å; I849-C877 HydrophobicContact CG1-CB 3.93Å; R869-C877 PolarHBondContact NE-O 2.92Å; W874-C877 WeakPolarHBondContact O-CB 3.35Å; W874-C877 PolarHBondContact O-N 3.44Å
878	K	92.8	Very high	89.8	Confident	122 Å²	122	54.1 Å²	54.1	53%	0.53	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	155	165.9	-71.3	-176.5	163.3	-155.4	0	110	G847 S848 I849 E910	G847-K878 PolarHBondContact O-N 3.24Å; S848-K878 CarbonylContact C-O 3.38Å; S848-K878 WeakPolarHBondContact CA-O 3.47Å; I849-K878 PolarHBondContact N-O 3.42Å; K878-E910 IonicContact NZ-OE1 2.65Å; K878-E910 PolarHBondContact NZ-OE1 3.2Å
879	M	92.8	Very high	89.2	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.025	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.7	173.3	-172.2	166.2	123.8	0	0	109.1	I849 V851 M862 P865 I881 I907 A909 E910	I849-M879 WeakPolarHBondContact O-CA 3.42Å; V851-M879 HydrophobicContact CG2-CG 4.44Å; M862-M879 HydrophobicContact CE-CE 4.08Å; M862-M879 HydrophobicContact SD-CE 4.03Å; P865-M879 HydrophobicContact CB-CG 4.42Å; P865-M879 HydrophobicContact CB-SD 3.76Å; M879-I881 HydrophobicContact CE-CD1 4.01Å; M879-I881 HydrophobicContact CE-CG1 4.25Å; M879-I907 HydrophobicContact CE-CG2 3.65Å; M879-A909 HydrophobicContact CB-CB 3.93Å; M879-A909 HydrophobicContact CE-CB 3.91Å; M879-A909 HydrophobicContact CG-CB 3.99Å; M879-A909 CarbonylContact O-C 3.51Å; M879-A909 VanDerWaalsContact O-CA 3.24Å; M879-A909 WeakPolarHBondContact O-CA 3.33Å; M879-A909 WeakPolarHBondContact O-CB 3.28Å; M879-E910 PolarHBondContact O-N 3.22Å
880	R	94.5	Very high	88.8	Confident	66 Å²	66	54.6 Å²	54.6	25%	0.249	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.1	176.5	-56.2	-165.5	-62.2	171.9	3.1	109.2	I849 D850 V851 F882 E910 K1080	I849-R880 PolarHBondContact O-N 2.9Å; D850-R880 CarbonylContact C-O 3.55Å; D850-R880 IonicContact OD1-CZ 3.5Å; D850-R880 IonicContact OD1-NE 2.87Å; D850-R880 PolarHBondContact OD1-NE 3.37Å; D850-R880 IonicContact OD1-NH2 3.28Å; D850-R880 PolarHBondContact OD1-NH2 3.01Å; D850-R880 IonicContact OD2-CZ 3.53Å; D850-R880 IonicContact OD2-NE 3.62Å; D850-R880 IonicContact OD2-NH2 2.68Å; D850-R880 PolarHBondContact OD2-NH2 2.88Å; V851-R880 PolarHBondContact N-O 3.08Å; R880-F882 HydrophobicContact CB-CE2 3.9Å; R880-F882 HydrophobicContact CB-CZ 3.99Å; R880-E910 CarbonylContact C-O 3.57Å; R880-E910 WeakPolarHBondContact CA-O 3.45Å; R880-E910 HydrophobicContact CG-CB 4.42Å; R880-K1080 PolarHBondContact NH2-O 3.48Å
881	I	93.3	Very high	88.6	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.4	-175.2	-54	151.4	0	0	0	108.4	V851 M862 M879 T883 L898 L902 A909 E910 V911 E912	V851-I881 HydrophobicContact CB-CG1 4.42Å; V851-I881 CarbonylContact O-C 3.6Å; V851-I881 WeakPolarHBondContact O-CA 3.22Å; M862-I881 HydrophobicContact CE-CD1 3.44Å; M862-I881 VanDerWaalsContact CE-CD1 3.44Å; M862-I881 HydrophobicContact CE-CG1 4.26Å; M862-I881 HydrophobicContact SD-CD1 3.65Å; M862-I881 HydrophobicContact SD-CG1 3.79Å; M862-I881 HydrophobicContact SD-CG2 4.1Å; M879-I881 HydrophobicContact CE-CD1 4.01Å; M879-I881 HydrophobicContact CE-CG1 4.25Å; I881-T883 HydrophobicContact CG2-CG2 3.95Å; I881-L898 HydrophobicContact CG2-CD2 4.48Å; I881-L902 HydrophobicContact CD1-CD1 3.53Å; I881-A909 HydrophobicContact CD1-CB 3.47Å; I881-A909 VanDerWaalsContact CD1-CB 3.47Å; I881-A909 HydrophobicContact CG1-CB 4.2Å; I881-E910 PolarHBondContact N-O 2.74Å; I881-V911 HydrophobicContact CD1-CG2 4.06Å; I881-E912 PolarHBondContact O-N 3.21Å
882	F	93.8	Very high	88.4	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	112	177.7	-54.6	-78.7	0	0	0	108.2	D850 V851 W852 W853 R880 E912 V914 K1080	D850-F882 HydrophobicContact CB-CE2 3.96Å; V851-F882 PolarHBondContact O-N 3.47Å; W852-F882 WeakPolarHBondContact CA-O 3.41Å; W852-F882 HydrophobicContact CD2-CB 3.65Å; W852-F882 HydrophobicContact CD2-CD2 4.15Å; W852-F882 HydrophobicContact CD2-CG 4.15Å; W852-F882 AromaticContact CE2-CD2 3.58Å; W852-F882 AromaticContact CE2-CG 3.77Å; W852-F882 HydrophobicContact CE3-CB 3.64Å; W852-F882 HydrophobicContact CE3-CG 4.46Å; W852-F882 HydrophobicContact CG-CB 4.28Å; W852-F882 HydrophobicContact CG-CD2 4.4Å; W852-F882 HydrophobicContact CH2-CB 3.98Å; W852-F882 HydrophobicContact CH2-CD1 4.42Å; W852-F882 HydrophobicContact CH2-CG 4.12Å; W852-F882 HydrophobicContact CZ2-CB 3.97Å; W852-F882 HydrophobicContact CZ2-CD1 4.22Å; W852-F882 AromaticContact CZ2-CD2 3.89Å; W852-F882 HydrophobicContact CZ2-CD2 3.89Å; W852-F882 HydrophobicContact CZ2-CE2 4.47Å; W852-F882 AromaticContact CZ2-CG 3.75Å; W852-F882 HydrophobicContact CZ2-CG 3.75Å; W852-F882 HydrophobicContact CZ3-CB 3.82Å; W852-F882 HydrophobicContact CZ3-CG 4.46Å; W852-F882 AromaticContact NE1-CD2 3.53Å; W853-F882 PolarHBondContact N-O 3.17Å; R880-F882 HydrophobicContact CB-CE2 3.9Å; R880-F882 HydrophobicContact CB-CZ 3.99Å; F882-E912 WeakPolarHBondContact CA-O 3.44Å; F882-E912 HydrophobicContact CD1-CB 4.03Å; F882-E912 HydrophobicContact CE1-CB 4.31Å; F882-E912 WeakPolarHBondContact CE1-OE2 3.31Å; F882-V914 HydrophobicContact CB-CG2 4.48Å; F882-K1080 HydrophobicContact CD1-CD 4.15Å; F882-K1080 HydrophobicContact CE1-CB 4.43Å; F882-K1080 HydrophobicContact CE1-CD 3.93Å; F882-K1080 HydrophobicContact CZ-CB 4.43Å
883	T	90.1	Very high	88	Confident	4 Å²	4	51.3 Å²	51.3	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.5	-179.5	61.9	0	0	0	0	110.9	W853 I881 A885 L898 E912 V913 V914	W853-T883 HydrophobicContact CB-CG2 4.29Å; W853-T883 HydrophobicContact CD2-CG2 4.32Å; W853-T883 HydrophobicContact CE3-CG2 3.61Å; W853-T883 HydrophobicContact CZ3-CG2 4.34Å; I881-T883 HydrophobicContact CG2-CG2 3.95Å; T883-A885 PolarHBondContact O-N 3.46Å; T883-L898 HydrophobicContact CG2-CD2 3.46Å; T883-L898 VanDerWaalsContact CG2-CD2 3.46Å; T883-E912 PolarHBondContact N-O 3.05Å; T883-V913 WeakPolarHBondContact O-CA 3.45Å; T883-V914 PolarHBondContact O-N 3.01Å
884	V	86.6	Confident	87.4	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115	-176.9	-171	0	0	0	0	111.6	W852 W853 I854 V914 M916 I921 R961	W852-V884 HydrophobicContact CE3-CG2 4.46Å; W853-V884 PolarHBondContact O-N 3.16Å; I854-V884 HydrophobicContact CB-CG2 4.47Å; I854-V884 HydrophobicContact CG1-CG2 3.99Å; I854-V884 HydrophobicContact CG2-CB 4.45Å; I854-V884 HydrophobicContact CG2-CG2 4.38Å; V884-V914 WeakPolarHBondContact CA-O 3.49Å; V884-M916 HydrophobicContact CG1-CB 3.98Å; V884-M916 HydrophobicContact CG1-CG 3.93Å; V884-M916 HydrophobicContact CG1-SD 3.86Å; V884-I921 HydrophobicContact CG1-CG2 3.81Å; V884-R961 PolarHBondContact O-NH1 3.33Å; V884-R961 PolarHBondContact O-NH2 2.94Å
885	A	83.9	Confident	87.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	148.8	173.7	0	0	0	0	0	110.6	T883 D889 M894 V913 V914 E915 M916	T883-A885 PolarHBondContact O-N 3.46Å; A885-D889 HydrophobicContact CB-CB 4.23Å; A885-M894 HydrophobicContact CB-CE 4.2Å; A885-M894 HydrophobicContact CB-SD 4.44Å; A885-V913 HydrophobicContact CB-CG1 3.5Å; A885-V914 PolarHBondContact N-O 3.43Å; A885-E915 HydrophobicContact CB-CG 4.41Å; A885-E915 WeakPolarHBondContact O-CA 3.32Å; A885-M916 PolarHBondContact O-N 3.04Å
886	Q	81.4	Confident	87	Confident	9 Å²	9	54 Å²	54	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	159.8	168.3	-61.6	175.5	-126.2	0	0	109.1	D888 D889 I921	Q886-D888 WeakPolarHBondContact CB-OD1 3.45Å; Q886-D888 PolarHBondContact O-N 2.72Å; Q886-D888 VanDerWaalsContact O-N 3.11Å; Q886-D889 WeakPolarHBondContact CB-OD2 3.39Å; Q886-D889 PolarHBondContact N-OD2 2.9Å; Q886-D889 WeakPolarHBondContact O-CB 3.32Å; Q886-D889 PolarHBondContact O-N 2.89Å; Q886-I921 HydrophobicContact CG-CD1 3.55Å
887	M	77.5	Confident	86.7	Confident	131 Å²	131	49 Å²	49	65%	0.645	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.4	179.3	-67.7	-67.8	-165.3	0	0	114	E915	M887-E915 HydrophobicContact SD-CB 4.36Å
888	D	79.6	Confident	86.4	Confident	103 Å²	103	49 Å²	49	55%	0.551	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-4.7	175.7	59.2	-53.6	0	0	0	114.2	Q886 I964	Q886-D888 WeakPolarHBondContact CB-OD1 3.45Å; Q886-D888 PolarHBondContact O-N 2.72Å; Q886-D888 VanDerWaalsContact O-N 3.11Å; D888-I964 VanDerWaalsContact O-CD1 3.23Å; D888-I964 WeakPolarHBondContact O-CD1 3.47Å
889	D	79.8	Confident	86.2	Confident	16 Å²	16	46.6 Å²	46.6	9%	0.086	23%	0.231	C	C	.	.	S	Bend	trans	-87.7	145.8	174.3	-66.5	-57.8	0	0	0	111.9	A885 Q886 S891 M894 R961	A885-D889 HydrophobicContact CB-CB 4.23Å; Q886-D889 WeakPolarHBondContact CB-OD2 3.39Å; Q886-D889 PolarHBondContact N-OD2 2.9Å; Q886-D889 WeakPolarHBondContact O-CB 3.32Å; Q886-D889 PolarHBondContact O-N 2.89Å; D889-S891 PolarHBondContact O-N 2.98Å; D889-M894 HydrophobicContact CB-CE 3.89Å; D889-R961 VanDerWaalsContact CG-NE 3.34Å; D889-R961 VanDerWaalsContact OD1-CB 3.24Å; D889-R961 WeakPolarHBondContact OD1-CB 3.28Å; D889-R961 WeakPolarHBondContact OD1-CG 3.48Å; D889-R961 IonicContact OD1-NE 3.1Å; D889-R961 PolarHBondContact OD1-NE 3.49Å; D889-R961 VanDerWaalsContact OD1-NE 3.16Å; D889-R961 IonicContact OD2-CZ 3.45Å; D889-R961 IonicContact OD2-NE 2.68Å; D889-R961 PolarHBondContact OD2-NE 3.14Å; D889-R961 IonicContact OD2-NH2 2.67Å; D889-R961 PolarHBondContact OD2-NH2 3.27Å
890	N	85.1	Confident	85.9	Confident	70 Å²	70	49.3 Å²	49.3	37%	0.374	25%	0.248	S	C	.	.			trans	-78.5	88.9	172	-172.4	-22.6	0	0	0	111.4	I892 Q893 M894 I964	N890-I892 VanDerWaalsContact C-N 3.35Å; N890-I892 PolarHBondContact O-N 3.28Å; N890-I892 PolarHBondContact OD1-N 2.84Å; N890-Q893 HydrophobicContact CB-CB 4.04Å; N890-Q893 PolarHBondContact O-N 2.91Å; N890-Q893 WeakPolarHBondContact OD1-CB 3.34Å; N890-Q893 PolarHBondContact OD1-N 3.37Å; N890-M894 WeakPolarHBondContact O-CB 3.33Å; N890-M894 PolarHBondContact O-N 3.34Å; N890-I964 HydrophobicContact CB-CD1 4.18Å
891	S	84.9	Confident	85.3	Confident	19 Å²	19	46.7 Å²	46.7	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-38.6	-179.1	61.1	0	0	0	0	114	D889 M894 K895 E915	D889-S891 PolarHBondContact O-N 2.98Å; S891-M894 PolarHBondContact O-N 3.05Å; S891-K895 WeakPolarHBondContact O-CB 3.42Å; S891-K895 PolarHBondContact O-N 3.24Å; S891-E915 WeakPolarHBondContact CB-OE1 3.13Å; S891-E915 PolarHBondContact OG-OE1 3.34Å
892	I	86.1	Confident	85	Confident	135 Å²	135	47 Å²	47	69%	0.692	24%	0.239	S	C	*	.	H	α-helix	trans	-65.1	-46.8	179.4	-60.3	173.1	0	0	0	110.5	N890 K895 K896	N890-I892 VanDerWaalsContact C-N 3.35Å; N890-I892 PolarHBondContact O-N 3.28Å; N890-I892 PolarHBondContact OD1-N 2.84Å; I892-K895 PolarHBondContact O-N 2.93Å; I892-K896 PolarHBondContact O-N 3.21Å; I892-K896 VanDerWaalsContact O-N 3.11Å
893	Q	82.9	Confident	84.7	Confident	71 Å²	71	55.4 Å²	55.4	33%	0.332	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-45.6	177.7	-177.9	58.6	28.7	0	0	110.8	N890 K895 K896 D897	N890-Q893 HydrophobicContact CB-CB 4.04Å; N890-Q893 PolarHBondContact O-N 2.91Å; N890-Q893 WeakPolarHBondContact OD1-CB 3.34Å; N890-Q893 PolarHBondContact OD1-N 3.37Å; Q893-K895 VanDerWaalsContact C-N 3.3Å; Q893-K895 PolarHBondContact O-N 2.88Å; Q893-K896 WeakPolarHBondContact O-CB 3.48Å; Q893-K896 PolarHBondContact O-N 3.33Å; Q893-K896 VanDerWaalsContact O-N 3.07Å; Q893-D897 WeakPolarHBondContact CG-OD2 3.14Å; Q893-D897 PolarHBondContact NE2-OD1 2.73Å; Q893-D897 PolarHBondContact NE2-OD2 2.72Å; Q893-D897 VanDerWaalsContact O-CG 3.28Å; Q893-D897 PolarHBondContact O-N 3.05Å
894	M	81.6	Confident	84.2	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-56.6	-42.1	175.9	-168.5	-175.2	-56.1	0	0	112.2	A885 D889 N890 S891 L898 T957 R961	A885-M894 HydrophobicContact CB-CE 4.2Å; A885-M894 HydrophobicContact CB-SD 4.44Å; D889-M894 HydrophobicContact CB-CE 3.89Å; N890-M894 WeakPolarHBondContact O-CB 3.33Å; N890-M894 PolarHBondContact O-N 3.34Å; S891-M894 PolarHBondContact O-N 3.05Å; M894-L898 VanDerWaalsContact O-CB 3.31Å; M894-L898 WeakPolarHBondContact O-CB 3.46Å; M894-L898 PolarHBondContact O-N 3.45Å; M894-T957 HydrophobicContact CG-CG2 4.33Å; M894-R961 HydrophobicContact CE-CG 3.6Å
895	K	88.6	Confident	83.9	Confident	92 Å²	92	63.3 Å²	63.3	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-44	175.1	-172.1	165.8	-179.7	165.7	0	112.1	S891 I892 Q893 T899 V911 V913	S891-K895 WeakPolarHBondContact O-CB 3.42Å; S891-K895 PolarHBondContact O-N 3.24Å; I892-K895 PolarHBondContact O-N 2.93Å; Q893-K895 VanDerWaalsContact C-N 3.3Å; Q893-K895 PolarHBondContact O-N 2.88Å; K895-T899 WeakPolarHBondContact O-CB 3.13Å; K895-T899 PolarHBondContact O-N 3.46Å; K895-T899 PolarHBondContact O-OG1 2.95Å; K895-V911 WeakPolarHBondContact CE-O 3.22Å; K895-V911 HydrophobicContact CG-CG1 4.27Å; K895-V911 PolarHBondContact NZ-O 3.37Å; K895-V913 HydrophobicContact CB-CG2 3.66Å; K895-V913 HydrophobicContact CG-CG2 4.28Å
896	K	88.1	Confident	84	Confident	133 Å²	133	74 Å²	74	58%	0.578	35%	0.35	S	S	*	.	H	α-helix	trans	-66.3	-46.3	179.7	-176.1	-175.4	174.9	-171.6	0	111.6	I892 Q893 T899 T900	I892-K896 PolarHBondContact O-N 3.21Å; I892-K896 VanDerWaalsContact O-N 3.11Å; Q893-K896 WeakPolarHBondContact O-CB 3.48Å; Q893-K896 PolarHBondContact O-N 3.33Å; Q893-K896 VanDerWaalsContact O-N 3.07Å; K896-T899 PolarHBondContact O-N 2.78Å; K896-T900 WeakPolarHBondContact O-CB 3.4Å; K896-T900 PolarHBondContact O-N 2.86Å; K896-T900 PolarHBondContact O-OG1 3.46Å
897	D	85.1	Confident	84.2	Confident	38 Å²	38	74 Å²	74	20%	0.203	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-47.9	179.7	-67.6	-24.6	0	0	0	110.7	Q893 T899 T900 F901 I956 S960	Q893-D897 WeakPolarHBondContact CG-OD2 3.14Å; Q893-D897 PolarHBondContact NE2-OD1 2.73Å; Q893-D897 PolarHBondContact NE2-OD2 2.72Å; Q893-D897 VanDerWaalsContact O-CG 3.28Å; Q893-D897 PolarHBondContact O-N 3.05Å; D897-T899 PolarHBondContact O-N 3.01Å; D897-T900 PolarHBondContact O-N 3.05Å; D897-F901 WeakPolarHBondContact O-CB 3.41Å; D897-F901 PolarHBondContact O-N 2.69Å; D897-I956 HydrophobicContact CB-CG2 4.03Å; D897-S960 PolarHBondContact OD2-OG 3.44Å
898	L	86.3	Confident	84.7	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-66	-37.3	179.2	-167.7	61.7	0	0	0	112.9	W853 I881 T883 M894 L902 V911 I953	W853-L898 HydrophobicContact CE3-CD2 4.5Å; W853-L898 HydrophobicContact CZ3-CD1 3.93Å; W853-L898 HydrophobicContact CZ3-CD2 4.27Å; I881-L898 HydrophobicContact CG2-CD2 4.48Å; T883-L898 HydrophobicContact CG2-CD2 3.46Å; T883-L898 VanDerWaalsContact CG2-CD2 3.46Å; M894-L898 VanDerWaalsContact O-CB 3.31Å; M894-L898 WeakPolarHBondContact O-CB 3.46Å; M894-L898 PolarHBondContact O-N 3.45Å; L898-L902 HydrophobicContact CG-CD1 4.32Å; L898-L902 VanDerWaalsContact O-CG 3.27Å; L898-L902 WeakPolarHBondContact O-CG 3.39Å; L898-L902 PolarHBondContact O-N 3.49Å; L898-L902 VanDerWaalsContact O-N 3.07Å; L898-V911 HydrophobicContact CB-CG1 4.42Å; L898-V911 HydrophobicContact CD2-CG1 3.85Å; L898-V911 HydrophobicContact CD2-CG2 4.33Å; L898-V911 HydrophobicContact CG-CG1 4.35Å; L898-V911 HydrophobicContact CG-CG2 4.31Å; L898-I953 HydrophobicContact CD1-CD1 3.56Å; L898-I953 HydrophobicContact CD1-CG1 3.75Å
