A0A2K6AXZ7_MACNE Loading...

Exostosin-2

Glycosyltransferase forming with EXT1 the heterodimeric heparan sulfate polymerase which catalyzes the elongation of the heparan sulfate glycan backbone. Glycan backbone extension consists in the alternating transfer of (1->4)-beta-D-GlcA and (1->4)-alpha-D-GlcNAc residues from their respective UDP-sugar donors. Both EXT1 and EXT2 are required for the full activity of the polymerase since EXT1 bears the N-acetylglucosaminyl-proteoglycan 4-beta-glucuronosyltransferase activity within the complex while EXT2 carries the glucuronosyl-N-acetylglucosaminyl-proteoglycan 4-alpha-N-acetylglucosaminyltransferase activity. Heparan sulfate proteoglycans are ubiquitous components of the extracellular matrix and play an important role in tissue homeostasis and signaling.

AlphaFold DB , UniProt , Accession A0A2K6AXZ7, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene EXT2, Length 751 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	31.3	Very low	232 Å²	232	116.4 Å²	116.4	100%	1.143	84%	0.843	S	S	*	*				0	80	0	-68.3	174.2	173.7	0	0	105.9
2	S	28.5	Very low	30.9	Very low	112 Å²	112	125.3 Å²	125.3	78%	0.783	84%	0.843	S	S	*	*			cis	77.4	127.8	46.9	-45	0	0	0	0	110.4
3	C	27.1	Very low	30.6	Very low	116 Å²	116	129.7 Å²	129.7	78%	0.784	84%	0.843	S	S	*	*			cis	-152.2	146.4	7.7	-99.8	0	0	0	0	109
4	A	32.6	Very low	31.6	Very low	89 Å²	89	127.9 Å²	127.9	74%	0.736	83%	0.831	S	S	*	*				60.1	143.2	87.7	0	0	0	0	0	114.7
5	S	30.7	Very low	31.2	Very low	119 Å²	119	129.3 Å²	129.3	83%	0.832	83%	0.828	S	S	*	*			cis	-180	156.1	-2	43.5	0	0	0	0	111.7
6	G	28.5	Very low	30.8	Very low	71 Å²	71	135.2 Å²	135.2	73%	0.732	83%	0.829	S	S	*	*				113.3	155.1	128.6	0	0	0	0	0	121
7	P	53	Low	30.4	Very low	138 Å²	138	133.5 Å²	133.5	90%	0.896	82%	0.823	S	S	*	*			trans	-142.7	-172.4	-146.5	42.1	-20.7	0	0	0	118.9
8	G	28.4	Very low	30	Very low	87 Å²	87	138.9 Å²	138.9	90%	0.897	83%	0.825	S	S	*	*			trans	97.9	156.5	166.7	0	0	0	0	0	115.2
9	G	27.4	Very low	29.9	Very low	87 Å²	87	140.7 Å²	140.7	90%	0.897	83%	0.825	S	S	*	*			cis	151.8	152.9	0.1	0	0	0	0	0	109.4
10	G	26.7	Very low	30.8	Very low	74 Å²	74	138.3 Å²	138.3	76%	0.763	81%	0.813	S	S	*	*			cis	167.7	171.7	-4.4	0	0	0	0	0	112.3
11	L	28.2	Very low	30.7	Very low	155 Å²	155	141.3 Å²	141.3	81%	0.812	81%	0.811	S	S	*	*			trans	75.3	133.4	162.4	-75.8	163.6	0	0	0	123.9
12	R	27.4	Very low	30.3	Very low	224 Å²	224	137.3 Å²	137.3	85%	0.845	79%	0.794	S	S	*	*			trans	96.2	115.9	140.2	-74.2	167.2	-165.2	-129.4	3.9	124.1
13	H	27.1	Very low	30.4	Very low	182 Å²	182	139.5 Å²	139.5	84%	0.843	79%	0.792	S	S	*	*			trans	-46.7	175.8	144.5	-83.8	-56.8	0	0	0	114.8
14	P	43.7	Very low	30.5	Very low	104 Å²	104	142.4 Å²	142.4	68%	0.675	79%	0.794	S	S	*	*			cis	-154.2	-168	32.9	40.6	-15.8	0	0	0	119.7
15	L	25.9	Very low	30.1	Very low	150 Å²	150	143.1 Å²	143.1	79%	0.785	79%	0.793	S	S	*	*			trans	79.6	128.1	160.5	-57.6	165.4	0	0	0	117.9
16	R	24.5	Very low	29.9	Very low	223 Å²	223	144.3 Å²	144.3	84%	0.842	79%	0.785	S	S	*	*			cis	101.2	119	18.4	-167.7	-167.9	-142.4	-165.4	8.6	114.2