899	T	88.6	Confident	85.2	Confident	70 Å²	70	69 Å²	69	43%	0.429	33%	0.334	S	S	.	.	H	α-helix	trans	-64.8	-41.8	174.3	-56.5	0	0	0	0	111.2	K895 K896 D897 L902 Y903	K895-T899 WeakPolarHBondContact O-CB 3.13Å; K895-T899 PolarHBondContact O-N 3.46Å; K895-T899 PolarHBondContact O-OG1 2.95Å; K896-T899 PolarHBondContact O-N 2.78Å; D897-T899 PolarHBondContact O-N 3.01Å; T899-L902 PolarHBondContact O-N 2.91Å; T899-Y903 PolarHBondContact O-N 2.9Å
900	T	85.9	Confident	85.7	Confident	62 Å²	62	72.6 Å²	72.6	38%	0.38	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-43.7	178.5	-54	0	0	0	0	111.1	K896 D897 L902 Y903 H904	K896-T900 WeakPolarHBondContact O-CB 3.4Å; K896-T900 PolarHBondContact O-N 2.86Å; K896-T900 PolarHBondContact O-OG1 3.46Å; D897-T900 PolarHBondContact O-N 3.05Å; T900-L902 PolarHBondContact O-N 3.17Å; T900-Y903 WeakPolarHBondContact O-CB 3.01Å; T900-Y903 PolarHBondContact O-N 3.44Å; T900-H904 PolarHBondContact O-CD2 3.26Å; T900-H904 PolarHBondContact O-N 2.95Å
901	F	82.9	Confident	86.1	Confident	12 Å²	12	70.2 Å²	70.2	5%	0.053	34%	0.338	C	S	.	.	H	α-helix	trans	-56.2	-47	174	-179.9	-100	0	0	0	112.4	D897 Y903 H904 L905 R951 I953 I956	D897-F901 WeakPolarHBondContact O-CB 3.41Å; D897-F901 PolarHBondContact O-N 2.69Å; F901-Y903 VanDerWaalsContact C-N 3.35Å; F901-Y903 PolarHBondContact O-N 3.2Å; F901-H904 PolarHBondContact O-N 2.85Å; F901-L905 HydrophobicContact CD1-CD1 3.88Å; F901-L905 HydrophobicContact CE1-CD1 3.24Å; F901-L905 HydrophobicContact CE1-CG 4.24Å; F901-L905 HydrophobicContact CE2-CD1 4.36Å; F901-L905 HydrophobicContact CZ-CD1 3.54Å; F901-L905 HydrophobicContact CZ-CG 4.35Å; F901-L905 PolarHBondContact O-N 3.26Å; F901-R951 WeakPolarHBondContact CE2-O 3.43Å; F901-R951 WeakPolarHBondContact CZ-O 3.24Å; F901-I953 HydrophobicContact CD1-CB 4.31Å; F901-I953 HydrophobicContact CD1-CD1 3.81Å; F901-I953 HydrophobicContact CD1-CG1 3.69Å; F901-I953 HydrophobicContact CE1-CB 3.52Å; F901-I953 HydrophobicContact CE1-CD1 3.48Å; F901-I953 VanDerWaalsContact CE1-CD1 3.48Å; F901-I953 HydrophobicContact CE1-CG1 3.36Å; F901-I953 HydrophobicContact CE2-CB 4.35Å; F901-I953 HydrophobicContact CG-CG1 4.45Å; F901-I953 HydrophobicContact CZ-CB 3.54Å; F901-I953 HydrophobicContact CZ-CD1 4.39Å; F901-I953 HydrophobicContact CZ-CG1 3.87Å; F901-I956 HydrophobicContact CB-CD1 4.48Å; F901-I956 HydrophobicContact CD2-CD1 3.24Å; F901-I956 HydrophobicContact CE2-CD1 3.63Å; F901-I956 HydrophobicContact CG-CD1 4.12Å
902	L	86.8	Confident	86.4	Confident	6 Å²	6	72.9 Å²	72.9	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-69.9	-32.5	-179.6	-67.3	168.2	0	0	0	113.2	M862 I881 L898 T899 T900 L905 R906 I907 V911	M862-L902 HydrophobicContact CE-CD1 3.87Å; M862-L902 HydrophobicContact CE-CD2 3.17Å; M862-L902 HydrophobicContact CE-CG 4.05Å; I881-L902 HydrophobicContact CD1-CD1 3.53Å; L898-L902 HydrophobicContact CG-CD1 4.32Å; L898-L902 VanDerWaalsContact O-CG 3.27Å; L898-L902 WeakPolarHBondContact O-CG 3.39Å; L898-L902 PolarHBondContact O-N 3.49Å; L898-L902 VanDerWaalsContact O-N 3.07Å; T899-L902 PolarHBondContact O-N 2.91Å; T900-L902 PolarHBondContact O-N 3.17Å; L902-L905 CarbonylContact O-C 3.57Å; L902-L905 PolarHBondContact O-N 3.37Å; L902-R906 PolarHBondContact O-N 2.71Å; L902-I907 HydrophobicContact CD2-CB 3.83Å; L902-I907 HydrophobicContact CD2-CD1 4.08Å; L902-I907 HydrophobicContact CD2-CG1 4.49Å; L902-I907 HydrophobicContact CD2-CG2 3.93Å; L902-I907 PolarHBondContact O-N 3.43Å; L902-V911 HydrophobicContact CD1-CG2 3.58Å
903	Y	86.4	Confident	86.6	Confident	185 Å²	185	67.5 Å²	67.5	73%	0.725	32%	0.322	S	S	*	.	H	α-helix	trans	-61.3	-46.1	170	179.4	-101.4	0	0	0	111.6	T899 T900 F901 L905 R906	T899-Y903 PolarHBondContact O-N 2.9Å; T900-Y903 WeakPolarHBondContact O-CB 3.01Å; T900-Y903 PolarHBondContact O-N 3.44Å; F901-Y903 VanDerWaalsContact C-N 3.35Å; F901-Y903 PolarHBondContact O-N 3.2Å; Y903-L905 VanDerWaalsContact C-N 3.32Å; Y903-L905 PolarHBondContact O-N 3.43Å; Y903-R906 PolarHBondContact O-N 3.11Å
904	H	80.9	Confident	86.9	Confident	138 Å²	138	64.9 Å²	64.9	64%	0.639	31%	0.311	S	S	*	.	H	α-helix	trans	-62	-36.5	175.2	-70.6	-59.6	0	0	0	113.2	T900 F901 R906	T900-H904 PolarHBondContact O-CD2 3.26Å; T900-H904 PolarHBondContact O-N 2.95Å; F901-H904 PolarHBondContact O-N 2.85Å; H904-R906 VanDerWaalsContact C-N 3.3Å
905	L	78.8	Confident	87.2	Confident	32 Å²	32	69.6 Å²	69.6	17%	0.168	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.6	173.8	-66	-178.5	0	0	0	114.4	F901 L902 Y903 I907 Y1132	F901-L905 HydrophobicContact CD1-CD1 3.88Å; F901-L905 HydrophobicContact CE1-CD1 3.24Å; F901-L905 HydrophobicContact CE1-CG 4.24Å; F901-L905 HydrophobicContact CE2-CD1 4.36Å; F901-L905 HydrophobicContact CZ-CD1 3.54Å; F901-L905 HydrophobicContact CZ-CG 4.35Å; F901-L905 PolarHBondContact O-N 3.26Å; L902-L905 CarbonylContact O-C 3.57Å; L902-L905 PolarHBondContact O-N 3.37Å; Y903-L905 VanDerWaalsContact C-N 3.32Å; Y903-L905 PolarHBondContact O-N 3.43Å; L905-I907 HydrophobicContact CB-CD1 3.91Å; L905-I907 HydrophobicContact CB-CG1 3.88Å; L905-I907 HydrophobicContact CD1-CD1 3.89Å; L905-I907 PolarHBondContact O-N 2.74Å; L905-Y1132 HydrophobicContact CD1-CD2 3.43Å; L905-Y1132 VanDerWaalsContact CD1-CD2 3.43Å; L905-Y1132 HydrophobicContact CD1-CE2 3.51Å; L905-Y1132 HydrophobicContact CD1-CG 4.1Å; L905-Y1132 HydrophobicContact CD2-CD2 3.82Å; L905-Y1132 HydrophobicContact CD2-CE2 4.36Å; L905-Y1132 HydrophobicContact CG-CD2 4.23Å
906	R	86	Confident	86.9	Confident	224 Å²	224	65.8 Å²	65.8	85%	0.845	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	24.1	-174	-52.3	177.8	177.6	178.8	-2.4	114.1	L902 Y903 H904 T908	L902-R906 PolarHBondContact O-N 2.71Å; Y903-R906 PolarHBondContact O-N 3.11Å; H904-R906 VanDerWaalsContact C-N 3.3Å; R906-T908 PolarHBondContact O-N 2.96Å
907	I	87	Confident	86.5	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.051	31%	0.313	C	S	.	.			trans	-83.8	112.6	178.7	-64	177.1	0	0	0	108.7	F866 M879 L902 L905 A909 Y1132	F866-I907 HydrophobicContact CD2-CD1 4.26Å; F866-I907 HydrophobicContact CD2-CG1 3.97Å; F866-I907 HydrophobicContact CE2-CG1 4.07Å; M879-I907 HydrophobicContact CE-CG2 3.65Å; L902-I907 HydrophobicContact CD2-CB 3.83Å; L902-I907 HydrophobicContact CD2-CD1 4.08Å; L902-I907 HydrophobicContact CD2-CG1 4.49Å; L902-I907 HydrophobicContact CD2-CG2 3.93Å; L902-I907 PolarHBondContact O-N 3.43Å; L905-I907 HydrophobicContact CB-CD1 3.91Å; L905-I907 HydrophobicContact CB-CG1 3.88Å; L905-I907 HydrophobicContact CD1-CD1 3.89Å; L905-I907 PolarHBondContact O-N 2.74Å; I907-A909 HydrophobicContact CG2-CB 4.4Å; I907-A909 PolarHBondContact O-N 2.94Å; I907-Y1132 HydrophobicContact CD1-CD1 3.94Å; I907-Y1132 HydrophobicContact CD1-CG 3.97Å
908	T	87.3	Confident	85.8	Confident	97 Å²	97	67.9 Å²	67.9	60%	0.595	33%	0.327	S	S	*	.			trans	-81.9	98.9	178.1	46.7	0	0	0	0	111	R869 R906	R869-T908 PolarHBondContact NH1-O 3.2Å; R869-T908 PolarHBondContact NH1-OG1 3.06Å; R869-T908 PolarHBondContact NH2-OG1 3.49Å; R906-T908 PolarHBondContact O-N 2.96Å
909	A	89.5	Confident	85	Confident	31 Å²	31	70.2 Å²	70.2	26%	0.256	34%	0.343	S	S	.	.			trans	-144	154.3	177.8	0	0	0	0	0	112.1	M879 I881 I907	M879-A909 HydrophobicContact CB-CB 3.93Å; M879-A909 HydrophobicContact CE-CB 3.91Å; M879-A909 HydrophobicContact CG-CB 3.99Å; M879-A909 CarbonylContact O-C 3.51Å; M879-A909 VanDerWaalsContact O-CA 3.24Å; M879-A909 WeakPolarHBondContact O-CA 3.33Å; M879-A909 WeakPolarHBondContact O-CB 3.28Å; I881-A909 HydrophobicContact CD1-CB 3.47Å; I881-A909 VanDerWaalsContact CD1-CB 3.47Å; I881-A909 HydrophobicContact CG1-CB 4.2Å; I907-A909 HydrophobicContact CG2-CB 4.4Å; I907-A909 PolarHBondContact O-N 2.94Å
910	E	91.3	Very high	84.4	Confident	93 Å²	93	67.5 Å²	67.5	44%	0.435	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.2	175.1	-66.1	164.7	-168.4	0	0	108.4	K878 M879 R880 I881	K878-E910 IonicContact NZ-OE1 2.65Å; K878-E910 PolarHBondContact NZ-OE1 3.2Å; M879-E910 PolarHBondContact O-N 3.22Å; R880-E910 CarbonylContact C-O 3.57Å; R880-E910 WeakPolarHBondContact CA-O 3.45Å; R880-E910 HydrophobicContact CG-CB 4.42Å; I881-E910 PolarHBondContact N-O 2.74Å
911	V	92.3	Very high	83.8	Confident	20 Å²	20	64.5 Å²	64.5	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.6	-178.5	174.6	0	0	0	0	111.3	I881 K895 L898 L902	I881-V911 HydrophobicContact CD1-CG2 4.06Å; K895-V911 WeakPolarHBondContact CE-O 3.22Å; K895-V911 HydrophobicContact CG-CG1 4.27Å; K895-V911 PolarHBondContact NZ-O 3.37Å; L898-V911 HydrophobicContact CB-CG1 4.42Å; L898-V911 HydrophobicContact CD2-CG1 3.85Å; L898-V911 HydrophobicContact CD2-CG2 4.33Å; L898-V911 HydrophobicContact CG-CG1 4.35Å; L898-V911 HydrophobicContact CG-CG2 4.31Å; L902-V911 HydrophobicContact CD1-CG2 3.58Å
912	E	92.5	Very high	83.1	Confident	74 Å²	74	64.9 Å²	64.9	35%	0.346	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139	168.9	-152.8	-169.4	172.2	0	0	110.9	I881 F882 T883 K1080	I881-E912 PolarHBondContact O-N 3.21Å; F882-E912 WeakPolarHBondContact CA-O 3.44Å; F882-E912 HydrophobicContact CD1-CB 4.03Å; F882-E912 HydrophobicContact CE1-CB 4.31Å; F882-E912 WeakPolarHBondContact CE1-OE2 3.31Å; T883-E912 PolarHBondContact N-O 3.05Å; E912-K1080 IonicContact OE1-NZ 2.73Å; E912-K1080 PolarHBondContact OE1-NZ 3.47Å; E912-K1080 IonicContact OE2-NZ 3.67Å; E912-K1080 PolarHBondContact OE2-NZ 3.01Å
913	V	89.9	Confident	82.1	Confident	23 Å²	23	65 Å²	65	14%	0.139	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.3	173.6	-177.2	0	0	0	0	107.5	T883 A885 K895	T883-V913 WeakPolarHBondContact O-CA 3.45Å; A885-V913 HydrophobicContact CB-CG1 3.5Å; K895-V913 HydrophobicContact CB-CG2 3.66Å; K895-V913 HydrophobicContact CG-CG2 4.28Å
914	V	89.6	Confident	81.3	Confident	16 Å²	16	56.5 Å²	56.5	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.6	179.3	-176.7	0	0	0	0	108	W852 F882 T883 V884 A885 M916 V1076	W852-V914 HydrophobicContact CH2-CG2 4.25Å; W852-V914 HydrophobicContact CZ3-CG2 4.14Å; F882-V914 HydrophobicContact CB-CG2 4.48Å; T883-V914 PolarHBondContact O-N 3.01Å; V884-V914 WeakPolarHBondContact CA-O 3.49Å; A885-V914 PolarHBondContact N-O 3.43Å; V914-M916 HydrophobicContact CG1-CG 4.26Å; V914-V1076 HydrophobicContact CG1-CG1 3.9Å
915	E	86.7	Confident	80.7	Confident	101 Å²	101	50.9 Å²	50.9	47%	0.472	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.8	178.7	-69.3	168.1	-174.2	0	0	110	A885 M887 S891	A885-E915 HydrophobicContact CB-CG 4.41Å; A885-E915 WeakPolarHBondContact O-CA 3.32Å; M887-E915 HydrophobicContact SD-CB 4.36Å; S891-E915 WeakPolarHBondContact CB-OE1 3.13Å; S891-E915 PolarHBondContact OG-OE1 3.34Å
916	M	83.1	Confident	79.9	Confident	13 Å²	13	56.3 Å²	56.3	6%	0.064	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.3	179.1	-65.1	-170.3	72.2	0	0	111.4	V884 A885 V914 D920 I921 L1073	V884-M916 HydrophobicContact CG1-CB 3.98Å; V884-M916 HydrophobicContact CG1-CG 3.93Å; V884-M916 HydrophobicContact CG1-SD 3.86Å; A885-M916 PolarHBondContact O-N 3.04Å; V914-M916 HydrophobicContact CG1-CG 4.26Å; M916-D920 HydrophobicContact CE-CB 3.96Å; M916-I921 HydrophobicContact CB-CG2 4.19Å; M916-I921 HydrophobicContact SD-CG2 4.35Å; M916-L1073 HydrophobicContact CE-CB 4.47Å; M916-L1073 HydrophobicContact CE-CD1 3.99Å; M916-L1073 HydrophobicContact SD-CD1 3.81Å
917	H	79.6	Confident	78.6	Confident	109 Å²	109	49.1 Å²	49.1	51%	0.505	25%	0.251	S	S	.	.			trans	-76.8	147.9	175.8	-167.3	-104.7	0	0	0	111.1	S919 D920	H917-S919 VanDerWaalsContact C-N 3.27Å; H917-S919 PolarHBondContact ND1-OG 3.07Å; H917-S919 PolarHBondContact O-N 3.38Å; H917-D920 WeakPolarHBondContact O-CA 3.24Å; H917-D920 WeakPolarHBondContact O-CB 3.31Å; H917-D920 PolarHBondContact O-N 3.2Å
918	E	70.4	Confident	77.5	Confident	106 Å²	106	50.6 Å²	50.6	50%	0.495	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-61.2	-32.9	-173	-176.7	166.6	-143	0	0	113.5	D920 I921 S922	E918-D920 PolarHBondContact O-N 3.18Å; E918-D920 VanDerWaalsContact O-N 3.12Å; E918-I921 PolarHBondContact O-N 2.97Å; E918-S922 PolarHBondContact O-N 3.48Å
919	S	70.5	Confident	76.1	Confident	52 Å²	52	51.4 Å²	51.4	36%	0.364	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-53.7	-32	172	55.5	0	0	0	0	113.2	H917 S922 T1069	H917-S919 VanDerWaalsContact C-N 3.27Å; H917-S919 PolarHBondContact ND1-OG 3.07Å; H917-S919 PolarHBondContact O-N 3.38Å; S919-S922 PolarHBondContact O-OG 3.44Å; S919-T1069 PolarHBondContact O-OG1 2.74Å
920	D	74.2	Confident	74.8	Confident	13 Å²	13	55.2 Å²	55.2	7%	0.07	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-95.8	-0.1	-169.1	-55.5	-4.1	0	0	0	111.5	M916 H917 E918 T1069 R1072	M916-D920 HydrophobicContact CE-CB 3.96Å; H917-D920 WeakPolarHBondContact O-CA 3.24Å; H917-D920 WeakPolarHBondContact O-CB 3.31Å; H917-D920 PolarHBondContact O-N 3.2Å; E918-D920 PolarHBondContact O-N 3.18Å; E918-D920 VanDerWaalsContact O-N 3.12Å; D920-T1069 VanDerWaalsContact C-CG2 3.47Å; D920-T1069 VanDerWaalsContact O-CG2 3.31Å; D920-T1069 WeakPolarHBondContact O-CG2 3.45Å; D920-R1072 IonicContact OD1-NH1 2.74Å; D920-R1072 PolarHBondContact OD1-NH1 3.16Å; D920-R1072 WeakPolarHBondContact OD2-CD 3.41Å; D920-R1072 IonicContact OD2-CZ 3.82Å; D920-R1072 IonicContact OD2-NE 3.5Å; D920-R1072 IonicContact OD2-NH1 2.83Å; D920-R1072 PolarHBondContact OD2-NH1 3Å
921	I	74.6	Confident	73.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	6.8	169.7	63	167	0	0	0	113.8	V884 Q886 M916 E918 A923 Y924 T925	V884-I921 HydrophobicContact CG1-CG2 3.81Å; Q886-I921 HydrophobicContact CG-CD1 3.55Å; M916-I921 HydrophobicContact CB-CG2 4.19Å; M916-I921 HydrophobicContact SD-CG2 4.35Å; E918-I921 PolarHBondContact O-N 2.97Å; I921-A923 PolarHBondContact O-N 3.07Å; I921-Y924 PolarHBondContact O-N 2.93Å; I921-T925 HydrophobicContact CD1-CG2 3.49Å; I921-T925 VanDerWaalsContact CD1-CG2 3.49Å; I921-T925 HydrophobicContact CG1-CG2 3.81Å; I921-T925 PolarHBondContact O-N 3.1Å
922	S	68.9	Low	72.2	Confident	20 Å²	20	55.7 Å²	55.7	14%	0.14	28%	0.283	C	S	.	.	H	α-helix	trans	-55.1	-23.4	-170	59.8	0	0	0	0	116.2	E918 S919 Y924	E918-S922 PolarHBondContact O-N 3.48Å; S919-S922 PolarHBondContact O-OG 3.44Å; S922-Y924 VanDerWaalsContact C-N 3.28Å; S922-Y924 PolarHBondContact O-N 3.41Å
923	A	65.6	Low	71	Confident	8 Å²	8	58.1 Å²	58.1	7%	0.066	30%	0.295	C	S	.	.	H	α-helix	trans	-70	-20.1	173.9	0	0	0	0	0	114	I921 F1107	I921-A923 PolarHBondContact O-N 3.07Å; A923-F1107 HydrophobicContact CB-CE2 4Å; A923-F1107 HydrophobicContact CB-CZ 3.73Å
924	Y	69.6	Low	69.9	Low	6 Å²	6	62.3 Å²	62.3	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-105.8	-27.3	-178.6	-64.8	-87.2	0	0	0	113.1	I854 H856 I921 S922 L1073 N1090 P1092 L1111	I854-Y924 HydrophobicContact CB-CD1 4.35Å; I854-Y924 HydrophobicContact CB-CE1 4.38Å; I854-Y924 HydrophobicContact CB-CG 4.43Å; I854-Y924 HydrophobicContact CD1-CE1 4.44Å; I854-Y924 HydrophobicContact CD1-CE2 4.07Å; I854-Y924 HydrophobicContact CG2-CD1 4.15Å; I854-Y924 HydrophobicContact CG2-CD2 3.69Å; I854-Y924 HydrophobicContact CG2-CE1 4.47Å; I854-Y924 HydrophobicContact CG2-CE2 4.05Å; I854-Y924 HydrophobicContact CG2-CG 3.73Å; H856-Y924 PolarHBondContact NE2-O 3.37Å; I921-Y924 PolarHBondContact O-N 2.93Å; S922-Y924 VanDerWaalsContact C-N 3.28Å; S922-Y924 PolarHBondContact O-N 3.41Å; Y924-L1073 HydrophobicContact CE2-CD2 3.89Å; Y924-N1090 WeakPolarHBondContact CD1-ND2 3.43Å; Y924-N1090 WeakPolarHBondContact CE1-ND2 3.48Å; Y924-N1090 VanDerWaalsContact CE1-O 3.31Å; Y924-N1090 WeakPolarHBondContact CE1-O 3.2Å; Y924-N1090 PolarHBondContact OH-O 2.84Å; Y924-P1092 HydrophobicContact CD1-CB 4.18Å; Y924-P1092 HydrophobicContact CE1-CB 3.93Å; Y924-P1092 HydrophobicContact CE1-CG 4.35Å; Y924-L1111 WeakPolarHBondContact OH-CD2 3.4Å
925	T	66.4	Low	68.9	Low	20 Å²	20	63.5 Å²	63.5	12%	0.123	32%	0.316	C	S	.	.	H	α-helix	trans	-79.1	-27.3	179	54.6	0	0	0	0	113.4	I921 E927 K928	I921-T925 HydrophobicContact CD1-CG2 3.49Å; I921-T925 VanDerWaalsContact CD1-CG2 3.49Å; I921-T925 HydrophobicContact CG1-CG2 3.81Å; I921-T925 PolarHBondContact O-N 3.1Å; T925-E927 VanDerWaalsContact C-N 3.32Å; T925-E927 PolarHBondContact O-N 2.96Å; T925-K928 WeakPolarHBondContact O-CB 3.19Å; T925-K928 PolarHBondContact O-N 3.26Å
926	Y	62.5	Low	68.1	Low	146 Å²	146	61.3 Å²	61.3	57%	0.573	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.7	-177.3	-175.9	-97.8	0	0	0	114.3
927	E	60	Low	67.5	Low	74 Å²	74	65.4 Å²	65.4	35%	0.346	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.2	-180	-56.8	-170.1	138.3	0	0	113	T925 T929 V931 G1093	T925-E927 VanDerWaalsContact C-N 3.32Å; T925-E927 PolarHBondContact O-N 2.96Å; E927-T929 PolarHBondContact O-N 3.29Å; E927-V931 WeakPolarHBondContact O-CG2 3.37Å; E927-V931 PolarHBondContact O-N 2.98Å; E927-G1093 WeakPolarHBondContact OE2-CA 3.43Å
928	K	63	Low	67.1	Low	41 Å²	41	62.7 Å²	62.7	18%	0.178	32%	0.319	C	S	.	.	H	α-helix	trans	-59.2	-53.8	-167.4	-174	179.8	-177	-173.5	0	113.1	V855 T925 L930 M932	V855-K928 HydrophobicContact CG1-CD 3.88Å; V855-K928 HydrophobicContact CG1-CG 4.01Å; T925-K928 WeakPolarHBondContact O-CB 3.19Å; T925-K928 PolarHBondContact O-N 3.26Å; K928-L930 PolarHBondContact O-N 3.37Å; K928-M932 HydrophobicContact CG-SD 3.59Å; K928-M932 VanDerWaalsContact CG-SD 3.59Å; K928-M932 WeakPolarHBondContact O-CB 3.45Å; K928-M932 WeakPolarHBondContact O-CG 3.46Å; K928-M932 PolarHBondContact O-N 2.91Å; K928-M932 VanDerWaalsContact O-N 3.1Å
929	T	58.7	Low	67	Low	113 Å²	113	59.1 Å²	59.1	69%	0.693	30%	0.303	S	S	*	.	H	α-helix	trans	-63.7	-44.2	-170.1	-22.9	0	0	0	0	112.9	E927 E933	E927-T929 PolarHBondContact O-N 3.29Å; T929-E933 PolarHBondContact O-N 2.77Å
930	L	61.9	Low	67	Low	111 Å²	111	63.9 Å²	63.9	58%	0.581	32%	0.317	S	S	*	.	H	α-helix	trans	-69.2	-43.8	-176.4	-166.4	93.6	0	0	0	111.9	K928 E933 Q934	K928-L930 PolarHBondContact O-N 3.37Å; L930-E933 PolarHBondContact O-N 2.97Å; L930-Q934 PolarHBondContact O-N 2.94Å
931	V	64.3	Low	66.6	Low	63 Å²	63	70 Å²	70	38%	0.382	35%	0.346	S	S	.	.	H	α-helix	trans	-73.4	-36.1	-176.3	177.6	0	0	0	0	111.2	E927 E933 Q934 R935	E927-V931 WeakPolarHBondContact O-CG2 3.37Å; E927-V931 PolarHBondContact O-N 2.98Å; V931-E933 PolarHBondContact O-N 3.23Å; V931-Q934 PolarHBondContact O-N 3.46Å; V931-R935 WeakPolarHBondContact O-CB 3.13Å; V931-R935 PolarHBondContact O-N 2.82Å
932	M	64.1	Low	66.1	Low	60 Å²	60	71.5 Å²	71.5	30%	0.296	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-40.3	173.6	-73.3	174.8	77.7	0	0	112.6	K928 R935 S936 D958	K928-M932 HydrophobicContact CG-SD 3.59Å; K928-M932 VanDerWaalsContact CG-SD 3.59Å; K928-M932 WeakPolarHBondContact O-CB 3.45Å; K928-M932 WeakPolarHBondContact O-CG 3.46Å; K928-M932 PolarHBondContact O-N 2.91Å; K928-M932 VanDerWaalsContact O-N 3.1Å; M932-R935 PolarHBondContact O-N 2.75Å; M932-S936 WeakPolarHBondContact O-CB 3.32Å; M932-S936 PolarHBondContact O-N 2.9Å; M932-D958 HydrophobicContact CE-CB 3.9Å
933	E	67	Low	66.1	Low	126 Å²	126	78.3 Å²	78.3	59%	0.589	38%	0.382	S	S	*	.	H	α-helix	trans	-67.6	-45.7	178.3	-174.9	169.4	-165.9	0	0	111.9	T929 L930 V931 R935 S936 Q937	T929-E933 PolarHBondContact O-N 2.77Å; L930-E933 PolarHBondContact O-N 2.97Å; V931-E933 PolarHBondContact O-N 3.23Å; E933-R935 VanDerWaalsContact C-N 3.34Å; E933-R935 PolarHBondContact O-N 2.85Å; E933-S936 WeakPolarHBondContact O-CB 3.37Å; E933-S936 PolarHBondContact O-N 3.07Å; E933-S936 VanDerWaalsContact O-N 3.13Å; E933-Q937 WeakPolarHBondContact O-CG 3.48Å; E933-Q937 PolarHBondContact O-N 3.13Å
934	Q	68.3	Low	66.3	Low	110 Å²	110	79.6 Å²	79.6	51%	0.514	39%	0.388	S	S	.	.	H	α-helix	trans	-59	-43.6	174.5	-71.2	-174.8	-20.6	0	0	111.9	L930 V931 S936 Q937 I938	L930-Q934 PolarHBondContact O-N 2.94Å; V931-Q934 PolarHBondContact O-N 3.46Å; Q934-S936 VanDerWaalsContact C-N 3.34Å; Q934-S936 PolarHBondContact O-N 3.38Å; Q934-Q937 PolarHBondContact O-N 2.94Å; Q934-I938 WeakPolarHBondContact O-CG1 3.46Å; Q934-I938 PolarHBondContact O-N 3.25Å
935	R	67.8	Low	66.5	Low	42 Å²	42	83.1 Å²	83.1	16%	0.158	41%	0.41	C	S	.	.	H	α-helix	trans	-58.1	-45	173.6	-169.6	-173.5	-171.2	113.1	9.5	111.3	V931 M932 E933 Q937 I938 L939 E952 E1127	V931-R935 WeakPolarHBondContact O-CB 3.13Å; V931-R935 PolarHBondContact O-N 2.82Å; M932-R935 PolarHBondContact O-N 2.75Å; E933-R935 VanDerWaalsContact C-N 3.34Å; E933-R935 PolarHBondContact O-N 2.85Å; R935-Q937 VanDerWaalsContact C-N 3.33Å; R935-Q937 PolarHBondContact O-N 2.96Å; R935-I938 PolarHBondContact O-N 2.72Å; R935-L939 HydrophobicContact CG-CD1 4.09Å; R935-L939 HydrophobicContact CG-CG 4.44Å; R935-L939 VanDerWaalsContact O-CG 3.27Å; R935-L939 WeakPolarHBondContact O-CG 3.44Å; R935-L939 PolarHBondContact O-N 3.02Å; R935-E952 IonicContact CZ-OE1 2.64Å; R935-E952 VanDerWaalsContact CZ-OE1 3.3Å; R935-E952 IonicContact NE-OE1 2.78Å; R935-E952 PolarHBondContact NE-OE1 3.23Å; R935-E952 VanDerWaalsContact NE-OE1 3.07Å; R935-E952 IonicContact NH2-OE1 3.93Å; R935-E952 PolarHBondContact NH2-OE1 3.47Å; R935-E1127 PolarHBondContact NH2-O 3.46Å
936	S	69.7	Low	66.8	Low	54 Å²	54	88.9 Å²	88.9	38%	0.378	43%	0.433	S	S	.	.	H	α-helix	trans	-61.2	-38.5	178.3	-166.6	0	0	0	0	112.9	M932 E933 Q934 K940	M932-S936 WeakPolarHBondContact O-CB 3.32Å; M932-S936 PolarHBondContact O-N 2.9Å; E933-S936 WeakPolarHBondContact O-CB 3.37Å; E933-S936 PolarHBondContact O-N 3.07Å; E933-S936 VanDerWaalsContact O-N 3.13Å; Q934-S936 VanDerWaalsContact C-N 3.34Å; Q934-S936 PolarHBondContact O-N 3.38Å; S936-K940 WeakPolarHBondContact O-CG 3.48Å; S936-K940 PolarHBondContact O-N 2.91Å
937	Q	70.4	Confident	67.3	Low	99 Å²	99	86.9 Å²	86.9	46%	0.463	43%	0.433	S	S	.	.	H	α-helix	trans	-66.4	-44.3	175.2	-66.3	176.5	11.7	0	0	111.8	E933 Q934 R935 L939 K940 Q941	E933-Q937 WeakPolarHBondContact O-CG 3.48Å; E933-Q937 PolarHBondContact O-N 3.13Å; Q934-Q937 PolarHBondContact O-N 2.94Å; R935-Q937 VanDerWaalsContact C-N 3.33Å; R935-Q937 PolarHBondContact O-N 2.96Å; Q937-L939 PolarHBondContact O-N 2.87Å; Q937-K940 PolarHBondContact O-N 3.43Å; Q937-Q941 PolarHBondContact O-N 2.92Å
938	I	71.4	Confident	67.9	Low	53 Å²	53	85.7 Å²	85.7	27%	0.272	43%	0.427	S	S	.	.	H	α-helix	trans	-62.1	-43.1	176.5	-66.5	165.1	0	0	0	110.9	Q934 R935 K940 Q941 M942	Q934-I938 WeakPolarHBondContact O-CG1 3.46Å; Q934-I938 PolarHBondContact O-N 3.25Å; R935-I938 PolarHBondContact O-N 2.72Å; I938-K940 VanDerWaalsContact C-N 3.31Å; I938-K940 PolarHBondContact O-N 2.92Å; I938-Q941 PolarHBondContact O-N 3.5Å; I938-M942 HydrophobicContact CG2-CE 3.78Å; I938-M942 HydrophobicContact CG2-SD 4.23Å; I938-M942 WeakPolarHBondContact O-CG 3.23Å; I938-M942 PolarHBondContact O-N 3.02Å
939	L	68.4	Low	68.3	Low	30 Å²	30	89 Å²	89	16%	0.157	44%	0.439	C	S	.	.	H	α-helix	trans	-60.9	-36.8	177.5	-71.5	171	0	0	0	113.1	R935 Q937 M942 L944 E952 V1128	R935-L939 HydrophobicContact CG-CD1 4.09Å; R935-L939 HydrophobicContact CG-CG 4.44Å; R935-L939 VanDerWaalsContact O-CG 3.27Å; R935-L939 WeakPolarHBondContact O-CG 3.44Å; R935-L939 PolarHBondContact O-N 3.02Å; Q937-L939 PolarHBondContact O-N 2.87Å; L939-M942 HydrophobicContact CD2-CE 3.83Å; L939-M942 PolarHBondContact O-N 2.67Å; L939-L944 HydrophobicContact CD2-CD1 3.58Å; L939-E952 WeakPolarHBondContact CD2-OE2 3.44Å; L939-V1128 HydrophobicContact CD2-CG2 3.74Å
940	K	69.5	Low	68.8	Low	152 Å²	152	88.1 Å²	88.1	66%	0.661	43%	0.427	S	S	*	.	H	α-helix	trans	-65.6	-41.8	174.6	-70.3	168.2	-173.7	177.1	0	112.1	S936 Q937 I938 M942	S936-K940 WeakPolarHBondContact O-CG 3.48Å; S936-K940 PolarHBondContact O-N 2.91Å; Q937-K940 PolarHBondContact O-N 3.43Å; I938-K940 VanDerWaalsContact C-N 3.31Å; I938-K940 PolarHBondContact O-N 2.92Å; K940-M942 VanDerWaalsContact C-N 3.25Å; K940-M942 PolarHBondContact O-N 3.06Å
941	Q	67.3	Low	69.2	Low	143 Å²	143	89.1 Å²	89.1	67%	0.668	42%	0.422	S	S	*	.	H	α-helix	trans	-63.3	-30.1	178.9	-68.6	172.9	-5.8	0	0	112.9	Q937 I938 H943	Q937-Q941 PolarHBondContact O-N 2.92Å; I938-Q941 PolarHBondContact O-N 3.5Å; Q941-H943 VanDerWaalsContact C-N 3.31Å; Q941-H943 PolarHBondContact O-N 3.46Å; Q941-H943 PolarHBondContact O-ND1 3.3Å
942	M	64.1	Low	69.7	Low	31 Å²	31	86.2 Å²	86.2	15%	0.153	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.9	-173.8	-68.9	-173.1	-60.6	0	0	115.7	T690 K691 I938 L939 K940 L944 V1128	T690-M942 WeakPolarHBondContact CB-SD 3.3Å; T690-M942 HydrophobicContact CG2-SD 4.09Å; T690-M942 PolarHBondContact OG1-SD 2.99Å; K691-M942 WeakPolarHBondContact CE-O 3.42Å; I938-M942 HydrophobicContact CG2-CE 3.78Å; I938-M942 HydrophobicContact CG2-SD 4.23Å; I938-M942 WeakPolarHBondContact O-CG 3.23Å; I938-M942 PolarHBondContact O-N 3.02Å; L939-M942 HydrophobicContact CD2-CE 3.83Å; L939-M942 PolarHBondContact O-N 2.67Å; K940-M942 VanDerWaalsContact C-N 3.25Å; K940-M942 PolarHBondContact O-N 3.06Å; M942-L944 VanDerWaalsContact C-N 3.35Å; M942-L944 HydrophobicContact CB-CG 4.48Å; M942-L944 PolarHBondContact O-N 3.46Å; M942-V1128 HydrophobicContact CE-CB 4.48Å; M942-V1128 HydrophobicContact CE-CG2 3.71Å
943	H	68.2	Low	70	Confident	162 Å²	162	83.5 Å²	83.5	75%	0.75	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	56.5	175.6	-64.8	76.1	0	0	0	112.1	K691 Q941	K691-H943 PolarHBondContact NZ-O 2.99Å; Q941-H943 VanDerWaalsContact C-N 3.31Å; Q941-H943 PolarHBondContact O-N 3.46Å; Q941-H943 PolarHBondContact O-ND1 3.3Å
944	L	70.1	Confident	69.9	Low	35 Å²	35	77.8 Å²	77.8	18%	0.183	37%	0.365	C	S	.	.			trans	-77.1	131.2	175.5	-72.6	160.1	0	0	0	109.9	K691 L939 M942 E948 T1130	K691-L944 HydrophobicContact CD-CD2 3.75Å; K691-L944 HydrophobicContact CG-CD2 3.97Å; L939-L944 HydrophobicContact CD2-CD1 3.58Å; M942-L944 VanDerWaalsContact C-N 3.35Å; M942-L944 HydrophobicContact CB-CG 4.48Å; M942-L944 PolarHBondContact O-N 3.46Å; L944-E948 HydrophobicContact CB-CB 4.42Å; L944-E948 HydrophobicContact CD2-CB 3.79Å; L944-T1130 HydrophobicContact CD2-CG2 4.45Å
945	T	74.5	Confident	69.9	Low	81 Å²	81	73.3 Å²	73.3	50%	0.497	35%	0.346	S	S	.	.			trans	-67.3	156.8	168.5	61	0	0	0	0	110.1	N947 E948 R949	T945-N947 VanDerWaalsContact C-N 3.26Å; T945-N947 PolarHBondContact O-N 2.8Å; T945-E948 PolarHBondContact N-OE2 3.42Å; T945-E948 WeakPolarHBondContact O-CB 3.19Å; T945-E948 PolarHBondContact O-N 3.14Å; T945-E948 VanDerWaalsContact OG1-CG 3.24Å; T945-E948 WeakPolarHBondContact OG1-CG 3.2Å; T945-E948 PolarHBondContact OG1-N 3.05Å; T945-E948 PolarHBondContact OG1-OE2 3.38Å; T945-R949 PolarHBondContact O-N 3.08Å
946	K	72.9	Confident	69.9	Low	140 Å²	140	73.3 Å²	73.3	61%	0.609	35%	0.348	S	S	*	.	H	α-helix	trans	-52.8	-46.2	-179.7	-165	-171.9	-178.8	-156.3	0	111.8	E948 R949 E950	K946-E948 VanDerWaalsContact C-N 3.29Å; K946-E948 PolarHBondContact O-N 3.21Å; K946-R949 PolarHBondContact O-N 2.93Å; K946-R949 VanDerWaalsContact O-N 3.14Å; K946-E950 WeakPolarHBondContact CE-OE1 3.27Å; K946-E950 WeakPolarHBondContact CG-OE1 3.06Å; K946-E950 IonicContact NZ-OE1 2.77Å; K946-E950 WeakPolarHBondContact O-CG 3.29Å; K946-E950 PolarHBondContact O-N 3.22Å
947	N	72.9	Confident	69.9	Low	104 Å²	104	71 Å²	71	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-68.1	-21.2	179	-57.6	10.3	0	0	0	114	T945 R951	T945-N947 VanDerWaalsContact C-N 3.26Å; T945-N947 PolarHBondContact O-N 2.8Å; N947-R951 WeakPolarHBondContact O-CD 3.47Å; N947-R951 VanDerWaalsContact O-CG 3.32Å; N947-R951 WeakPolarHBondContact O-CG 3.48Å; N947-R951 PolarHBondContact O-NE 3.24Å
948	E	71.6	Confident	69.8	Low	50 Å²	50	68.2 Å²	68.2	23%	0.234	32%	0.32	C	S	.	.	H	α-helix	trans	-79.9	-40.5	169.9	-74.6	170.6	129.4	0	0	110.9	K691 L944 T945 K946 E950 R951 T1130	K691-E948 WeakPolarHBondContact CD-OE1 3.39Å; K691-E948 IonicContact NZ-OE1 3.58Å; K691-E948 PolarHBondContact NZ-OE1 3.33Å; K691-E948 VanDerWaalsContact NZ-OE1 3.12Å; K691-E948 IonicContact NZ-OE2 3.37Å; K691-E948 PolarHBondContact NZ-OE2 3.4Å; L944-E948 HydrophobicContact CB-CB 4.42Å; L944-E948 HydrophobicContact CD2-CB 3.79Å; T945-E948 PolarHBondContact N-OE2 3.42Å; T945-E948 WeakPolarHBondContact O-CB 3.19Å; T945-E948 PolarHBondContact O-N 3.14Å; T945-E948 VanDerWaalsContact OG1-CG 3.24Å; T945-E948 WeakPolarHBondContact OG1-CG 3.2Å; T945-E948 PolarHBondContact OG1-N 3.05Å; T945-E948 PolarHBondContact OG1-OE2 3.38Å; K946-E948 VanDerWaalsContact C-N 3.29Å; K946-E948 PolarHBondContact O-N 3.21Å; E948-E950 VanDerWaalsContact C-N 3.35Å; E948-R951 WeakPolarHBondContact O-CA 3Å; E948-R951 WeakPolarHBondContact O-CB 3.4Å; E948-R951 PolarHBondContact O-N 2.86Å; E948-T1130 HydrophobicContact CB-CG2 4.35Å
949	R	70.7	Confident	69.6	Low	111 Å²	111	71.2 Å²	71.2	42%	0.419	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-40	177.2	-161.6	-175.5	89.9	-157.1	12	111.9	T945 K946 R951 E952 S955 E959	T945-R949 PolarHBondContact O-N 3.08Å; K946-R949 PolarHBondContact O-N 2.93Å; K946-R949 VanDerWaalsContact O-N 3.14Å; R949-R951 PolarHBondContact O-N 3.4Å; R949-R951 VanDerWaalsContact O-N 3.13Å; R949-E952 PolarHBondContact O-N 2.99Å; R949-E952 VanDerWaalsContact O-N 3.08Å; R949-S955 PolarHBondContact O-OG 3.21Å; R949-E959 IonicContact CZ-OE1 3.57Å; R949-E959 IonicContact NH2-OE1 2.92Å; R949-E959 PolarHBondContact NH2-OE1 2.69Å