17	C	24.1	Very low	29.8	Very low	107 Å²	107	149 Å²	149	72%	0.723	79%	0.785	S	S	*	*			trans	151.9	111.8	147.6	-84.8	0	0	0	0	109.3
18	R	23.9	Very low	28.9	Very low	230 Å²	230	151.6 Å²	151.6	87%	0.868	79%	0.785	S	S	*	*				70.9	103.1	94.2	-78.7	-171.7	176	-178.2	-2	114.2
19	E	27.7	Very low	28.8	Very low	174 Å²	174	152.5 Å²	152.5	81%	0.813	79%	0.785	S	S	*	*				34.9	149.7	99.8	-122	170.6	-117.9	0	0	117.2
20	P	46.9	Very low	28.8	Very low	91 Å²	91	155 Å²	155	59%	0.591	78%	0.782	S	S	*	*			cis	-161.9	-164.7	27.9	50.5	-30.2	0	0	0	120.1
21	W	29.4	Very low	28.7	Very low	202 Å²	202	157.4 Å²	157.4	77%	0.765	79%	0.786	S	S	*	*			trans	47.9	144.4	150.1	-53.1	115.1	0	0	0	119.6
22	D	25.6	Very low	28.7	Very low	148 Å²	148	156.2 Å²	156.2	79%	0.791	79%	0.785	S	S	*	*			cis	-161.5	171.8	47.2	-100.8	-50.2	0	0	0	114.1
23	E	30	Very low	28.8	Very low	159 Å²	159	152.9 Å²	152.9	74%	0.743	78%	0.782	S	S	*	*			trans	-93	164.7	-177.6	-58.7	173.9	110.8	0	0	114.1
24	E	27.8	Very low	28.8	Very low	176 Å²	176	153 Å²	153	82%	0.822	79%	0.785	S	S	*	*				166	138.5	113.9	-92	-163.1	124.8	0	0	115.2
25	C	24.4	Very low	28.1	Very low	105 Å²	105	154.6 Å²	154.6	71%	0.709	80%	0.797	S	S	*	*			trans	24.3	147.1	131	-71.6	0	0	0	0	122
26	E	26.9	Very low	28.2	Very low	144 Å²	144	151.8 Å²	151.8	67%	0.673	80%	0.796	S	S	*	*			cis	-177	173.7	-7.3	-159.8	-163.4	154.2	0	0	108.9
27	K	27.8	Very low	28.3	Very low	169 Å²	169	146.3 Å²	146.3	74%	0.735	79%	0.791	S	S	*	*			trans	88	139.5	156.3	-64.8	-173.6	167	77.3	0	121.3
28	E	32.5	Very low	28.6	Very low	192 Å²	192	148.2 Å²	148.2	90%	0.897	80%	0.799	S	S	*	*			trans	-95.8	161.4	-172.9	-50.3	169.6	114	0	0	113.2
29	A	26	Very low	29	Very low	107 Å²	107	145.6 Å²	145.6	88%	0.884	80%	0.795	S	S	*	*			trans	-160.8	138.4	140.4	0	0	0	0	0	111.5
30	V	28.2	Very low	29	Very low	139 Å²	139	148.9 Å²	148.9	84%	0.842	80%	0.801	S	S	*	*			trans	-108.1	135.7	179.4	170.7	0	0	0	0	110.4
31	C	24.5	Very low	28.4	Very low	124 Å²	124	151.5 Å²	151.5	84%	0.838	81%	0.81	S	S	*	*			trans	-160	163.7	139.7	-142.6	0	0	0	0	114.6
32	V	28.5	Very low	28.5	Very low	131 Å²	131	148.3 Å²	148.3	79%	0.794	81%	0.807	S	S	*	*			trans	-86.7	150.3	-160	175.1	0	0	0	0	114.1
33	I	28.5	Very low	28.8	Very low	153 Å²	153	152.7 Å²	152.7	79%	0.785	81%	0.812	S	S	*	*			trans	-97.9	136	174.6	-65.6	170.1	0	0	0	111.6
34	M	27.8	Very low	29	Very low	185 Å²	185	148.7 Å²	148.7	91%	0.911	81%	0.814	S	S	*	*			trans	-115.6	134.2	152.6	-94.9	-163.8	174	0	0	109.3
35	C	28.9	Very low	29.7	Very low	137 Å²	137	147 Å²	147	93%	0.926	82%	0.817	S	S	*	*			trans	-162.6	155.9	151.5	-107.8	0	0	0	0	112.7
36	A	27.7	Very low	30.3	Very low	92 Å²	92	146.3 Å²	146.3	76%	0.76	82%	0.819	S	S	*	*			trans	-106.7	139.8	-165.3	0	0	0	0	0	114.2
37	S	27.8	Very low	30.9	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	83%	0.829	S	S	*	*				49.1	109.4	117.9	-167.5	0	0	0	0	121
38	V	29.3	Very low	31.8	Very low	147 Å²	147	146.7 Å²	146.7	89%	0.891	83%	0.832	S	S	*	*			trans	-138.9	140.9	139	179.8	0	0	0	0	108.9