950	E	70	Confident	69.3	Low	94 Å²	94	70.5 Å²	70.5	44%	0.439	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-2.1	172.6	-69.1	168.9	-175.7	0	0	113.4	K946 E948	K946-E950 WeakPolarHBondContact CE-OE1 3.27Å; K946-E950 WeakPolarHBondContact CG-OE1 3.06Å; K946-E950 IonicContact NZ-OE1 2.77Å; K946-E950 WeakPolarHBondContact O-CG 3.29Å; K946-E950 PolarHBondContact O-N 3.22Å; E948-E950 VanDerWaalsContact C-N 3.35Å
951	R	70.9	Confident	69.1	Low	131 Å²	131	65 Å²	65	49%	0.494	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	1	171.1	-68.3	174	-173.9	-170.3	2	113.7	F901 N947 E948 R949	F901-R951 WeakPolarHBondContact CE2-O 3.43Å; F901-R951 WeakPolarHBondContact CZ-O 3.24Å; N947-R951 WeakPolarHBondContact O-CD 3.47Å; N947-R951 VanDerWaalsContact O-CG 3.32Å; N947-R951 WeakPolarHBondContact O-CG 3.48Å; N947-R951 PolarHBondContact O-NE 3.24Å; E948-R951 WeakPolarHBondContact O-CA 3Å; E948-R951 WeakPolarHBondContact O-CB 3.4Å; E948-R951 PolarHBondContact O-N 2.86Å; R949-R951 PolarHBondContact O-N 3.4Å; R949-R951 VanDerWaalsContact O-N 3.13Å
952	E	73.8	Confident	68.5	Low	3 Å²	3	59.9 Å²	59.9	1%	0.014	29%	0.291	C	S	.	.			trans	-95.1	119.3	170.7	-179.4	174.7	172.7	0	0	110.7	R935 L939 R949 Q954 S955	R935-E952 IonicContact CZ-OE1 2.64Å; R935-E952 VanDerWaalsContact CZ-OE1 3.3Å; R935-E952 IonicContact NE-OE1 2.78Å; R935-E952 PolarHBondContact NE-OE1 3.23Å; R935-E952 VanDerWaalsContact NE-OE1 3.07Å; R935-E952 IonicContact NH2-OE1 3.93Å; R935-E952 PolarHBondContact NH2-OE1 3.47Å; L939-E952 WeakPolarHBondContact CD2-OE2 3.44Å; R949-E952 PolarHBondContact O-N 2.99Å; R949-E952 VanDerWaalsContact O-N 3.08Å; E952-Q954 VanDerWaalsContact C-N 3.35Å; E952-Q954 PolarHBondContact O-N 3.16Å; E952-S955 WeakPolarHBondContact CB-OG 3.48Å; E952-S955 PolarHBondContact O-OG 3.29Å
953	I	71	Confident	67.7	Low	2 Å²	2	61 Å²	61	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-34.8	-169.8	-156.6	171.4	0	0	0	113.5	W853 G859 M862 L898 F901 I956 T957	W853-I953 HydrophobicContact CH2-CD1 4.39Å; W853-I953 HydrophobicContact CH2-CG1 3.96Å; W853-I953 HydrophobicContact CH2-CG2 4.24Å; W853-I953 HydrophobicContact CZ3-CD1 3.97Å; W853-I953 HydrophobicContact CZ3-CG1 3.98Å; G859-I953 VanDerWaalsContact N-CG2 3.32Å; M862-I953 HydrophobicContact CE-CD1 3.98Å; M862-I953 HydrophobicContact CG-CD1 3.87Å; L898-I953 HydrophobicContact CD1-CD1 3.56Å; L898-I953 HydrophobicContact CD1-CG1 3.75Å; F901-I953 HydrophobicContact CD1-CB 4.31Å; F901-I953 HydrophobicContact CD1-CD1 3.81Å; F901-I953 HydrophobicContact CD1-CG1 3.69Å; F901-I953 HydrophobicContact CE1-CB 3.52Å; F901-I953 HydrophobicContact CE1-CD1 3.48Å; F901-I953 VanDerWaalsContact CE1-CD1 3.48Å; F901-I953 HydrophobicContact CE1-CG1 3.36Å; F901-I953 HydrophobicContact CE2-CB 4.35Å; F901-I953 HydrophobicContact CG-CG1 4.45Å; F901-I953 HydrophobicContact CZ-CB 3.54Å; F901-I953 HydrophobicContact CZ-CD1 4.39Å; F901-I953 HydrophobicContact CZ-CG1 3.87Å; I953-I956 PolarHBondContact O-N 2.79Å; I953-T957 PolarHBondContact O-N 2.96Å; I953-T957 PolarHBondContact O-OG1 3.31Å
954	Q	64.1	Low	66.5	Low	7 Å²	7	56.7 Å²	56.7	3%	0.033	28%	0.284	C	S	.	.	H	α-helix	trans	-69.4	-45.3	-175.1	-170.7	71.8	52.4	0	0	110.8	V855 E952 I956 T957 D958	V855-Q954 PolarHBondContact O-NE2 3.45Å; E952-Q954 VanDerWaalsContact C-N 3.35Å; E952-Q954 PolarHBondContact O-N 3.16Å; Q954-I956 VanDerWaalsContact C-N 3.25Å; Q954-I956 PolarHBondContact O-N 2.65Å; Q954-T957 PolarHBondContact O-N 2.03Å; Q954-T957 VanDerWaalsContact O-N 3.16Å; Q954-T957 PolarHBondContact O-OG1 2.98Å; Q954-D958 PolarHBondContact NE2-OD1 3.39Å; Q954-D958 WeakPolarHBondContact O-CB 3.49Å; Q954-D958 PolarHBondContact O-N 2.83Å
955	S	67.9	Low	65.1	Low	16 Å²	16	66 Å²	66	11%	0.112	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-33	178.7	27.7	0	0	0	0	113.4	R949 E952 E959	R949-S955 PolarHBondContact O-OG 3.21Å; E952-S955 WeakPolarHBondContact CB-OG 3.48Å; E952-S955 PolarHBondContact O-OG 3.29Å; S955-E959 WeakPolarHBondContact O-CG 3.37Å; S955-E959 PolarHBondContact O-N 3.25Å
956	I	69.5	Low	63.6	Low	41 Å²	41	73.3 Å²	73.3	21%	0.21	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-51.3	175	-66.3	165	0	0	0	110	D897 F901 I953 Q954 D958 E959 S960	D897-I956 HydrophobicContact CB-CG2 4.03Å; F901-I956 HydrophobicContact CB-CD1 4.48Å; F901-I956 HydrophobicContact CD2-CD1 3.24Å; F901-I956 HydrophobicContact CE2-CD1 3.63Å; F901-I956 HydrophobicContact CG-CD1 4.12Å; I953-I956 PolarHBondContact O-N 2.79Å; Q954-I956 VanDerWaalsContact C-N 3.25Å; Q954-I956 PolarHBondContact O-N 2.65Å; I956-D958 VanDerWaalsContact C-N 3.28Å; I956-D958 PolarHBondContact O-N 2.83Å; I956-E959 PolarHBondContact O-N 3.12Å; I956-S960 PolarHBondContact O-N 3.49Å; I956-S960 PolarHBondContact O-OG 3.09Å; I956-S960 VanDerWaalsContact O-OG 3.08Å
957	T	67.7	Low	61.9	Low	6 Å²	6	74.8 Å²	74.8	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-34.2	177.3	44.2	0	0	0	0	112.8	W853 M894 I953 Q954 E959 S960 R961	W853-T957 HydrophobicContact CH2-CG2 3.37Å; W853-T957 VanDerWaalsContact CH2-OG1 3.27Å; W853-T957 WeakPolarHBondContact CH2-OG1 3.34Å; W853-T957 HydrophobicContact CZ2-CG2 4.12Å; W853-T957 WeakPolarHBondContact CZ2-OG1 3.46Å; W853-T957 HydrophobicContact CZ3-CG2 3.86Å; M894-T957 HydrophobicContact CG-CG2 4.33Å; I953-T957 PolarHBondContact O-N 2.96Å; I953-T957 PolarHBondContact O-OG1 3.31Å; Q954-T957 PolarHBondContact O-N 2.03Å; Q954-T957 VanDerWaalsContact O-N 3.16Å; Q954-T957 PolarHBondContact O-OG1 2.98Å; T957-E959 VanDerWaalsContact C-N 3.34Å; T957-S960 PolarHBondContact O-N 2.89Å; T957-R961 WeakPolarHBondContact O-CB 3.47Å; T957-R961 WeakPolarHBondContact O-CG 3.44Å; T957-R961 PolarHBondContact O-N 2.79Å
958	D	69.4	Low	59.9	Low	40 Å²	40	76.5 Å²	76.5	21%	0.214	35%	0.351	C	S	.	.	H	α-helix	trans	-66.7	-36.9	177.3	-63.5	-9	0	0	0	111	M932 Q954 I956 G962	M932-D958 HydrophobicContact CE-CB 3.9Å; Q954-D958 PolarHBondContact NE2-OD1 3.39Å; Q954-D958 WeakPolarHBondContact O-CB 3.49Å; Q954-D958 PolarHBondContact O-N 2.83Å; I956-D958 VanDerWaalsContact C-N 3.28Å; I956-D958 PolarHBondContact O-N 2.83Å; D958-G962 PolarHBondContact O-N 3.32Å
959	E	67.1	Low	58.1	Low	117 Å²	117	79.6 Å²	79.6	55%	0.547	38%	0.375	S	S	.	.	H	α-helix	trans	-67.6	-46.7	170.1	-75.8	-176.5	-171.8	0	0	111.9	R949 S955 I956 T957 R961 G962 S963	R949-E959 IonicContact CZ-OE1 3.57Å; R949-E959 IonicContact NH2-OE1 2.92Å; R949-E959 PolarHBondContact NH2-OE1 2.69Å; S955-E959 WeakPolarHBondContact O-CG 3.37Å; S955-E959 PolarHBondContact O-N 3.25Å; I956-E959 PolarHBondContact O-N 3.12Å; T957-E959 VanDerWaalsContact C-N 3.34Å; E959-R961 VanDerWaalsContact C-N 3.32Å; E959-R961 PolarHBondContact O-N 3.31Å; E959-G962 PolarHBondContact O-N 3.28Å; E959-S963 PolarHBondContact O-N 3.06Å; E959-S963 VanDerWaalsContact O-N 3.12Å
960	S	61.8	Low	56.2	Low	14 Å²	14	78.8 Å²	78.8	10%	0.098	39%	0.392	C	S	.	.	H	α-helix	trans	-59	-41	178.3	-51.3	0	0	0	0	112	D897 I956 T957 S963	D897-S960 PolarHBondContact OD2-OG 3.44Å; I956-S960 PolarHBondContact O-N 3.49Å; I956-S960 PolarHBondContact O-OG 3.09Å; I956-S960 VanDerWaalsContact O-OG 3.08Å; T957-S960 PolarHBondContact O-N 2.89Å; S960-S963 WeakPolarHBondContact O-CB 3.41Å; S960-S963 PolarHBondContact O-OG 3.08Å
961	R	65.9	Low	54.2	Low	36 Å²	36	81.9 Å²	81.9	14%	0.136	41%	0.412	C	S	.	.	H	α-helix	trans	-74.8	-35.4	177.3	-62.4	-179.1	101.1	135.6	1.9	112.6	V884 D889 M894 T957 E959 S963	V884-R961 PolarHBondContact O-NH1 3.33Å; V884-R961 PolarHBondContact O-NH2 2.94Å; D889-R961 VanDerWaalsContact CG-NE 3.34Å; D889-R961 VanDerWaalsContact OD1-CB 3.24Å; D889-R961 WeakPolarHBondContact OD1-CB 3.28Å; D889-R961 WeakPolarHBondContact OD1-CG 3.48Å; D889-R961 IonicContact OD1-NE 3.1Å; D889-R961 PolarHBondContact OD1-NE 3.49Å; D889-R961 VanDerWaalsContact OD1-NE 3.16Å; D889-R961 IonicContact OD2-CZ 3.45Å; D889-R961 IonicContact OD2-NE 2.68Å; D889-R961 PolarHBondContact OD2-NE 3.14Å; D889-R961 IonicContact OD2-NH2 2.67Å; D889-R961 PolarHBondContact OD2-NH2 3.27Å; M894-R961 HydrophobicContact CE-CG 3.6Å; T957-R961 WeakPolarHBondContact O-CB 3.47Å; T957-R961 WeakPolarHBondContact O-CG 3.44Å; T957-R961 PolarHBondContact O-N 2.79Å; E959-R961 VanDerWaalsContact C-N 3.32Å; E959-R961 PolarHBondContact O-N 3.31Å; R961-S963 PolarHBondContact O-N 3.06Å
962	G	53.7	Low	52.5	Low	36 Å²	36	81.6 Å²	81.6	37%	0.371	43%	0.427	S	S	.	.	H	α-helix	trans	-68.9	-18.3	175.6	0	0	0	0	0	114.9	D958 E959 I964 R965	D958-G962 PolarHBondContact O-N 3.32Å; E959-G962 PolarHBondContact O-N 3.28Å; G962-I964 VanDerWaalsContact C-N 3.34Å; G962-I964 PolarHBondContact O-N 3.13Å; G962-R965 PolarHBondContact O-N 3.37Å
963	S	47	Very low	50.3	Low	54 Å²	54	92.7 Å²	92.7	38%	0.378	47%	0.469	S	S	.	.	H	α-helix	trans	-60.8	-32.6	-170.3	69.4	0	0	0	0	115.5	E959 S960 R961	E959-S963 PolarHBondContact O-N 3.06Å; E959-S963 VanDerWaalsContact O-N 3.12Å; S960-S963 WeakPolarHBondContact O-CB 3.41Å; S960-S963 PolarHBondContact O-OG 3.08Å; R961-S963 PolarHBondContact O-N 3.06Å
964	I	44.1	Very low	48.4	Very low	73 Å²	73	100.3 Å²	100.3	37%	0.374	51%	0.509	S	S	.	.	H	α-helix	trans	-85.5	-38.8	-176.9	-69.9	167	0	0	0	111.6	D888 N890 G962 R966 K967	D888-I964 VanDerWaalsContact O-CD1 3.23Å; D888-I964 WeakPolarHBondContact O-CD1 3.47Å; N890-I964 HydrophobicContact CB-CD1 4.18Å; G962-I964 VanDerWaalsContact C-N 3.34Å; G962-I964 PolarHBondContact O-N 3.13Å; I964-R966 PolarHBondContact O-N 3.18Å; I964-R966 VanDerWaalsContact O-N 3.07Å; I964-K967 PolarHBondContact O-N 3.09Å
965	R	41.5	Very low	46.7	Very low	230 Å²	230	112.1 Å²	112.1	87%	0.868	55%	0.553	S	S	*	*	H	α-helix	trans	-63.4	-19.7	-175.9	-158.8	173.5	-172.8	179.6	4.5	113.6	G962	G962-R965 PolarHBondContact O-N 3.37Å
966	R	42.1	Very low	44.9	Very low	234 Å²	234	118.6 Å²	118.6	88%	0.883	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-10	172.2	-79.8	-175.3	170.8	175.1	-2.3	115.2	I964	I964-R966 PolarHBondContact O-N 3.18Å; I964-R966 VanDerWaalsContact O-N 3.07Å
967	K	36.8	Very low	42.9	Very low	171 Å²	171	123.1 Å²	123.1	74%	0.743	61%	0.61	S	S	*	*	S	Bend	trans	-96.1	-9.9	-176.5	-77.7	-170.2	172.5	-176.1	0	115.7	I964 P969	I964-K967 PolarHBondContact O-N 3.09Å; K967-P969 VanDerWaalsContact C-CD 3.43Å; K967-P969 WeakPolarHBondContact O-CD 3.24Å
968	N	31.8	Very low	41	Very low	140 Å²	140	129.5 Å²	129.5	75%	0.749	65%	0.649	S	S	*	*			trans	-112.5	80.2	178.9	-77.5	-2	0	0	0	112.7
969	P	33.9	Very low	39.1	Very low	115 Å²	115	132.9 Å²	132.9	75%	0.747	67%	0.673	S	S	*	*			trans	-74.4	118.9	159.4	31.4	-30.5	0	0	0	109.4	K967	K967-P969 VanDerWaalsContact C-CD 3.43Å; K967-P969 WeakPolarHBondContact O-CD 3.24Å
970	A	30.6	Very low	37.2	Very low	95 Å²	95	135.9 Å²	135.9	79%	0.785	69%	0.687	S	S	*	*			trans	-74.6	141.2	173.4	0	0	0	0	0	111.2
971	N	27.8	Very low	35.5	Very low	158 Å²	158	144.4 Å²	144.4	85%	0.845	73%	0.725	S	S	*	*			trans	59.7	95.2	175.5	-77.2	-29.9	0	0	0	118
972	P	35.4	Very low	33.5	Very low	126 Å²	126	149 Å²	149	82%	0.818	76%	0.757	S	S	*	*			trans	-85.5	109.1	160.3	33	-29.8	0	0	0	111.2
973	R	28.1	Very low	32.2	Very low	235 Å²	235	152.2 Å²	152.2	89%	0.887	78%	0.781	S	S	*	*			trans	-141.5	135.7	161.7	-80.4	-165	170.6	174	-1.7	112.5
974	L	31.1	Very low	30.9	Very low	162 Å²	162	155.7 Å²	155.7	85%	0.848	80%	0.803	S	S	*	*			trans	63.6	90.7	163.3	-65.8	161.5	0	0	0	117.7
975	R	28.4	Very low	30	Very low	256 Å²	256	159.1 Å²	159.1	97%	0.966	82%	0.823	S	S	*	*				-149	169	106.9	-106.1	171	-168	-147.8	0.6	110.9
976	L	29.8	Very low	29.3	Very low	151 Å²	151	156.1 Å²	156.1	79%	0.791	82%	0.824	S	S	*	*			trans	-113.4	155.1	-158.7	-152.4	74.4	0	0	0	111.9
977	N	26.4	Very low	28.4	Very low	137 Å²	137	153.7 Å²	153.7	73%	0.733	82%	0.822	S	S	*	*			trans	-4.6	140.8	165.2	-48.8	-1.9	0	0	0	117.8
978	V	28.2	Very low	28	Very low	140 Å²	140	153.1 Å²	153.1	85%	0.848	82%	0.823	S	S	*	*				-167.7	157.5	81.1	151.5	0	0	0	0	108.6
979	P	30.9	Very low	27.6	Very low	111 Å²	111	155 Å²	155	72%	0.721	82%	0.824	S	S	*	*			trans	-102.4	-179.8	-148.1	40.5	-36.6	0	0	0	117.8
980	E	26.7	Very low	27.7	Very low	179 Å²	179	155.2 Å²	155.2	84%	0.836	83%	0.825	S	S	*	*			trans	-7	137.9	165.8	-60.5	171.9	111.9	0	0	121
981	E	25.4	Very low	27.4	Very low	194 Å²	194	160 Å²	160	91%	0.907	83%	0.831	S	S	*	*			trans	-145	161.1	133.6	-135.7	169.8	-145.3	0	0	109.7
982	T	25	Very low	27.4	Very low	131 Å²	131	161.5 Å²	161.5	80%	0.804	83%	0.833	S	S	*	*			trans	-118.1	146	-160.1	37.4	0	0	0	0	115.1
983	A	24.6	Very low	27	Very low	105 Å²	105	164.3 Å²	164.3	87%	0.868	84%	0.835	S	S	*	*			trans	-159.3	150.2	157.8	0	0	0	0	0	113.8
984	C	21.4	Very low	26.8	Very low	126 Å²	126	159 Å²	159	85%	0.851	83%	0.829	S	S	*	*			trans	-65.2	177.1	-166.5	-52.1	0	0	0	0	119.4
985	D	25.2	Very low	26.5	Very low	146 Å²	146	159.1 Å²	159.1	78%	0.781	83%	0.825	S	S	*	*			trans	-60.6	160.6	170.8	-41.9	-96.6	0	0	0	115
986	N	25.3	Very low	26.4	Very low	166 Å²	166	153.3 Å²	153.3	89%	0.888	81%	0.812	S	S	*	*				-167.6	168.5	124.2	-104.1	-60.8	0	0	0	113.3
987	E	24.8	Very low	26.2	Very low	183 Å²	183	152.4 Å²	152.4	86%	0.855	81%	0.807	S	S	*	*			trans	-86.9	175.7	-170.6	-65.1	-173.2	122.4	0	0	116
988	E	26.6	Very low	26.1	Very low	160 Å²	160	154.6 Å²	154.6	75%	0.748	81%	0.813	S	S	*	*			trans	-28.9	136.5	176.8	-42.1	-178.6	148.3	0	0	118.7
989	K	24.6	Very low	26	Very low	180 Å²	180	154.9 Å²	154.9	78%	0.783	81%	0.809	S	S	*	*				-172.7	168.6	94.9	-102.1	172.1	-175.7	160.6	0	113.7
990	P	35.3	Very low	25.8	Very low	118 Å²	118	158.9 Å²	158.9	77%	0.766	82%	0.819	S	S	*	*			trans	-93.7	162.9	-164.1	38	-38	0	0	0	114.6
991	E	24.5	Very low	25.6	Very low	196 Å²	196	155.9 Å²	155.9	92%	0.916	82%	0.817	S	S	*	*			trans	-117.2	132.3	169.1	-63.6	-177	147.9	0	0	110.7
992	E	28.3	Very low	25.7	Very low	190 Å²	190	151.2 Å²	151.2	89%	0.888	81%	0.812	S	S	*	*			trans	-111.3	125.9	158.8	-73.2	-171.5	123	0	0	107.9
993	E	25.8	Very low	25.8	Very low	184 Å²	184	151 Å²	151	86%	0.86	81%	0.812	S	S	*	*			trans	-177.5	120.8	138.7	-97.5	-176.7	165.4	0	0	106.2
994	V	25.3	Very low	25.7	Very low	124 Å²	124	151.2 Å²	151.2	75%	0.752	81%	0.808	S	S	*	*				87.2	144.6	52.3	175.6	0	0	0	0	112.1
995	Q	24.8	Very low	25.7	Very low	165 Å²	165	151.4 Å²	151.4	77%	0.771	81%	0.809	S	S	*	*			trans	85.5	143.3	-179.2	-48.6	-161.6	21.4	0	0	116.7
996	L	24.8	Very low	25.7	Very low	133 Å²	133	150.4 Å²	150.4	70%	0.696	81%	0.81	S	S	*	*			cis	-156.6	149.7	-16.1	-111.5	175.5	0	0	0	111.6
997	I	27.2	Very low	25.7	Very low	133 Å²	133	148.1 Å²	148.1	68%	0.682	81%	0.808	S	S	*	*			trans	5.6	125.6	156.9	-64.1	169.1	0	0	0	119.4
998	H	24.3	Very low	25.6	Very low	183 Å²	183	145.2 Å²	145.2	85%	0.847	81%	0.807	S	S	*	*				-154.7	155.2	114.6	-132.9	13.6	0	0	0	113.5
999	D	24.6	Very low	25.7	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	81%	0.809	S	S	*	*			trans	-87.1	156.7	-167.1	-74.5	-69	0	0	0	114.7
1000	Q	26.7	Very low	26	Very low	195 Å²	195	140.4 Å²	140.4	91%	0.911	81%	0.811	S	S	*	*			trans	-85.7	128.7	173.7	-67.6	-179.2	-10.4	0	0	111.9
1001	S	23.3	Very low	25.4	Very low	116 Å²	116	140.1 Å²	140.1	81%	0.811	81%	0.812	S	S	*	*			trans	-100	114.3	154.4	49.5	0	0	0	0	109.6
1002	A	27.4	Very low	26.2	Very low	96 Å²	96	137 Å²	137	79%	0.793	81%	0.809	S	S	*	*			trans	-78.8	153.5	170	0	0	0	0	0	110.7
1003	P	27.7	Very low	26	Very low	125 Å²	125	131.4 Å²	131.4	81%	0.812	80%	0.802	S	S	*	*				-130.4	158.1	125.8	20.1	-2.3	0	0	0	113.6
1004	S	22	Very low	26	Very low	111 Å²	111	132.2 Å²	132.2	78%	0.776	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-68.4	142.3	-177.9	52	0	0	0	0	114.7
1005	C	20.9	Very low	25.9	Very low	129 Å²	129	134.6 Å²	134.6	87%	0.872	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-86.1	127.4	160.9	-62.1	0	0	0	0	111.2
1006	P	25.6	Very low	26	Very low	125 Å²	125	133 Å²	133	81%	0.812	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-83.8	166.1	162.9	35.1	-33.3	0	0	0	111.6
1007	S	25.3	Very low	25.9	Very low	119 Å²	119	135.3 Å²	135.3	83%	0.832	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-92.2	137.1	-176.6	56.2	0	0	0	0	114.2
1008	S	23	Very low	25.7	Very low	121 Å²	121	132.6 Å²	132.6	85%	0.846	83%	0.825	S	S	*	*			trans	-157.9	150.8	149.6	57.1	0	0	0	0	112.4
1009	S	29.4	Very low	25.7	Very low	111 Å²	111	133 Å²	133	78%	0.776	83%	0.827	S	S	*	*			trans	-94.3	154.6	174.8	53.2	0	0	0	0	111.9
1010	P	28.9	Very low	25.7	Very low	129 Å²	129	137.5 Å²	137.5	84%	0.838	83%	0.833	S	S	*	*			trans	-123.2	161.1	153	37.7	-27.9	0	0	0	113.7
1011	S	23.1	Very low	25.6	Very low	112 Å²	112	137.7 Å²	137.7	78%	0.783	83%	0.834	S	S	*	*			trans	-155.2	173	168.5	60.4	0	0	0	0	108.1
1012	P	41.1	Very low	25.7	Very low	130 Å²	130	138.6 Å²	138.6	84%	0.844	84%	0.835	S	S	*	*				-115.2	173.8	-58.8	37.8	-27.9	0	0	0	111
1013	G	24	Very low	25.5	Very low	73 Å²	73	141.3 Å²	141.3	75%	0.753	84%	0.836	S	S	*	*			trans	-164.4	112.9	175.2	0	0	0	0	0	114.6
1014	E	25.8	Very low	25.4	Very low	201 Å²	201	140.8 Å²	140.8	94%	0.939	83%	0.833	S	S	*	*			trans	30.7	141.6	153.7	-61.5	178.2	146.4	0	0	122.7
1015	E	23.2	Very low	25.6	Very low	173 Å²	173	144.8 Å²	144.8	81%	0.808	84%	0.839	S	S	*	*			trans	-86.1	173.8	179.2	-58.2	177.8	149.8	0	0	112.4
1016	P	27	Very low	26.3	Very low	131 Å²	131	143.3 Å²	143.3	85%	0.851	83%	0.826	S	S	*	*				-134.3	165.1	102.6	38.7	-30.9	0	0	0	115.2
1017	E	24	Very low	26.7	Very low	182 Å²	182	144.3 Å²	144.3	85%	0.85	82%	0.819	S	S	*	*			trans	-73.4	161.4	-167.4	-58.6	165.4	126.4	0	0	115.3
1018	G	23.3	Very low	27.8	Very low	76 Å²	76	141.1 Å²	141.1	78%	0.784	79%	0.793	S	S	*	*			trans	-174.8	77.5	175.2	0	0	0	0	0	112.8
1019	E	24	Very low	29.1	Very low	191 Å²	191	138.2 Å²	138.2	89%	0.893	77%	0.77	S	S	*	*			trans	-59.7	132.8	-171.9	-59.7	178	124.5	0	0	114.6
1020	R	23.2	Very low	30.1	Very low	241 Å²	241	134.8 Å²	134.8	91%	0.909	74%	0.74	S	S	*	*			trans	-145.9	121.7	147.4	-74.2	-162	173.6	170.1	0.2	110.6
1021	E	26.2	Very low	30.8	Very low	199 Å²	199	129.2 Å²	129.2	93%	0.93	70%	0.704	S	S	*	*			trans	-69.9	138.2	170.7	-61.3	177.9	114.4	0	0	111.2
1022	T	24	Very low	31.7	Very low	135 Å²	135	130.5 Å²	130.5	83%	0.828	70%	0.695	S	S	*	*			trans	-144.9	146.7	160	46.9	0	0	0	0	108.5
1023	D	23.8	Very low	31.3	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	68%	0.683	S	S	*	*			trans	-54.1	149.6	-167.4	-70	-77.1	0	0	0	116.1	E1025	D1023-E1025 PolarHBondContact O-N 3.22Å
1024	P	26.6	Very low	31.7	Very low	114 Å²	114	135 Å²	135	74%	0.74	69%	0.686	S	S	*	*			trans	-70.1	111.3	-176.3	27.9	-35.3	0	0	0	113	V1026	P1024-V1026 PolarHBondContact O-N 3.06Å
1025	E	25.7	Very low	31.7	Very low	194 Å²	194	131.1 Å²	131.1	91%	0.907	68%	0.681	S	S	*	*			trans	-64.8	119.5	174.9	-164.5	173.4	-143.8	0	0	111.2	D1023 H1027	D1023-E1025 PolarHBondContact O-N 3.22Å; E1025-H1027 PolarHBondContact O-N 3.12Å; E1025-H1027 VanDerWaalsContact O-N 3.07Å
1026	V	35.5	Very low	32	Very low	99 Å²	99	128.9 Å²	128.9	60%	0.6	68%	0.679	S	S	*	*			trans	-82.1	94.5	-166.2	-177.3	0	0	0	0	111.8	P1024 L1028	P1024-V1026 PolarHBondContact O-N 3.06Å; V1026-L1028 PolarHBondContact O-N 3.37Å
1027	H	32.8	Very low	32.2	Very low	145 Å²	145	127.5 Å²	127.5	67%	0.671	68%	0.678	S	S	*	*			trans	-65.4	115.7	-179.9	-157.2	-33.4	0	0	0	112.8	E1025	E1025-H1027 PolarHBondContact O-N 3.12Å; E1025-H1027 VanDerWaalsContact O-N 3.07Å
1028	L	49.2	Very low	32.7	Very low	52 Å²	52	126.7 Å²	126.7	27%	0.272	68%	0.675	S	S	.	*			trans	-97.2	99.3	-176.1	-70.6	170.9	0	0	0	113.3	V1026 R1066	V1026-L1028 PolarHBondContact O-N 3.37Å; L1028-R1066 PolarHBondContact O-NH2 3.28Å
1029	T	49.9	Very low	33	Very low	60 Å²	60	132.1 Å²	132.1	37%	0.368	68%	0.677	S	S	.	*			trans	-98.1	167.4	177.7	61.5	0	0	0	0	113.3
1030	W	50.3	Low	33.2	Very low	40 Å²	40	131.5 Å²	131.5	15%	0.152	68%	0.68	C	S	.	*	S	Bend	trans	-91.8	1	176.5	-76.6	102.5	0	0	0	114	P1095 G1100 Y1104	W1030-P1095 HydrophobicContact CB-CB 3.78Å; W1030-P1095 HydrophobicContact CD2-CB 3.8Å; W1030-P1095 HydrophobicContact CE3-CB 4.3Å; W1030-P1095 HydrophobicContact CG-CB 3.61Å; W1030-G1100 WeakPolarHBondContact O-CA 3.48Å; W1030-Y1104 AromaticContact CH2-CD2 3.89Å; W1030-Y1104 HydrophobicContact CH2-CD2 3.89Å; W1030-Y1104 HydrophobicContact CZ2-CD2 4.48Å; W1030-Y1104 HydrophobicContact CZ3-CD2 4.36Å
1031	T	44.3	Very low	33.6	Very low	12 Å²	12	129.8 Å²	129.8	7%	0.074	68%	0.679	C	S	.	*	S	Bend	trans	-122.7	-179.8	-170.5	62.1	0	0	0	0	113.2	D1033 N1097 N1099	T1031-D1033 WeakPolarHBondContact CB-OD2 3.2Å; T1031-D1033 PolarHBondContact OG1-OD2 3.17Å; T1031-N1097 HydrophobicContact CG2-CB 3.43Å; T1031-N1097 VanDerWaalsContact CG2-CB 3.43Å; T1031-N1099 HydrophobicContact CG2-CB 4Å
1032	K	41.5	Very low	33.8	Very low	138 Å²	138	123.8 Å²	123.8	60%	0.6	67%	0.671	S	S	*	*			trans	-95.2	0.7	-163.4	-153.6	177.9	-179	-179.9	0	113.7	M1057 N1060	K1032-M1057 PolarHBondContact NZ-SD 2.95Å; K1032-N1060 PolarHBondContact O-ND2 3.04Å
1033	D	34	Very low	34.6	Very low	110 Å²	110	123.9 Å²	123.9	59%	0.588	67%	0.674	S	S	*	*			trans	-87	133.8	-154.3	-46.9	-67	0	0	0	112.7	T1031	T1031-D1033 WeakPolarHBondContact CB-OD2 3.2Å; T1031-D1033 PolarHBondContact OG1-OD2 3.17Å
1034	K	31	Very low	34.7	Very low	187 Å²	187	122.3 Å²	122.3	81%	0.813	67%	0.674	S	S	*	*			trans	-77.7	146.1	171.6	-68.3	-179.6	177.9	179.2	0	109.8	V1036	K1034-V1036 PolarHBondContact O-N 3.4Å; K1034-V1036 VanDerWaalsContact O-N 3.15Å
1035	S	27.2	Very low	35.1	Very low	120 Å²	120	122.3 Å²	122.3	84%	0.839	68%	0.675	S	S	*	*			trans	-62.5	110.5	160	38.3	0	0	0	0	109.9
1036	V	28.3	Very low	35.2	Very low	126 Å²	126	119.7 Å²	119.7	76%	0.764	67%	0.672	S	S	*	*			trans	-108.8	87.7	168.2	-178	0	0	0	0	107.4	K1034	K1034-V1036 PolarHBondContact O-N 3.4Å; K1034-V1036 VanDerWaalsContact O-N 3.15Å
1037	A	31.1	Very low	34.7	Very low	102 Å²	102	120.9 Å²	120.9	84%	0.843	68%	0.684	S	S	*	*			trans	-113.3	41.6	176.4	0	0	0	0	0	110.7
1038	E	35.9	Very low	34.4	Very low	165 Å²	165	118.8 Å²	118.8	77%	0.771	69%	0.686	S	S	*	*	S	Bend	trans	-151.1	152.9	173	-135.7	-171.8	-161.8	0	0	111.4
1039	K	28.6	Very low	33.4	Very low	190 Å²	190	125.5 Å²	125.5	83%	0.826	72%	0.716	S	S	*	*			trans	63.2	75.9	-179.7	-64.4	-176.7	179.2	174.3	0	117.3
1040	N	27.9	Very low	32.4	Very low	178 Å²	178	125.8 Å²	125.8	95%	0.952	73%	0.731	S	S	*	*			trans	-85.5	105.6	145.3	-109.5	-21.8	0	0	0	109.6
1041	K	32	Very low	31.8	Very low	205 Å²	205	131.6 Å²	131.6	89%	0.891	76%	0.763	S	S	*	*			trans	-158.7	86.5	164.7	-152.3	173.3	-170.5	175.4	0	115.3
1042	G	29.6	Very low	31.3	Very low	74 Å²	74	140.4 Å²	140.4	76%	0.763	80%	0.8	S	S	*	*			trans	79.1	130.3	154.7	0	0	0	0	0	117.7
1043	P	41	Very low	30.6	Very low	137 Å²	137	140.9 Å²	140.9	89%	0.89	81%	0.81	S	S	*	*			trans	-95.3	148.8	173.9	36.2	-32.8	0	0	0	113.4
1044	S	26	Very low	30.6	Very low	120 Å²	120	144.9 Å²	144.9	84%	0.839	82%	0.822	S	S	*	*			trans	-150.3	157.8	160.2	62.3	0	0	0	0	110.6
1045	P	34.5	Very low	30.9	Very low	115 Å²	115	145.8 Å²	145.8	75%	0.747	83%	0.826	S	S	*	*			trans	-102.4	147.3	-159	37	-34.4	0	0	0	116.6
1046	V	28.7	Very low	31.1	Very low	139 Å²	139	145 Å²	145	84%	0.842	82%	0.821	S	S	*	*			trans	50.9	114.1	145.2	-176.1	0	0	0	0	119.4
1047	S	24.2	Very low	31.3	Very low	124 Å²	124	146.4 Å²	146.4	87%	0.867	82%	0.821	S	S	*	*			trans	-163.2	-177.1	134.7	30.2	0	0	0	0	110.3
1048	S	27.2	Very low	31.4	Very low	101 Å²	101	150.6 Å²	150.6	71%	0.706	82%	0.82	S	S	*	*			trans	-101.5	-177.4	-155.2	51.7	0	0	0	0	116
1049	E	28.1	Very low	31.5	Very low	192 Å²	192	147.8 Å²	147.8	90%	0.897	82%	0.817	S	S	*	*			trans	79.3	149	172	-54.5	-176.7	-176.5	0	0	116.3
1050	G	29.4	Very low	32.5	Very low	66 Å²	66	141.7 Å²	141.7	68%	0.68	79%	0.793	S	S	*	*			cis	159	99.2	-8.1	0	0	0	0	0	114.2
1051	I	37.7	Very low	33.5	Very low	162 Å²	162	140.1 Å²	140.1	83%	0.831	78%	0.78	S	S	*	*			trans	59.6	88.2	161.5	-46.7	169	0	0	0	115.9
1052	K	32.6	Very low	34.5	Very low	197 Å²	197	131.5 Å²	131.5	86%	0.857	75%	0.746	S	S	*	*			trans	-172.7	118.2	130.9	-102.9	154.2	-172.8	173	0	110.9
1053	D	28.1	Very low	35.8	Very low	149 Å²	149	129.8 Å²	129.8	80%	0.797	72%	0.719	S	S	*	*			trans	175.3	61.1	142.7	-93.8	-4.6	0	0	0	110.1
1054	F	34	Very low	36.7	Very low	194 Å²	194	126.7 Å²	126.7	85%	0.851	70%	0.697	S	S	*	*			trans	-73.8	137.4	156.7	-85.1	-101.7	0	0	0	108.1
1055	F	36.6	Very low	38.3	Very low	205 Å²	205	127.1 Å²	127.1	90%	0.899	68%	0.68	S	S	*	*	S	Bend	trans	70.3	63	179.3	-61.1	-85.2	0	0	0	118.2
1056	S	31.3	Very low	39.7	Very low	104 Å²	104	122.3 Å²	122.3	73%	0.727	65%	0.647	S	S	*	*			trans	-151.3	115.8	130.2	67.4	0	0	0	0	113.5
1057	M	33.6	Very low	41.7	Very low	156 Å²	156	120.2 Å²	120.2	77%	0.768	63%	0.63	S	S	*	*			trans	-138.3	99.1	163.5	-173.4	144.7	81.2	0	0	109.9	K1032	K1032-M1057 PolarHBondContact NZ-SD 2.95Å
1058	K	32.7	Very low	44	Very low	189 Å²	189	119 Å²	119	82%	0.822	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-76.1	142	168.3	-67.6	-176.9	177.9	-179.9	0	109.3
1059	P	37.5	Very low	46.3	Very low	107 Å²	107	114.4 Å²	114.4	70%	0.695	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-71.9	145	176.1	29.6	-34.6	0	0	0	111.9	V1064	P1059-V1064 HydrophobicContact CB-CG2 3.94Å; P1059-V1064 HydrophobicContact CG-CG2 4.31Å
1060	N	49.5	Very low	48.8	Very low	61 Å²	61	105.3 Å²	105.3	33%	0.326	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-73.8	134.3	-178.7	-82.3	16.1	0	0	0	112.2	K1032 S1062 N1063 V1064	K1032-N1060 PolarHBondContact O-ND2 3.04Å; N1060-S1062 VanDerWaalsContact C-N 3.29Å; N1060-S1062 PolarHBondContact O-N 3.16Å; N1060-N1063 PolarHBondContact O-N 3.47Å; N1060-V1064 WeakPolarHBondContact O-CG2 3.49Å; N1060-V1064 PolarHBondContact O-N 2.8Å; N1060-V1064 VanDerWaalsContact O-N 3.09Å
1061	Q	49.2	Very low	51.5	Low	145 Å²	145	105 Å²	105	68%	0.678	52%	0.52	S	S	*	.	H	α-helix	trans	-63.6	-29	-173.4	-154.9	175.9	23.7	0	0	113.9	R1065	Q1061-R1065 WeakPolarHBondContact O-CB 3.26Å; Q1061-R1065 VanDerWaalsContact O-CG 3.3Å; Q1061-R1065 WeakPolarHBondContact O-CG 3.49Å; Q1061-R1065 PolarHBondContact O-N 3.07Å; Q1061-R1065 VanDerWaalsContact O-N 3.07Å
1062	S	52	Low	53.7	Low	25 Å²	25	102.3 Å²	102.3	18%	0.175	50%	0.499	C	S	.	.	H	α-helix	trans	-69.1	-49.4	175.9	49	0	0	0	0	112.9	N1060 R1065 R1066	N1060-S1062 VanDerWaalsContact C-N 3.29Å; N1060-S1062 PolarHBondContact O-N 3.16Å; S1062-R1065 PolarHBondContact O-N 3.45Å; S1062-R1066 PolarHBondContact O-N 2.95Å
1063	N	58	Low	56.3	Low	37 Å²	37	92.9 Å²	92.9	20%	0.198	46%	0.458	C	S	.	.	H	α-helix	trans	-66.7	-40.1	178.3	-70	19.8	0	0	0	110.9	N1060 R1065 R1066 M1067 N1103	N1060-N1063 PolarHBondContact O-N 3.47Å; N1063-R1065 VanDerWaalsContact C-N 3.33Å; N1063-R1065 PolarHBondContact O-N 3.17Å; N1063-R1066 PolarHBondContact O-N 3.13Å; N1063-M1067 WeakPolarHBondContact O-CB 3.36Å; N1063-M1067 PolarHBondContact O-N 2.93Å; N1063-N1103 VanDerWaalsContact ND2-CG 3.29Å; N1063-N1103 PolarHBondContact ND2-OD1 3.4Å
1064	V	59.9	Low	59.3	Low	72 Å²	72	86.4 Å²	86.4	44%	0.436	42%	0.424	S	S	.	.	H	α-helix	trans	-59.4	-43.5	173.9	173.1	0	0	0	0	111.1	P1059 N1060 M1067 H1068	P1059-V1064 HydrophobicContact CB-CG2 3.94Å; P1059-V1064 HydrophobicContact CG-CG2 4.31Å; N1060-V1064 WeakPolarHBondContact O-CG2 3.49Å; N1060-V1064 PolarHBondContact O-N 2.8Å; N1060-V1064 VanDerWaalsContact O-N 3.09Å; V1064-M1067 PolarHBondContact O-N 3.4Å; V1064-H1068 VanDerWaalsContact O-CB 3.32Å; V1064-H1068 WeakPolarHBondContact O-CB 3.4Å; V1064-H1068 PolarHBondContact O-N 3.2Å
1065	R	59.9	Low	61.9	Low	130 Å²	130	82.4 Å²	82.4	49%	0.491	41%	0.408	S	S	.	.	H	α-helix	trans	-59.5	-49	174.1	-80.1	175.6	177.9	-177.2	0.4	112	Q1061 S1062 N1063 M1067 H1068 T1069	Q1061-R1065 WeakPolarHBondContact O-CB 3.26Å; Q1061-R1065 VanDerWaalsContact O-CG 3.3Å; Q1061-R1065 WeakPolarHBondContact O-CG 3.49Å; Q1061-R1065 PolarHBondContact O-N 3.07Å; Q1061-R1065 VanDerWaalsContact O-N 3.07Å; S1062-R1065 PolarHBondContact O-N 3.45Å; N1063-R1065 VanDerWaalsContact C-N 3.33Å; N1063-R1065 PolarHBondContact O-N 3.17Å; R1065-M1067 VanDerWaalsContact C-N 3.35Å; R1065-M1067 PolarHBondContact O-N 3.44Å; R1065-H1068 WeakPolarHBondContact O-CB 3.34Å; R1065-H1068 PolarHBondContact O-N 3.34Å; R1065-T1069 PolarHBondContact O-N 2.86Å; R1065-T1069 PolarHBondContact O-OG1 3.13Å
1066	R	64.1	Low	64.5	Low	14 Å²	14	74.8 Å²	74.8	5%	0.053	38%	0.378	C	S	.	.	H	α-helix	trans	-67.3	-30	179.9	-73.3	-173.5	175.4	171.5	3.5	114.1	L1028 S1062 N1063 T1069 A1070 F1107	L1028-R1066 PolarHBondContact O-NH2 3.28Å; S1062-R1066 PolarHBondContact O-N 2.95Å; N1063-R1066 PolarHBondContact O-N 3.13Å; R1066-T1069 WeakPolarHBondContact O-CB 3.15Å; R1066-A1070 PolarHBondContact O-N 2.77Å; R1066-A1070 VanDerWaalsContact O-N 3.14Å; R1066-F1107 WeakPolarHBondContact O-CE2 3.44Å
1067	M	69	Low	67.4	Low	95 Å²	95	69.8 Å²	69.8	47%	0.468	34%	0.343	S	S	.	.	H	α-helix	trans	-74	-36.3	173.4	-159.7	151.3	69.1	0	0	111.3	N1063 V1064 R1065 A1070 V1071	N1063-M1067 WeakPolarHBondContact O-CB 3.36Å; N1063-M1067 PolarHBondContact O-N 2.93Å; V1064-M1067 PolarHBondContact O-N 3.4Å; R1065-M1067 VanDerWaalsContact C-N 3.35Å; R1065-M1067 PolarHBondContact O-N 3.44Å; M1067-A1070 WeakPolarHBondContact O-CB 3.49Å; M1067-A1070 PolarHBondContact O-N 2.86Å; M1067-V1071 WeakPolarHBondContact O-CG2 3.43Å; M1067-V1071 PolarHBondContact O-N 3.24Å
1068	H	73.3	Confident	70.3	Confident	98 Å²	98	63.2 Å²	63.2	45%	0.454	31%	0.311	S	S	.	.	H	α-helix	trans	-65.4	-35.9	170.9	-177.8	-84.6	0	0	0	112.7	V1064 R1065 V1071 R1072	V1064-H1068 VanDerWaalsContact O-CB 3.32Å; V1064-H1068 WeakPolarHBondContact O-CB 3.4Å; V1064-H1068 PolarHBondContact O-N 3.2Å; R1065-H1068 WeakPolarHBondContact O-CB 3.34Å; R1065-H1068 PolarHBondContact O-N 3.34Å; H1068-V1071 PolarHBondContact O-N 3.33Å; H1068-R1072 PolarHBondContact CE1-NE 3.14Å; H1068-R1072 VanDerWaalsContact CE1-NE 3.28Å; H1068-R1072 PolarHBondContact O-N 3.13Å; H1068-R1072 VanDerWaalsContact O-N 3.09Å
1069	T	76.3	Confident	73.2	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-55.2	-50.3	166.8	-56.8	0	0	0	0	110.9	S919 D920 R1065 R1066 L1073	S919-T1069 PolarHBondContact O-OG1 2.74Å; D920-T1069 VanDerWaalsContact C-CG2 3.47Å; D920-T1069 VanDerWaalsContact O-CG2 3.31Å; D920-T1069 WeakPolarHBondContact O-CG2 3.45Å; R1065-T1069 PolarHBondContact O-N 2.86Å; R1065-T1069 PolarHBondContact O-OG1 3.13Å; R1066-T1069 WeakPolarHBondContact O-CB 3.15Å; T1069-L1073 WeakPolarHBondContact O-CB 3.44Å; T1069-L1073 PolarHBondContact O-N 2.85Å; T1069-L1073 VanDerWaalsContact O-N 3.08Å
1070	A	80	Confident	75.8	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-42.7	179.7	0	0	0	0	0	113	R1066 M1067 L1073 N1074 F1107 V1110	R1066-A1070 PolarHBondContact O-N 2.77Å; R1066-A1070 VanDerWaalsContact O-N 3.14Å; M1067-A1070 WeakPolarHBondContact O-CB 3.49Å; M1067-A1070 PolarHBondContact O-N 2.86Å; A1070-L1073 PolarHBondContact O-N 3.5Å; A1070-N1074 WeakPolarHBondContact O-CB 3.27Å; A1070-N1074 PolarHBondContact O-N 2.67Å; A1070-F1107 HydrophobicContact CB-CD2 3.74Å; A1070-F1107 HydrophobicContact CB-CE2 3.73Å; A1070-F1107 HydrophobicContact CB-CG 4.27Å; A1070-F1107 HydrophobicContact CB-CZ 4.23Å; A1070-V1110 HydrophobicContact CB-CB 4.47Å; A1070-V1110 HydrophobicContact CB-CG1 3.99Å
1071	V	85.6	Confident	77.9	Confident	60 Å²	60	56.1 Å²	56.1	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-60.2	-53.3	177.6	171.3	0	0	0	0	110.9	M1067 H1068 L1073 N1074 E1075 V1110	M1067-V1071 WeakPolarHBondContact O-CG2 3.43Å; M1067-V1071 PolarHBondContact O-N 3.24Å; H1068-V1071 PolarHBondContact O-N 3.33Å; V1071-L1073 VanDerWaalsContact C-N 3.31Å; V1071-L1073 PolarHBondContact O-N 3.49Å; V1071-N1074 PolarHBondContact O-N 2.92Å; V1071-N1074 VanDerWaalsContact O-N 3.16Å; V1071-E1075 HydrophobicContact CG1-CG 4.38Å; V1071-E1075 WeakPolarHBondContact O-CG 3.43Å; V1071-E1075 PolarHBondContact O-N 3.48Å; V1071-V1110 HydrophobicContact CG2-CG1 3.7Å
1072	R	85.3	Confident	79.8	Confident	105 Å²	105	56.8 Å²	56.8	40%	0.396	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-41.2	178.9	-78	-170.9	170.4	-170.5	-3.1	113	D920 H1068 E1075 V1076	D920-R1072 IonicContact OD1-NH1 2.74Å; D920-R1072 PolarHBondContact OD1-NH1 3.16Å; D920-R1072 WeakPolarHBondContact OD2-CD 3.41Å; D920-R1072 IonicContact OD2-CZ 3.82Å; D920-R1072 IonicContact OD2-NE 3.5Å; D920-R1072 IonicContact OD2-NH1 2.83Å; D920-R1072 PolarHBondContact OD2-NH1 3Å; H1068-R1072 PolarHBondContact CE1-NE 3.14Å; H1068-R1072 VanDerWaalsContact CE1-NE 3.28Å; H1068-R1072 PolarHBondContact O-N 3.13Å; H1068-R1072 VanDerWaalsContact O-N 3.09Å; R1072-E1075 PolarHBondContact O-N 3.48Å; R1072-V1076 WeakPolarHBondContact O-CG2 3.35Å; R1072-V1076 PolarHBondContact O-N 3.04Å
1073	L	86.3	Confident	81.6	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-41.4	178	-176.9	58.5	0	0	0	111.1	I854 M916 Y924 T1069 A1070 V1071 V1076 I1077 L1111	I854-L1073 HydrophobicContact CD1-CD1 4.41Å; I854-L1073 HydrophobicContact CD1-CD2 4.06Å; M916-L1073 HydrophobicContact CE-CB 4.47Å; M916-L1073 HydrophobicContact CE-CD1 3.99Å; M916-L1073 HydrophobicContact SD-CD1 3.81Å; Y924-L1073 HydrophobicContact CE2-CD2 3.89Å; T1069-L1073 WeakPolarHBondContact O-CB 3.44Å; T1069-L1073 PolarHBondContact O-N 2.85Å; T1069-L1073 VanDerWaalsContact O-N 3.08Å; A1070-L1073 PolarHBondContact O-N 3.5Å; V1071-L1073 VanDerWaalsContact C-N 3.31Å; V1071-L1073 PolarHBondContact O-N 3.49Å; L1073-V1076 PolarHBondContact O-N 3.08Å; L1073-I1077 HydrophobicContact CD1-CD1 4.29Å; L1073-I1077 HydrophobicContact CG-CD1 4.04Å; L1073-I1077 WeakPolarHBondContact O-CD1 3.41Å; L1073-I1077 VanDerWaalsContact O-CG1 3.25Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.28Å; L1073-I1077 PolarHBondContact O-N 3.45Å; L1073-L1111 HydrophobicContact CB-CD1 4.16Å; L1073-L1111 HydrophobicContact CD2-CD1 3.61Å; L1073-L1111 HydrophobicContact CG-CD1 3.7Å
1074	N	90.9	Very high	83.2	Confident	13 Å²	13	60.5 Å²	60.5	7%	0.07	29%	0.288	C	S	.	.	H	α-helix	trans	-69.5	-38.4	175.7	-165.2	29.6	0	0	0	112.9	A1070 V1071 V1076 I1077 V1078 V1110 L1111 E1113	A1070-N1074 WeakPolarHBondContact O-CB 3.27Å; A1070-N1074 PolarHBondContact O-N 2.67Å; V1071-N1074 PolarHBondContact O-N 2.92Å; V1071-N1074 VanDerWaalsContact O-N 3.16Å; N1074-V1076 VanDerWaalsContact C-N 3.27Å; N1074-V1076 PolarHBondContact O-N 3.38Å; N1074-I1077 PolarHBondContact O-N 3.02Å; N1074-I1077 VanDerWaalsContact O-N 3.15Å; N1074-V1078 WeakPolarHBondContact O-CB 3.36Å; N1074-V1078 WeakPolarHBondContact O-CG2 3.32Å; N1074-V1078 PolarHBondContact O-N 3.22Å; N1074-V1078 WeakPolarHBondContact OD1-CG2 3.43Å; N1074-V1110 WeakPolarHBondContact CB-O 3.33Å; N1074-V1110 PolarHBondContact ND2-O 2.83Å; N1074-L1111 PolarHBondContact OD1-O 3.15Å; N1074-E1113 PolarHBondContact ND2-N 3.05Å; N1074-E1113 PolarHBondContact ND2-O 3.48Å
1075	E	89.9	Confident	84.8	Confident	110 Å²	110	60.2 Å²	60.2	51%	0.514	28%	0.281	S	S	.	.	H	α-helix	trans	-53.9	-45.5	172.8	-75	171.2	174.6	0	0	111.1	V1071 R1072 N1079	V1071-E1075 HydrophobicContact CG1-CG 4.38Å; V1071-E1075 WeakPolarHBondContact O-CG 3.43Å; V1071-E1075 PolarHBondContact O-N 3.48Å; R1072-E1075 PolarHBondContact O-N 3.48Å; E1075-N1079 VanDerWaalsContact O-CB 3.23Å; E1075-N1079 WeakPolarHBondContact O-CB 3.44Å; E1075-N1079 PolarHBondContact O-N 3.35Å; E1075-N1079 PolarHBondContact O-ND2 2.68Å
1076	V	90.9	Very high	86.5	Confident	44 Å²	44	54 Å²	54	27%	0.267	26%	0.258	S	S	.	.	H	α-helix	trans	-67.5	-39	177.5	171.6	0	0	0	0	112.3	W852 V914 R1072 L1073 N1074	W852-V1076 HydrophobicContact CH2-CG1 3.85Å; W852-V1076 HydrophobicContact CZ3-CG1 4.11Å; V914-V1076 HydrophobicContact CG1-CG1 3.9Å; R1072-V1076 WeakPolarHBondContact O-CG2 3.35Å; R1072-V1076 PolarHBondContact O-N 3.04Å; L1073-V1076 PolarHBondContact O-N 3.08Å; N1074-V1076 VanDerWaalsContact C-N 3.27Å; N1074-V1076 PolarHBondContact O-N 3.38Å
1077	I	92.3	Very high	88	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.1	-52.9	176.8	-67.6	163.4	0	0	0	110.9	W852 L1073 N1074 N1079 K1080 S1081 V1087 L1111 L1115	W852-I1077 HydrophobicContact CD2-CG1 3.79Å; W852-I1077 HydrophobicContact CE3-CG1 3.97Å; W852-I1077 HydrophobicContact CG-CG1 4.3Å; W852-I1077 HydrophobicContact CH2-CG1 4.27Å; W852-I1077 HydrophobicContact CZ2-CB 4.34Å; W852-I1077 HydrophobicContact CZ2-CG1 4.1Å; W852-I1077 HydrophobicContact CZ3-CG1 4.21Å; L1073-I1077 HydrophobicContact CD1-CD1 4.29Å; L1073-I1077 HydrophobicContact CG-CD1 4.04Å; L1073-I1077 WeakPolarHBondContact O-CD1 3.41Å; L1073-I1077 VanDerWaalsContact O-CG1 3.25Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.28Å; L1073-I1077 PolarHBondContact O-N 3.45Å; N1074-I1077 PolarHBondContact O-N 3.02Å; N1074-I1077 VanDerWaalsContact O-N 3.15Å; I1077-N1079 VanDerWaalsContact C-N 3.34Å; I1077-N1079 PolarHBondContact O-N 3.42Å; I1077-K1080 PolarHBondContact O-N 3.36Å; I1077-K1080 VanDerWaalsContact O-N 3.12Å; I1077-S1081 WeakPolarHBondContact O-CB 3.48Å; I1077-S1081 PolarHBondContact O-N 3.23Å; I1077-V1087 HydrophobicContact CG2-CG1 4.47Å; I1077-L1111 HydrophobicContact CD1-CD1 3.98Å; I1077-L1115 HydrophobicContact CG2-CD1 3.82Å; I1077-L1115 HydrophobicContact CG2-CD2 4.36Å
1078	V	93.2	Very high	89.3	Confident	17 Å²	17	49 Å²	49	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-43.7	-179.1	172.6	0	0	0	0	110.9	N1074 K1080 S1081 R1082 Q1114 L1115	N1074-V1078 WeakPolarHBondContact O-CB 3.36Å; N1074-V1078 WeakPolarHBondContact O-CG2 3.32Å; N1074-V1078 PolarHBondContact O-N 3.22Å; N1074-V1078 WeakPolarHBondContact OD1-CG2 3.43Å; V1078-K1080 PolarHBondContact O-N 3.06Å; V1078-S1081 PolarHBondContact O-N 3.44Å; V1078-R1082 HydrophobicContact CG1-CB 4.27Å; V1078-R1082 VanDerWaalsContact O-CB 3.27Å; V1078-R1082 WeakPolarHBondContact O-CB 3.13Å; V1078-R1082 PolarHBondContact O-N 3.35Å; V1078-R1082 VanDerWaalsContact O-N 3.11Å; V1078-Q1114 HydrophobicContact CG2-CB 4.29Å; V1078-L1115 HydrophobicContact CG2-CD2 3.9Å; V1078-L1115 HydrophobicContact CG2-CG 4.3Å
1079	N	93.5	Very high	90.2	Very high	139 Å²	139	44.3 Å²	44.3	74%	0.743	21%	0.212	S	C	*	.	H	α-helix	trans	-59.3	-18.6	179	-79.5	-31.4	0	0	0	114.5	E1075 I1077	E1075-N1079 VanDerWaalsContact O-CB 3.23Å; E1075-N1079 WeakPolarHBondContact O-CB 3.44Å; E1075-N1079 PolarHBondContact O-N 3.35Å; E1075-N1079 PolarHBondContact O-ND2 2.68Å; I1077-N1079 VanDerWaalsContact C-N 3.34Å; I1077-N1079 PolarHBondContact O-N 3.42Å
1080	K	91.9	Very high	90.9	Very high	69 Å²	69	44.2 Å²	44.2	30%	0.3	21%	0.212	S	C	.	.	H	α-helix	trans	-114.9	-28.3	178.2	-68.1	-170.7	172.5	-167.1	0	114.7	W852 R880 F882 E912 I1077 V1078	W852-K1080 HydrophobicContact CH2-CD 4.24Å; W852-K1080 HydrophobicContact CZ2-CB 4.11Å; W852-K1080 HydrophobicContact CZ2-CD 4.37Å; R880-K1080 PolarHBondContact NH2-O 3.48Å; F882-K1080 HydrophobicContact CD1-CD 4.15Å; F882-K1080 HydrophobicContact CE1-CB 4.43Å; F882-K1080 HydrophobicContact CE1-CD 3.93Å; F882-K1080 HydrophobicContact CZ-CB 4.43Å; E912-K1080 IonicContact OE1-NZ 2.73Å; E912-K1080 PolarHBondContact OE1-NZ 3.47Å; E912-K1080 IonicContact OE2-NZ 3.67Å; E912-K1080 PolarHBondContact OE2-NZ 3.01Å; I1077-K1080 PolarHBondContact O-N 3.36Å; I1077-K1080 VanDerWaalsContact O-N 3.12Å; V1078-K1080 PolarHBondContact O-N 3.06Å
1081	S	93.7	Very high	91.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-118.4	3.6	-167.6	-64.9	0	0	0	0	115.1	D850 W852 I1077 V1078 D1083 A1084	D850-S1081 WeakPolarHBondContact OD2-CA 3.26Å; D850-S1081 WeakPolarHBondContact OD2-CB 3.38Å; D850-S1081 PolarHBondContact OD2-OG 2.98Å; W852-S1081 PolarHBondContact NE1-OG 2.98Å; I1077-S1081 WeakPolarHBondContact O-CB 3.48Å; I1077-S1081 PolarHBondContact O-N 3.23Å; V1078-S1081 PolarHBondContact O-N 3.44Å; S1081-D1083 VanDerWaalsContact C-N 3.31Å; S1081-D1083 PolarHBondContact O-N 3.34Å; S1081-A1084 WeakPolarHBondContact O-CB 3.43Å; S1081-A1084 PolarHBondContact O-N 3.14Å; S1081-A1084 VanDerWaalsContact O-N 3.07Å
1082	R	89.8	Confident	91.4	Very high	158 Å²	158	41.9 Å²	41.9	60%	0.596	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-44.1	179	-176.9	176	-175.1	172.9	2.8	114.3	V1078 A1084	V1078-R1082 HydrophobicContact CG1-CB 4.27Å; V1078-R1082 VanDerWaalsContact O-CB 3.27Å; V1078-R1082 WeakPolarHBondContact O-CB 3.13Å; V1078-R1082 PolarHBondContact O-N 3.35Å; V1078-R1082 VanDerWaalsContact O-N 3.11Å; R1082-A1084 VanDerWaalsContact C-N 3.35Å
1083	D	89.4	Confident	91.2	Very high	136 Å²	136	37 Å²	37	73%	0.727	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	0.8	-177	-59.7	-46.5	0	0	0	114.1	S1081	S1081-D1083 VanDerWaalsContact C-N 3.31Å; S1081-D1083 PolarHBondContact O-N 3.34Å
1084	A	92.4	Very high	91.1	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.033	19%	0.185	C	C	.	.			trans	-64.8	147.2	-178.5	0	0	0	0	0	111.6	D850 S1081 R1082 V1087	D850-A1084 HydrophobicContact CB-CB 4.11Å; S1081-A1084 WeakPolarHBondContact O-CB 3.43Å; S1081-A1084 PolarHBondContact O-N 3.14Å; S1081-A1084 VanDerWaalsContact O-N 3.07Å; R1082-A1084 VanDerWaalsContact C-N 3.35Å; A1084-V1087 HydrophobicContact CB-CG2 4.13Å
1085	K	93.3	Very high	90.6	Very high	67 Å²	67	37.3 Å²	37.3	29%	0.291	18%	0.182	S	C	.	.	S	Bend	trans	-81.9	-20.8	179.4	-57.1	-50.8	178.5	-150.2	0	112.6	F844 S848 W874 R1117	F844-K1085 HydrophobicContact CD1-CD 4.46Å; F844-K1085 HydrophobicContact CD1-CG 4.39Å; F844-K1085 HydrophobicContact CE1-CD 4.43Å; F844-K1085 HydrophobicContact CE2-CB 4.35Å; F844-K1085 HydrophobicContact CG-CG 4.49Å; F844-K1085 HydrophobicContact CZ-CB 4.42Å; S848-K1085 PolarHBondContact O-N 3.47Å; W874-K1085 HydrophobicContact CZ3-CB 4.09Å; K1085-R1117 WeakPolarHBondContact O-CD 3.42Å; K1085-R1117 PolarHBondContact O-NE 2.91Å
1086	L	94.9	Very high	89.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	134.1	168.9	179.1	64.2	0	0	0	109.1	F837 I849 D850 L868 W874 L1088 R1117 M1119	F837-L1086 HydrophobicContact CE1-CD1 3.83Å; F837-L1086 HydrophobicContact CZ-CD1 3.74Å; I849-L1086 WeakPolarHBondContact CA-O 3.45Å; I849-L1086 HydrophobicContact CG1-CB 4.44Å; I849-L1086 HydrophobicContact CG2-CB 4.28Å; I849-L1086 HydrophobicContact CG2-CD2 4.33Å; I849-L1086 HydrophobicContact CG2-CG 4.5Å; D850-L1086 PolarHBondContact N-O 2.86Å; L868-L1086 HydrophobicContact CD2-CD2 3.55Å; W874-L1086 HydrophobicContact CH2-CB 3.84Å; W874-L1086 HydrophobicContact CH2-CD2 4.27Å; W874-L1086 HydrophobicContact CZ3-CB 3.69Å; W874-L1086 HydrophobicContact CZ3-CD2 4.43Å; L1086-L1088 HydrophobicContact CD2-CD1 3.84Å; L1086-L1088 HydrophobicContact CG-CD1 3.9Å; L1086-R1117 HydrophobicContact CD1-CB 4.15Å; L1086-M1119 HydrophobicContact CD1-CB 4.31Å
1087	V	96	Very high	89.1	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.2	170.4	-173.1	0	0	0	0	109	D850 I1077 A1084 L1089 L1115 R1117 V1118 M1119	D850-V1087 WeakPolarHBondContact O-CA 3.22Å; I1077-V1087 HydrophobicContact CG2-CG1 4.47Å; A1084-V1087 HydrophobicContact CB-CG2 4.13Å; V1087-L1089 HydrophobicContact CG1-CD2 4.14Å; V1087-L1115 HydrophobicContact CG1-CD1 4.47Å; V1087-L1115 HydrophobicContact CG2-CD2 4.49Å; V1087-R1117 PolarHBondContact N-O 3.42Å; V1087-V1118 WeakPolarHBondContact O-CA 3.49Å; V1087-M1119 PolarHBondContact O-N 2.87Å
1088	L	95.5	Very high	88.5	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.8	166.6	-67.4	84	0	0	0	108.6	I849 D850 W852 L861 L864 P865 L1086 M1119 V1121	I849-L1088 HydrophobicContact CG2-CD1 3.46Å; I849-L1088 VanDerWaalsContact CG2-CD1 3.46Å; D850-L1088 PolarHBondContact O-N 2.86Å; W852-L1088 PolarHBondContact N-O 2.84Å; L861-L1088 HydrophobicContact CD2-CB 4.35Å; L864-L1088 HydrophobicContact CB-CD2 4.07Å; P865-L1088 HydrophobicContact CG-CD1 3.93Å; P865-L1088 HydrophobicContact CG-CD2 3.63Å; P865-L1088 HydrophobicContact CG-CG 4.41Å; L1086-L1088 HydrophobicContact CD2-CD1 3.84Å; L1086-L1088 HydrophobicContact CG-CD1 3.9Å; L1088-M1119 WeakPolarHBondContact CA-O 3.43Å; L1088-M1119 HydrophobicContact CD2-CE 3.45Å; L1088-M1119 VanDerWaalsContact CD2-CE 3.45Å; L1088-M1119 HydrophobicContact CG-CE 3.86Å; L1088-V1121 HydrophobicContact CD2-CG2 4.33Å
1089	L	93.4	Very high	87.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.2	167	64.8	145.2	0	0	0	110.3	W852 V1087 L1111 T1112 V1118 M1119 L1120 V1121	W852-L1089 HydrophobicContact CB-CB 3.91Å; V1087-L1089 HydrophobicContact CG1-CD2 4.14Å; L1089-L1111 HydrophobicContact CD1-CD1 4.33Å; L1089-L1111 HydrophobicContact CD1-CD2 3.78Å; L1089-L1111 HydrophobicContact CD1-CG 3.88Å; L1089-T1112 HydrophobicContact CD2-CG2 4.4Å; L1089-V1118 HydrophobicContact CD2-CG1 3.51Å; L1089-M1119 PolarHBondContact N-O 2.97Å; L1089-L1120 HydrophobicContact CD1-CD2 3.95Å; L1089-L1120 HydrophobicContact CD2-CD2 3.72Å; L1089-L1120 HydrophobicContact CG-CD2 3.57Å; L1089-L1120 WeakPolarHBondContact O-CA 3.17Å; L1089-V1121 PolarHBondContact O-N 3.26Å
1090	N	90.4	Very high	86.9	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	143.6	177.2	57.4	-60.3	0	0	0	113.4	I854 L861 Y924 V1121	I854-N1090 WeakPolarHBondContact CA-OD1 3.47Å; I854-N1090 VanDerWaalsContact CB-OD1 3.28Å; I854-N1090 WeakPolarHBondContact CB-OD1 3.48Å; I854-N1090 PolarHBondContact N-OD1 3.2Å; I854-N1090 PolarHBondContact O-ND2 2.73Å; L861-N1090 HydrophobicContact CD1-CB 4.21Å; Y924-N1090 WeakPolarHBondContact CD1-ND2 3.43Å; Y924-N1090 WeakPolarHBondContact CE1-ND2 3.48Å; Y924-N1090 VanDerWaalsContact CE1-O 3.31Å; Y924-N1090 WeakPolarHBondContact CE1-O 3.2Å; Y924-N1090 PolarHBondContact OH-O 2.84Å; N1090-V1121 CarbonylContact C-O 3.24Å; N1090-V1121 WeakPolarHBondContact CA-O 3.39Å
1091	M	89.1	Confident	86.5	Confident	5 Å²	5	48 Å²	48	3%	0.025	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-93.6	125.4	-179	179.7	-174.5	-80.5	0	0	111	F814 V818 L828 V830 Y1104 L1108 L1120 V1121 R1122	F814-M1091 HydrophobicContact CZ-CE 4.49Å; V818-M1091 HydrophobicContact CG1-SD 4.27Å; L828-M1091 HydrophobicContact CD2-SD 4.36Å; V830-M1091 HydrophobicContact CB-CE 4.13Å; V830-M1091 HydrophobicContact CG2-CE 3.75Å; M1091-Y1104 WeakPolarHBondContact CG-OH 3.31Å; M1091-Y1104 PolarHBondContact SD-OH 3.46Å; M1091-L1108 HydrophobicContact CE-CD1 4.01Å; M1091-L1108 HydrophobicContact CG-CD1 4.49Å; M1091-L1108 HydrophobicContact CG-CD2 4.04Å; M1091-L1108 HydrophobicContact SD-CD1 4.46Å; M1091-L1120 HydrophobicContact CB-CB 4.42Å; M1091-L1120 HydrophobicContact CE-CB 3.85Å; M1091-L1120 HydrophobicContact CE-CD1 3.53Å; M1091-L1120 HydrophobicContact CE-CG 4.34Å; M1091-V1121 PolarHBondContact N-O 2.89Å; M1091-R1122 HydrophobicContact CB-CB 4.43Å; M1091-R1122 PolarHBondContact O-NH1 3.49Å; M1091-R1122 VanDerWaalsContact O-NH1 3.11Å
1092	P	86.8	Confident	86	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.032	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-70.5	165.1	-180	31.7	-36.7	0	0	0	112.5	Y924 Y1104 F1107 L1108 R1122	Y924-P1092 HydrophobicContact CD1-CB 4.18Å; Y924-P1092 HydrophobicContact CE1-CB 3.93Å; Y924-P1092 HydrophobicContact CE1-CG 4.35Å; P1092-Y1104 HydrophobicContact CG-CE2 4.3Å; P1092-Y1104 WeakPolarHBondContact O-CE2 3.36Å; P1092-Y1104 PolarHBondContact O-OH 2.88Å; P1092-F1107 HydrophobicContact CG-CD1 4.2Å; P1092-F1107 HydrophobicContact CG-CE1 3.75Å; P1092-L1108 HydrophobicContact CG-CD2 4.42Å; P1092-R1122 PolarHBondContact O-NH1 2.95Å; P1092-R1122 VanDerWaalsContact O-NH1 3.1Å
1093	G	81.8	Confident	85.8	Confident	3 Å²	3	48.7 Å²	48.7	3%	0.031	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-54.9	130.3	177.6	0	0	0	0	0	113.9	E927 Y1104	E927-G1093 WeakPolarHBondContact OE2-CA 3.43Å; G1093-Y1104 VanDerWaalsContact O-CE2 3.31Å; G1093-Y1104 WeakPolarHBondContact O-CE2 3.29Å
1094	P	84.2	Confident	85.6	Confident	18 Å²	18	42.2 Å²	42.2	12%	0.117	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-64.3	147.7	166.4	30.2	-35.3	0	0	0	109.6	V818 R819 R1096 Y1104	V818-P1094 HydrophobicContact CG1-CG 4.04Å; R819-P1094 HydrophobicContact CG-CG 4.23Å; P1094-R1096 PolarHBondContact O-N 3.18Å; P1094-Y1104 HydrophobicContact CB-CD1 4.49Å; P1094-Y1104 HydrophobicContact CB-CE1 4.07Å; P1094-Y1104 HydrophobicContact CB-CE2 4.28Å
1095	P	80.2	Confident	85.4	Confident	1 Å²	1	42 Å²	42	1%	0.006	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-60.1	139.3	-178.3	24.8	-35.4	0	0	0	111.9	R819 W1030 N1097 D1101	R819-P1095 PolarHBondContact NH2-O 3.35Å; W1030-P1095 HydrophobicContact CB-CB 3.78Å; W1030-P1095 HydrophobicContact CD2-CB 3.8Å; W1030-P1095 HydrophobicContact CE3-CB 4.3Å; W1030-P1095 HydrophobicContact CG-CB 3.61Å; P1095-N1097 PolarHBondContact O-N 3.31Å; P1095-D1101 WeakPolarHBondContact CG-OD1 3.24Å
1096	R	72.1	Confident	85.2	Confident	219 Å²	219	41.3 Å²	41.3	83%	0.826	19%	0.189	S	C	*	.	S	Bend	trans	-60.7	-33.1	170.3	-71.4	-172.9	176.9	-170.6	-1.3	112.3	P1094	P1094-R1096 PolarHBondContact O-N 3.18Å
1097	N	77.9	Confident	84.8	Confident	90 Å²	90	41.6 Å²	41.6	48%	0.481	19%	0.191	S	C	.	.	S	Bend	trans	-99.6	122.9	-177.9	-63.1	1.7	0	0	0	110.1	T1031 P1095 N1099 G1100	T1031-N1097 HydrophobicContact CG2-CB 3.43Å; T1031-N1097 VanDerWaalsContact CG2-CB 3.43Å; P1095-N1097 PolarHBondContact O-N 3.31Å; N1097-N1099 PolarHBondContact O-N 3.45Å; N1097-G1100 PolarHBondContact O-N 3.42Å
1098	R	78.8	Confident	84.5	Confident	154 Å²	154	41.4 Å²	41.4	58%	0.581	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-57.6	-19.1	-178.7	-75.5	-174.4	170.1	148.4	-1.2	115.3	E816 G1100 D1101	E816-R1098 IonicContact OE1-CZ 3.54Å; E816-R1098 IonicContact OE1-NE 3.61Å; E816-R1098 PolarHBondContact OE1-NE 2.95Å; E816-R1098 IonicContact OE1-NH2 2.64Å; E816-R1098 PolarHBondContact OE1-NH2 3.42Å; E816-R1098 IonicContact OE2-CZ 3.59Å; E816-R1098 IonicContact OE2-NH2 3.93Å; E816-R1098 PolarHBondContact OE2-NH2 2.95Å; R1098-G1100 PolarHBondContact O-N 3.28Å; R1098-D1101 VanDerWaalsContact CA-OD1 3.29Å; R1098-D1101 WeakPolarHBondContact CA-OD1 3.4Å; R1098-D1101 WeakPolarHBondContact O-CB 3.42Å; R1098-D1101 PolarHBondContact O-N 2.98Å
1099	N	73.8	Confident	84.3	Confident	128 Å²	128	42.6 Å²	42.6	68%	0.684	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-70.9	-10.2	175.6	-60.8	-1.5	0	0	0	113.1	T1031 N1097	T1031-N1099 HydrophobicContact CG2-CB 4Å; N1097-N1099 PolarHBondContact O-N 3.45Å
1100	G	78.8	Confident	84.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-90.8	-10.2	176.1	0	0	0	0	0	114.6	W1030 N1097 R1098 E1102 N1103 Y1104	W1030-G1100 WeakPolarHBondContact O-CA 3.48Å; N1097-G1100 PolarHBondContact O-N 3.42Å; R1098-G1100 PolarHBondContact O-N 3.28Å; G1100-E1102 PolarHBondContact O-N 3Å; G1100-N1103 WeakPolarHBondContact O-CB 3.31Å; G1100-N1103 PolarHBondContact O-N 3.46Å; G1100-N1103 PolarHBondContact O-ND2 3.48Å; G1100-Y1104 PolarHBondContact O-N 2.88Å
1101	D	84.4	Confident	84.1	Confident	12 Å²	12	43.5 Å²	43.5	6%	0.064	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-38.2	-160.8	-71.2	12.6	0	0	0	114.1	W811 I815 R819 P1095 R1098 Y1104 M1105	W811-D1101 HydrophobicContact CZ3-CB 3.9Å; I815-D1101 HydrophobicContact CD1-CB 3.61Å; I815-D1101 VanDerWaalsContact CD1-O 3.3Å; I815-D1101 WeakPolarHBondContact CD1-O 3.31Å; R819-D1101 IonicContact CZ-OD1 3.65Å; R819-D1101 IonicContact CZ-OD2 3.57Å; R819-D1101 IonicContact NH1-OD1 3.33Å; R819-D1101 IonicContact NH1-OD2 2.73Å; R819-D1101 PolarHBondContact NH1-OD2 3.48Å; R819-D1101 IonicContact NH2-OD1 3.38Å; R819-D1101 PolarHBondContact NH2-OD1 3.39Å; R819-D1101 IonicContact NH2-OD2 3.53Å; R819-D1101 PolarHBondContact NH2-OD2 3.46Å; P1095-D1101 WeakPolarHBondContact CG-OD1 3.24Å; R1098-D1101 VanDerWaalsContact CA-OD1 3.29Å; R1098-D1101 WeakPolarHBondContact CA-OD1 3.4Å; R1098-D1101 WeakPolarHBondContact O-CB 3.42Å; R1098-D1101 PolarHBondContact O-N 2.98Å; D1101-Y1104 WeakPolarHBondContact O-CB 3.35Å; D1101-Y1104 PolarHBondContact O-N 2.71Å; D1101-M1105 PolarHBondContact O-N 3.32Å
1102	E	84.2	Confident	84.2	Confident	117 Å²	117	43.3 Å²	43.3	55%	0.547	20%	0.2	S	C	.	.	H	α-helix	trans	-66.4	-40.9	175.9	-170.4	174.7	-179.1	0	0	111.9	W811 G1100 Y1104 M1105 E1106	W811-E1102 HydrophobicContact CH2-CB 3.9Å; W811-E1102 HydrophobicContact CH2-CG 4.43Å; W811-E1102 HydrophobicContact CZ3-CB 4.44Å; G1100-E1102 PolarHBondContact O-N 3Å; E1102-Y1104 PolarHBondContact O-N 3.13Å; E1102-M1105 PolarHBondContact O-N 3.09Å; E1102-E1106 PolarHBondContact O-N 3.22Å
1103	N	83.8	Confident	84.3	Confident	58 Å²	58	47.1 Å²	47.1	31%	0.31	22%	0.217	S	C	.	.	H	α-helix	trans	-66.3	-27.6	176.7	-50.9	-83.7	0	0	0	112	N1063 G1100 F1107	N1063-N1103 VanDerWaalsContact ND2-CG 3.29Å; N1063-N1103 PolarHBondContact ND2-OD1 3.4Å; G1100-N1103 WeakPolarHBondContact O-CB 3.31Å; G1100-N1103 PolarHBondContact O-N 3.46Å; G1100-N1103 PolarHBondContact O-ND2 3.48Å; N1103-F1107 VanDerWaalsContact O-CB 3.28Å; N1103-F1107 WeakPolarHBondContact O-CB 3.33Å; N1103-F1107 PolarHBondContact O-N 3.44Å
1104	Y	87	Confident	84.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72.2	-40.4	175.7	-179.9	-103.2	0	0	0	111.8	I815 W1030 M1091 P1092 G1093 P1094 G1100 D1101 E1102 F1107 L1108	I815-Y1104 HydrophobicContact CG1-CD1 4.37Å; W1030-Y1104 AromaticContact CH2-CD2 3.89Å; W1030-Y1104 HydrophobicContact CH2-CD2 3.89Å; W1030-Y1104 HydrophobicContact CZ2-CD2 4.48Å; W1030-Y1104 HydrophobicContact CZ3-CD2 4.36Å; M1091-Y1104 WeakPolarHBondContact CG-OH 3.31Å; M1091-Y1104 PolarHBondContact SD-OH 3.46Å; P1092-Y1104 HydrophobicContact CG-CE2 4.3Å; P1092-Y1104 WeakPolarHBondContact O-CE2 3.36Å; P1092-Y1104 PolarHBondContact O-OH 2.88Å; G1093-Y1104 VanDerWaalsContact O-CE2 3.31Å; G1093-Y1104 WeakPolarHBondContact O-CE2 3.29Å; P1094-Y1104 HydrophobicContact CB-CD1 4.49Å; P1094-Y1104 HydrophobicContact CB-CE1 4.07Å; P1094-Y1104 HydrophobicContact CB-CE2 4.28Å; G1100-Y1104 PolarHBondContact O-N 2.88Å; D1101-Y1104 WeakPolarHBondContact O-CB 3.35Å; D1101-Y1104 PolarHBondContact O-N 2.71Å; E1102-Y1104 PolarHBondContact O-N 3.13Å; Y1104-F1107 PolarHBondContact O-N 3.39Å; Y1104-L1108 HydrophobicContact CD1-CD1 4.06Å; Y1104-L1108 HydrophobicContact CE1-CD1 3.54Å; Y1104-L1108 HydrophobicContact CE1-CG 4.4Å; Y1104-L1108 HydrophobicContact CE2-CD1 4.49Å; Y1104-L1108 WeakPolarHBondContact O-CG 3.36Å; Y1104-L1108 PolarHBondContact O-N 2.95Å
1105	M	88.3	Confident	84.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-44.5	173.8	-71.5	-64.5	-59.9	0	0	112.1	W798 P799 W802 W811 F814 I815 D1101 E1102 F1107 L1108 E1109	W798-M1105 HydrophobicContact CH2-CE 3.5Å; W798-M1105 HydrophobicContact CH2-SD 4.01Å; W798-M1105 HydrophobicContact CZ2-CE 3.53Å; W798-M1105 HydrophobicContact CZ3-CE 4.27Å; P799-M1105 HydrophobicContact CG-CE 3.9Å; W802-M1105 HydrophobicContact CD2-CB 4.33Å; W802-M1105 HydrophobicContact CD2-CE 3.86Å; W802-M1105 HydrophobicContact CE3-CB 4.07Å; W802-M1105 HydrophobicContact CE3-CE 4.48Å; W802-M1105 HydrophobicContact CG-CE 3.92Å; W802-M1105 HydrophobicContact CH2-CB 3.45Å; W802-M1105 VanDerWaalsContact CH2-CB 3.45Å; W802-M1105 HydrophobicContact CZ2-CB 3.73Å; W802-M1105 HydrophobicContact CZ2-CE 4.48Å; W802-M1105 HydrophobicContact CZ3-CB 3.64Å; W811-M1105 HydrophobicContact CB-CE 4.25Å; W811-M1105 HydrophobicContact CB-CG 4.47Å; W811-M1105 HydrophobicContact CE3-CG 4.1Å; F814-M1105 HydrophobicContact CD1-CE 4.27Å; F814-M1105 HydrophobicContact CD1-SD 3.72Å; F814-M1105 HydrophobicContact CE1-CE 4.47Å; F814-M1105 HydrophobicContact CE1-SD 3.88Å; I815-M1105 HydrophobicContact CD1-CG 3.81Å; I815-M1105 HydrophobicContact CD1-SD 4.39Å; I815-M1105 HydrophobicContact CG1-CG 4.24Å; I815-M1105 HydrophobicContact CG1-SD 4.17Å; D1101-M1105 PolarHBondContact O-N 3.32Å; E1102-M1105 PolarHBondContact O-N 3.09Å; M1105-F1107 VanDerWaalsContact C-N 3.34Å; M1105-F1107 PolarHBondContact O-N 3.3Å; M1105-L1108 PolarHBondContact O-N 3.28Å; M1105-E1109 WeakPolarHBondContact O-CB 3.34Å; M1105-E1109 PolarHBondContact O-N 3.14Å
1106	E	87.1	Confident	85.3	Confident	51 Å²	51	56.7 Å²	56.7	24%	0.238	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-42.6	173.7	-79.1	-58	149.7	0	0	112	W802 R803 E1102 L1108 E1109 V1110	W802-E1106 HydrophobicContact CH2-CG 3.88Å; W802-E1106 WeakPolarHBondContact CH2-OE1 3.44Å; R803-E1106 IonicContact CZ-OE1 3.52Å; R803-E1106 IonicContact CZ-OE2 2.65Å; R803-E1106 IonicContact NE-OE1 3.54Å; R803-E1106 PolarHBondContact NE-OE1 2.89Å; R803-E1106 IonicContact NE-OE2 3.55Å; R803-E1106 IonicContact NH2-OE1 2.69Å; R803-E1106 IonicContact NH2-OE2 3.61Å; R803-E1106 PolarHBondContact NH2-OE2 2.83Å; E1102-E1106 PolarHBondContact O-N 3.22Å; E1106-L1108 PolarHBondContact O-N 3.5Å; E1106-E1109 PolarHBondContact O-N 3.36Å; E1106-V1110 WeakPolarHBondContact O-CB 3.34Å; E1106-V1110 VanDerWaalsContact O-CG2 3.3Å; E1106-V1110 WeakPolarHBondContact O-CG2 3.36Å; E1106-V1110 PolarHBondContact O-N 2.94Å
1107	F	88.2	Confident	86.3	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-57.7	-46.6	175.3	-178.9	-80	0	0	0	112.1	A923 R1066 A1070 P1092 N1103 Y1104 M1105 L1111	A923-F1107 HydrophobicContact CB-CE2 4Å; A923-F1107 HydrophobicContact CB-CZ 3.73Å; R1066-F1107 WeakPolarHBondContact O-CE2 3.44Å; A1070-F1107 HydrophobicContact CB-CD2 3.74Å; A1070-F1107 HydrophobicContact CB-CE2 3.73Å; A1070-F1107 HydrophobicContact CB-CG 4.27Å; A1070-F1107 HydrophobicContact CB-CZ 4.23Å; P1092-F1107 HydrophobicContact CG-CD1 4.2Å; P1092-F1107 HydrophobicContact CG-CE1 3.75Å; N1103-F1107 VanDerWaalsContact O-CB 3.28Å; N1103-F1107 WeakPolarHBondContact O-CB 3.33Å; N1103-F1107 PolarHBondContact O-N 3.44Å; Y1104-F1107 PolarHBondContact O-N 3.39Å; M1105-F1107 VanDerWaalsContact C-N 3.34Å; M1105-F1107 PolarHBondContact O-N 3.3Å; F1107-L1111 HydrophobicContact CD1-CD2 4.47Å; F1107-L1111 HydrophobicContact CE1-CD2 3.8Å; F1107-L1111 WeakPolarHBondContact O-CB 3.24Å; F1107-L1111 PolarHBondContact O-N 3.39Å
1108	L	89.9	Confident	87.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.1	-37.5	179.6	-70.7	179.5	0	0	0	113	W798 M1091 P1092 Y1104 M1105 E1106 T1112 L1120	W798-L1108 HydrophobicContact CH2-CB 3.67Å; W798-L1108 HydrophobicContact CH2-CD1 3.99Å; W798-L1108 HydrophobicContact CZ3-CB 4.32Å; W798-L1108 HydrophobicContact CZ3-CD1 4.04Å; M1091-L1108 HydrophobicContact CE-CD1 4.01Å; M1091-L1108 HydrophobicContact CG-CD1 4.49Å; M1091-L1108 HydrophobicContact CG-CD2 4.04Å; M1091-L1108 HydrophobicContact SD-CD1 4.46Å; P1092-L1108 HydrophobicContact CG-CD2 4.42Å; Y1104-L1108 HydrophobicContact CD1-CD1 4.06Å; Y1104-L1108 HydrophobicContact CE1-CD1 3.54Å; Y1104-L1108 HydrophobicContact CE1-CG 4.4Å; Y1104-L1108 HydrophobicContact CE2-CD1 4.49Å; Y1104-L1108 WeakPolarHBondContact O-CG 3.36Å; Y1104-L1108 PolarHBondContact O-N 2.95Å; M1105-L1108 PolarHBondContact O-N 3.28Å; E1106-L1108 PolarHBondContact O-N 3.5Å; L1108-T1112 PolarHBondContact O-N 3.06Å; L1108-T1112 PolarHBondContact O-OG1 3.03Å; L1108-L1120 HydrophobicContact CD2-CD1 4.48Å
1109	E	89.8	Confident	87.9	Confident	25 Å²	25	36.1 Å²	36.1	12%	0.117	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-49.5	178.5	-165.3	65.6	-112.3	0	0	110.3	W798 W802 K832 M1105 E1106 L1111 T1112 E1113	W798-E1109 WeakPolarHBondContact CZ2-OE2 3.5Å; W798-E1109 PolarHBondContact NE1-OE2 3.46Å; W802-E1109 HydrophobicContact CZ2-CB 3.97Å; W802-E1109 HydrophobicContact CZ2-CG 4.23Å; W802-E1109 PolarHBondContact NE1-OE2 2.93Å; K832-E1109 WeakPolarHBondContact CE-OE1 3.08Å; K832-E1109 IonicContact NZ-OE1 2.78Å; K832-E1109 PolarHBondContact NZ-OE1 3.22Å; M1105-E1109 WeakPolarHBondContact O-CB 3.34Å; M1105-E1109 PolarHBondContact O-N 3.14Å; E1106-E1109 PolarHBondContact O-N 3.36Å; E1109-L1111 PolarHBondContact O-N 3.13Å; E1109-T1112 CarbonylContact O-C 3.49Å; E1109-T1112 PolarHBondContact O-N 2.96Å; E1109-T1112 VanDerWaalsContact O-N 3.1Å; E1109-T1112 PolarHBondContact O-OG1 2.95Å; E1109-E1113 PolarHBondContact O-N 2.99Å; E1109-E1113 VanDerWaalsContact O-N 3.1Å
1110	V	90.1	Very high	88.9	Confident	20 Å²	20	30.1 Å²	30.1	12%	0.121	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-39.4	176	170.7	0	0	0	0	112.4	A1070 V1071 N1074 E1106 T1112	A1070-V1110 HydrophobicContact CB-CB 4.47Å; A1070-V1110 HydrophobicContact CB-CG1 3.99Å; V1071-V1110 HydrophobicContact CG2-CG1 3.7Å; N1074-V1110 WeakPolarHBondContact CB-O 3.33Å; N1074-V1110 PolarHBondContact ND2-O 2.83Å; E1106-V1110 WeakPolarHBondContact O-CB 3.34Å; E1106-V1110 VanDerWaalsContact O-CG2 3.3Å; E1106-V1110 WeakPolarHBondContact O-CG2 3.36Å; E1106-V1110 PolarHBondContact O-N 2.94Å; V1110-T1112 PolarHBondContact O-N 2.93Å
1111	L	89.9	Confident	89.6	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-17.8	176.2	179.1	59	0	0	0	113.3	Y924 L1073 N1074 I1077 L1089 F1107 E1109	Y924-L1111 WeakPolarHBondContact OH-CD2 3.4Å; L1073-L1111 HydrophobicContact CB-CD1 4.16Å; L1073-L1111 HydrophobicContact CD2-CD1 3.61Å; L1073-L1111 HydrophobicContact CG-CD1 3.7Å; N1074-L1111 PolarHBondContact OD1-O 3.15Å; I1077-L1111 HydrophobicContact CD1-CD1 3.98Å; L1089-L1111 HydrophobicContact CD1-CD1 4.33Å; L1089-L1111 HydrophobicContact CD1-CD2 3.78Å; L1089-L1111 HydrophobicContact CD1-CG 3.88Å; F1107-L1111 HydrophobicContact CD1-CD2 4.47Å; F1107-L1111 HydrophobicContact CE1-CD2 3.8Å; F1107-L1111 WeakPolarHBondContact O-CB 3.24Å; F1107-L1111 PolarHBondContact O-N 3.39Å; E1109-L1111 PolarHBondContact O-N 3.13Å
1112	T	91.1	Very high	89.9	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.012	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	24.3	-175.7	58.4	0	0	0	0	112.6	K832 L1089 L1108 E1109 V1110 V1118 L1120	K832-T1112 WeakPolarHBondContact CD-OG1 3.37Å; K832-T1112 PolarHBondContact NZ-O 3.24Å; K832-T1112 PolarHBondContact NZ-OG1 3.09Å; L1089-T1112 HydrophobicContact CD2-CG2 4.4Å; L1108-T1112 PolarHBondContact O-N 3.06Å; L1108-T1112 PolarHBondContact O-OG1 3.03Å; E1109-T1112 CarbonylContact O-C 3.49Å; E1109-T1112 PolarHBondContact O-N 2.96Å; E1109-T1112 VanDerWaalsContact O-N 3.1Å; E1109-T1112 PolarHBondContact O-OG1 2.95Å; V1110-T1112 PolarHBondContact O-N 2.93Å; T1112-V1118 HydrophobicContact CG2-CG1 3.99Å; T1112-L1120 HydrophobicContact CG2-CD2 3.88Å
1113	E	89.9	Confident	90.1	Very high	84 Å²	84	25.8 Å²	25.8	39%	0.393	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	143.6	177.5	-166.7	131.9	-140.4	0	0	110.2	N1074 E1109 L1115	N1074-E1113 PolarHBondContact ND2-N 3.05Å; N1074-E1113 PolarHBondContact ND2-O 3.48Å; E1109-E1113 PolarHBondContact O-N 2.99Å; E1109-E1113 VanDerWaalsContact O-N 3.1Å; E1113-L1115 VanDerWaalsContact C-N 3.28Å; E1113-L1115 PolarHBondContact O-N 2.89Å
1114	Q	87	Confident	90.1	Very high	141 Å²	141	23.5 Å²	23.5	66%	0.659	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	15.4	-175	-45.8	-174	24.5	0	0	116.7	V1078	V1078-Q1114 HydrophobicContact CG2-CB 4.29Å
1115	L	90.5	Very high	89.6	Confident	7 Å²	7	25 Å²	25	4%	0.037	13%	0.133	C	C	.	.			trans	-107.2	132	175.2	-60.7	178.6	0	0	0	112.6	N833 I1077 V1078 V1087 E1113 V1118	N833-L1115 PolarHBondContact ND2-O 3.49Å; N833-L1115 VanDerWaalsContact ND2-O 3.13Å; I1077-L1115 HydrophobicContact CG2-CD1 3.82Å; I1077-L1115 HydrophobicContact CG2-CD2 4.36Å; V1078-L1115 HydrophobicContact CG2-CD2 3.9Å; V1078-L1115 HydrophobicContact CG2-CG 4.3Å; V1087-L1115 HydrophobicContact CG1-CD1 4.47Å; V1087-L1115 HydrophobicContact CG2-CD2 4.49Å; E1113-L1115 VanDerWaalsContact C-N 3.28Å; E1113-L1115 PolarHBondContact O-N 2.89Å; L1115-V1118 HydrophobicContact CB-CG2 3.47Å; L1115-V1118 VanDerWaalsContact CB-CG2 3.47Å; L1115-V1118 HydrophobicContact CD1-CG2 3.95Å; L1115-V1118 HydrophobicContact CG-CG2 4.38Å
1116	D	88.3	Confident	89	Confident	75 Å²	75	31.9 Å²	31.9	40%	0.401	16%	0.158	S	C	.	.	S	Bend	trans	-66.3	-59.1	-170.9	-130.8	39.3	0	0	0	113.1	N833	N833-D1116 VanDerWaalsContact CB-O 3.31Å; N833-D1116 WeakPolarHBondContact CB-O 3.43Å; N833-D1116 PolarHBondContact ND2-O 3.5Å
1117	R	93.3	Very high	88.8	Confident	26 Å²	26	30.1 Å²	30.1	10%	0.098	15%	0.15	C	C	.	.	S	Bend	trans	-132.6	115.5	-178.4	-80.6	170.8	-75.2	-73.5	-27.4	108.7	M836 F837 K1085 L1086 V1087	M836-R1117 HydrophobicContact CB-CG 4.05Å; M836-R1117 VanDerWaalsContact O-CD 3.27Å; M836-R1117 WeakPolarHBondContact O-CD 3.22Å; M836-R1117 PolarHBondContact O-NH1 3.44Å; F837-R1117 HydrophobicContact CD2-CG 3.99Å; F837-R1117 HydrophobicContact CE2-CB 4.1Å; F837-R1117 HydrophobicContact CE2-CG 3.94Å; F837-R1117 HydrophobicContact CG-CG 4.48Å; F837-R1117 HydrophobicContact CZ-CB 4.19Å; F837-R1117 HydrophobicContact CZ-CG 4.39Å; K1085-R1117 WeakPolarHBondContact O-CD 3.42Å; K1085-R1117 PolarHBondContact O-NE 2.91Å; L1086-R1117 HydrophobicContact CD1-CB 4.15Å; V1087-R1117 PolarHBondContact N-O 3.42Å
1118	V	94.5	Very high	88.5	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.3	-178.4	-174.1	0	0	0	0	110.2	K832 V1087 L1089 T1112 L1115 L1120	K832-V1118 HydrophobicContact CB-CB 4.09Å; K832-V1118 PolarHBondContact N-O 2.87Å; V1087-V1118 WeakPolarHBondContact O-CA 3.49Å; L1089-V1118 HydrophobicContact CD2-CG1 3.51Å; T1112-V1118 HydrophobicContact CG2-CG1 3.99Å; L1115-V1118 HydrophobicContact CB-CG2 3.47Å; L1115-V1118 VanDerWaalsContact CB-CG2 3.47Å; L1115-V1118 HydrophobicContact CD1-CG2 3.95Å; L1115-V1118 HydrophobicContact CG-CG2 4.38Å; V1118-L1120 HydrophobicContact CG1-CD2 3.9Å; V1118-L1120 HydrophobicContact CG1-CG 4.26Å
1119	M	95.4	Very high	88.1	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	108.1	167	-174.2	171.2	67.7	0	0	109.1	V830 T831 L864 L1086 V1087 L1088 L1089 V1121	V830-M1119 WeakPolarHBondContact O-CA 3.26Å; T831-M1119 HydrophobicContact CG2-CG 4.27Å; L864-M1119 HydrophobicContact CB-CE 4.15Å; L864-M1119 HydrophobicContact CD1-CE 4.07Å; L1086-M1119 HydrophobicContact CD1-CB 4.31Å; V1087-M1119 PolarHBondContact O-N 2.87Å; L1088-M1119 WeakPolarHBondContact CA-O 3.43Å; L1088-M1119 HydrophobicContact CD2-CE 3.45Å; L1088-M1119 VanDerWaalsContact CD2-CE 3.45Å; L1088-M1119 HydrophobicContact CG-CE 3.86Å; L1089-M1119 PolarHBondContact N-O 2.97Å; M1119-V1121 HydrophobicContact CE-CG2 4.42Å; M1119-V1121 HydrophobicContact CG-CG2 4.45Å
1120	L	95.1	Very high	87.4	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.8	173.6	-60.6	179	0	0	0	109.3	W798 L829 V830 L1089 M1091 L1108 T1112 V1118	W798-L1120 HydrophobicContact CZ3-CD1 4.42Å; L829-L1120 WeakPolarHBondContact CA-O 3.36Å; V830-L1120 HydrophobicContact CB-CB 4.25Å; V830-L1120 PolarHBondContact N-O 3.19Å; V830-L1120 PolarHBondContact O-N 2.88Å; L1089-L1120 HydrophobicContact CD1-CD2 3.95Å; L1089-L1120 HydrophobicContact CD2-CD2 3.72Å; L1089-L1120 HydrophobicContact CG-CD2 3.57Å; L1089-L1120 WeakPolarHBondContact O-CA 3.17Å; M1091-L1120 HydrophobicContact CB-CB 4.42Å; M1091-L1120 HydrophobicContact CE-CB 3.85Å; M1091-L1120 HydrophobicContact CE-CD1 3.53Å; M1091-L1120 HydrophobicContact CE-CG 4.34Å; L1108-L1120 HydrophobicContact CD2-CD1 4.48Å; T1112-L1120 HydrophobicContact CG2-CD2 3.88Å; V1118-L1120 HydrophobicContact CG1-CD2 3.9Å; V1118-L1120 HydrophobicContact CG1-CG 4.26Å
1121	V	94.1	Very high	86.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.2	-173.1	-179.9	0	0	0	0	110.2	L829 M860 L861 L864 L1088 L1089 N1090 M1091 M1119	L829-V1121 HydrophobicContact CD2-CB 4.38Å; L829-V1121 HydrophobicContact CD2-CG1 4.13Å; L829-V1121 HydrophobicContact CD2-CG2 3.98Å; M860-V1121 HydrophobicContact CE-CG1 3.73Å; M860-V1121 HydrophobicContact CG-CG1 3.96Å; M860-V1121 HydrophobicContact SD-CG1 4.07Å; L861-V1121 HydrophobicContact CD2-CB 3.92Å; L861-V1121 HydrophobicContact CD2-CG1 4.23Å; L861-V1121 HydrophobicContact CD2-CG2 4.09Å; L864-V1121 HydrophobicContact CD1-CG1 4.04Å; L864-V1121 HydrophobicContact CD1-CG2 3.93Å; L1088-V1121 HydrophobicContact CD2-CG2 4.33Å; L1089-V1121 PolarHBondContact O-N 3.26Å; N1090-V1121 CarbonylContact C-O 3.24Å; N1090-V1121 WeakPolarHBondContact CA-O 3.39Å; M1091-V1121 PolarHBondContact N-O 2.89Å; M1119-V1121 HydrophobicContact CE-CG2 4.42Å; M1119-V1121 HydrophobicContact CG-CG2 4.45Å
1122	R	91.4	Very high	85.9	Confident	29 Å²	29	33.1 Å²	33.1	11%	0.109	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	131.4	174.2	-175.5	-171.7	-176.7	71.3	9.9	110.7	T822 A827 L828 M860 M1091 P1092	T822-R1122 PolarHBondContact OG1-NE 2.79Å; A827-R1122 CarbonylContact C-O 3.54Å; A827-R1122 VanDerWaalsContact CA-O 3.28Å; A827-R1122 WeakPolarHBondContact CA-O 3.25Å; L828-R1122 HydrophobicContact CB-CB 4.25Å; L828-R1122 PolarHBondContact N-O 3.15Å; L828-R1122 PolarHBondContact O-N 2.97Å; M860-R1122 WeakPolarHBondContact CE-O 3.42Å; M1091-R1122 HydrophobicContact CB-CB 4.43Å; M1091-R1122 PolarHBondContact O-NH1 3.49Å; M1091-R1122 VanDerWaalsContact O-NH1 3.11Å; P1092-R1122 PolarHBondContact O-NH1 2.95Å; P1092-R1122 VanDerWaalsContact O-NH1 3.1Å
1123	G	87.9	Confident	84.4	Confident	10 Å²	10	37.8 Å²	37.8	10%	0.103	20%	0.197	C	C	.	.			trans	-78.9	152.8	172.9	0	0	0	0	0	113.9	D857 G1125	D857-G1123 VanDerWaalsContact CG-N 3.32Å; D857-G1123 PolarHBondContact OD2-N 2.81Å; G1123-G1125 VanDerWaalsContact C-N 3.3Å
1124	G	82.9	Confident	84.1	Confident	9 Å²	9	35.5 Å²	35.5	9%	0.093	19%	0.188	C	C	.	.			trans	-81.1	-7.9	166.6	0	0	0	0	0	113.7	H825 E1127	H825-G1124 PolarHBondContact ND1-O 2.98Å; G1124-E1127 PolarHBondContact N-OE1 2.56Å; G1124-E1127 PolarHBondContact N-OE2 2.73Å
1125	G	77.8	Confident	84	Confident	33 Å²	33	29.9 Å²	29.9	34%	0.34	16%	0.163	S	C	.	.	S	Bend	trans	93.2	14.1	174.6	0	0	0	0	0	114.7	G1123 E1127	G1123-G1125 VanDerWaalsContact C-N 3.3Å; G1125-E1127 PolarHBondContact N-OE2 2.73Å
1126	R	75.6	Confident	83.6	Confident	143 Å²	143	31.2 Å²	31.2	54%	0.54	17%	0.17	S	C	.	.			trans	-128.4	5.3	-175.5	-57.3	-175.4	-175.8	-163.2	1	113.2	H825 V1128	H825-R1126 PolarHBondContact CD2-NH2 3.12Å; H825-R1126 PolarHBondContact NE2-NH2 2.99Å; R1126-V1128 PolarHBondContact O-N 3.18Å
1127	E	82.9	Confident	83.3	Confident	15 Å²	15	28.6 Å²	28.6	7%	0.07	16%	0.156	C	C	.	.			trans	-83.5	101.8	-172.6	-62.6	84.6	171.7	0	0	112.7	W693 R935 G1124 G1125	W693-E1127 HydrophobicContact CD2-CB 4.43Å; W693-E1127 HydrophobicContact CD2-CG 3.96Å; W693-E1127 HydrophobicContact CG-CB 4.19Å; W693-E1127 HydrophobicContact CG-CG 3.94Å; W693-E1127 HydrophobicContact CZ2-CG 4.3Å; R935-E1127 PolarHBondContact NH2-O 3.46Å; G1124-E1127 PolarHBondContact N-OE1 2.56Å; G1124-E1127 PolarHBondContact N-OE2 2.73Å; G1125-E1127 PolarHBondContact N-OE2 2.73Å
1128	V	80	Confident	82.7	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.024	16%	0.16	C	C	.	.			trans	-107.4	131.2	168.8	175.8	0	0	0	0	110	K691 W693 L939 M942 R1126 T1130	K691-V1128 CarbonylContact C-O 3.57Å; W693-V1128 WeakPolarHBondContact CB-O 3.19Å; W693-V1128 PolarHBondContact N-O 2.96Å; L939-V1128 HydrophobicContact CD2-CG2 3.74Å; M942-V1128 HydrophobicContact CE-CB 4.48Å; M942-V1128 HydrophobicContact CE-CG2 3.71Å; R1126-V1128 PolarHBondContact O-N 3.18Å; V1128-T1130 HydrophobicContact CG1-CG2 4.09Å
1129	I	82.9	Confident	81.9	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-133.8	102.5	-175.8	-58.2	159.6	0	0	0	107.7	W693 G859 L863 Y1132	W693-I1129 HydrophobicContact CB-CG1 3.93Å; W693-I1129 HydrophobicContact CE3-CD1 4.12Å; G859-I1129 VanDerWaalsContact C-CD1 3.48Å; G859-I1129 WeakPolarHBondContact O-CD1 3.49Å; L863-I1129 HydrophobicContact CB-CD1 4.11Å; L863-I1129 HydrophobicContact CD2-CD1 3.74Å; L863-I1129 HydrophobicContact CD2-CG1 4.28Å; L863-I1129 HydrophobicContact CD2-CG2 4.4Å; I1129-Y1132 HydrophobicContact CB-CE2 4.4Å; I1129-Y1132 HydrophobicContact CG2-CD1 4.15Å; I1129-Y1132 HydrophobicContact CG2-CD2 4.02Å; I1129-Y1132 HydrophobicContact CG2-CE1 3.79Å; I1129-Y1132 HydrophobicContact CG2-CE2 3.64Å; I1129-Y1132 HydrophobicContact CG2-CG 4.25Å
1130	T	75.3	Confident	80.9	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.031	18%	0.181	C	C	.	.	S	Bend	trans	-101.2	-17.7	179.2	56.4	0	0	0	0	113.1	K691 N692 L944 E948 V1128	K691-T1130 PolarHBondContact O-OG1 3.05Å; N692-T1130 PolarHBondContact ND2-OG1 2.96Å; N692-T1130 VanDerWaalsContact ND2-OG1 3.16Å; N692-T1130 PolarHBondContact OD1-N 3.49Å; N692-T1130 PolarHBondContact OD1-OG1 3.2Å; L944-T1130 HydrophobicContact CD2-CG2 4.45Å; E948-T1130 HydrophobicContact CB-CG2 4.35Å; V1128-T1130 HydrophobicContact CG1-CG2 4.09Å
1131	I	74.3	Confident	79.9	Confident	83 Å²	83	34.8 Å²	34.8	43%	0.426	19%	0.194	S	C	.	.			trans	-132.7	118.3	179.3	-52.8	178.9	0	0	0	110.4	N692 R694	N692-I1131 WeakPolarHBondContact OD1-CB 3.49Å; N692-I1131 PolarHBondContact OD1-N 3.32Å; R694-I1131 PolarHBondContact NH1-O 3.15Å; R694-I1131 PolarHBondContact NH2-O 3.32Å
1132	Y	72.9	Confident	78.7	Confident	19 Å²	19	37.8 Å²	37.8	8%	0.075	21%	0.21	C	C	.	.			trans	-99.3	112.1	176	-63.2	-106.8	0	0	0	108.4	M862 L863 L905 I907 I1129	M862-Y1132 HydrophobicContact CB-CE1 4.17Å; L863-Y1132 HydrophobicContact CB-CD1 4.29Å; L863-Y1132 HydrophobicContact CB-CE1 4.14Å; L863-Y1132 HydrophobicContact CD1-CD1 4.06Å; L905-Y1132 HydrophobicContact CD1-CD2 3.43Å; L905-Y1132 VanDerWaalsContact CD1-CD2 3.43Å; L905-Y1132 HydrophobicContact CD1-CE2 3.51Å; L905-Y1132 HydrophobicContact CD1-CG 4.1Å; L905-Y1132 HydrophobicContact CD2-CD2 3.82Å; L905-Y1132 HydrophobicContact CD2-CE2 4.36Å; L905-Y1132 HydrophobicContact CG-CD2 4.23Å; I907-Y1132 HydrophobicContact CD1-CD1 3.94Å; I907-Y1132 HydrophobicContact CD1-CG 3.97Å; I1129-Y1132 HydrophobicContact CB-CE2 4.4Å; I1129-Y1132 HydrophobicContact CG2-CD1 4.15Å; I1129-Y1132 HydrophobicContact CG2-CD2 4.02Å; I1129-Y1132 HydrophobicContact CG2-CE1 3.79Å; I1129-Y1132 HydrophobicContact CG2-CE2 3.64Å; I1129-Y1132 HydrophobicContact CG2-CG 4.25Å
1133	S	60	Low	77.5	Confident	99 Å²	99	38.5 Å²	38.5	69%	0.692	22%	0.219	S	C	*	.			trans	-167.7	0	-173	56.1	0	0	0	0	113.1	R694	R694-S1133 PolarHBondContact NE-O 2.99Å; R694-S1133 VanDerWaalsContact NH2-N 3.1Å; R694-S1133 PolarHBondContact NH2-O 2.93Å; R694-S1133 PolarHBondContact NH2-OG 3.3Å

Retrieved 1,133 of 1,133 residues in 1284.1 ms (Link to these results)

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