39	K	32.8	Very low	32.5	Very low	176 Å²	176	143.4 Å²	143.4	77%	0.765	83%	0.827	S	S	*	*			trans	-108.4	146.9	177.5	-70.8	174.8	174.6	174	0	111.1
40	Y	28.7	Very low	33.6	Very low	243 Å²	243	150 Å²	150	95%	0.953	83%	0.829	S	S	*	*				-169	175.1	119.1	-109.1	-77.1	0	0	0	110.1
41	N	32.6	Very low	35	Very low	146 Å²	146	149 Å²	149	78%	0.781	82%	0.816	S	S	*	*			trans	-124.9	169.6	-147.9	-161.9	-0.5	0	0	0	113.8
42	I	33	Very low	36.8	Very low	135 Å²	135	151.2 Å²	151.2	69%	0.692	81%	0.812	S	S	*	*			trans	110.4	103.1	160.2	-57.5	171	0	0	0	118.6
43	R	32.1	Very low	38.3	Very low	240 Å²	240	150.1 Å²	150.1	91%	0.906	81%	0.806	S	S	*	*			trans	54.3	111.2	139.7	-61.3	175.6	178.8	167.4	-1.9	122.9
44	G	33.5	Very low	39.8	Very low	75 Å²	75	151.5 Å²	151.5	77%	0.773	81%	0.806	S	S	*	*				96.2	112.7	111	0	0	0	0	0	120
45	P	42.3	Very low	41.5	Very low	139 Å²	139	147.8 Å²	147.8	90%	0.903	79%	0.786	S	S	*	*			trans	-91.2	167.5	177.5	36.7	-35	0	0	0	114.7
46	A	36.2	Very low	43.3	Very low	91 Å²	91	148.9 Å²	148.9	75%	0.752	77%	0.771	S	S	*	*			trans	-96.5	138.4	-163.7	0	0	0	0	0	116.7
47	L	39.8	Very low	45.5	Very low	168 Å²	168	149.7 Å²	149.7	88%	0.88	76%	0.761	S	S	*	*			trans	48.2	98.4	138.2	-69.3	161.1	0	0	0	120.6
48	I	47.5	Very low	48	Very low	153 Å²	153	151.1 Å²	151.1	79%	0.785	75%	0.751	S	S	*	*			trans	-83.5	144.3	156.6	-62.5	168.4	0	0	0	109.6	R50	I48-R50 PolarHBondContact O-N 2.84Å
49	P	47.6	Very low	50.4	Low	123 Å²	123	150.5 Å²	150.5	80%	0.799	73%	0.734	S	S	*	*			trans	-60.8	123.4	179.9	-23.2	34	0	0	0	113.5	M51	P49-M51 PolarHBondContact O-N 2.93Å
50	R	48.8	Very low	52.7	Low	246 Å²	246	146.4 Å²	146.4	93%	0.928	72%	0.719	S	S	*	*			trans	-71.8	106.4	176.8	-84.6	-179.2	166	175.4	-4.1	111.5	I48 K52	I48-R50 PolarHBondContact O-N 2.84Å; R50-K52 PolarHBondContact O-N 3.49Å
51	M	56.6	Low	55.3	Low	117 Å²	117	138.1 Å²	138.1	58%	0.576	69%	0.694	S	S	*	*			trans	-54.3	132.3	158.6	-81.9	173.7	58.5	0	0	110.4	P49 T53 H55 Y59	P49-M51 PolarHBondContact O-N 2.93Å; M51-T53 PolarHBondContact O-N 2.88Å; M51-H55 HydrophobicContact CE-CB 4.4Å; M51-Y59 HydrophobicContact CE-CD2 3.88Å; M51-Y59 HydrophobicContact CE-CE2 4.31Å
52	K	63.1	Low	57.9	Low	171 Å²	171	134.7 Å²	134.7	74%	0.743	68%	0.676	S	S	*	*			trans	-57.6	130.6	178.6	-67.6	179.2	179.6	176.1	0	110.2	R50 K54 H55 R56	R50-K52 PolarHBondContact O-N 3.49Å; K52-K54 VanDerWaalsContact C-N 3.26Å; K52-K54 PolarHBondContact O-N 2.79Å; K52-H55 PolarHBondContact O-N 2.93Å; K52-R56 PolarHBondContact O-N 3.42Å
53	T	61	Low	60.5	Low	109 Å²	109	134.9 Å²	134.9	67%	0.669	67%	0.672	S	S	*	*	H	α-helix	trans	-50.6	-37.3	-168.4	10.9	0	0	0	0	114.9	M51 H55 R56 I57	M51-T53 PolarHBondContact O-N 2.88Å; T53-H55 VanDerWaalsContact C-N 3.32Å; T53-H55 PolarHBondContact O-N 2.99Å; T53-R56 PolarHBondContact O-N 2.88Å; T53-I57 WeakPolarHBondContact O-CG1 3.28Å; T53-I57 PolarHBondContact O-N 3.35Å
54	K	59.6	Low	63.1	Low	181 Å²	181	126 Å²	126	79%	0.787	65%	0.647	S	S	*	*	H	α-helix	trans	-59.1	-37.8	176.2	-71.4	-168.6	173.8	-172.9	0	113.5	K52 Y58	K52-K54 VanDerWaalsContact C-N 3.26Å; K52-K54 PolarHBondContact O-N 2.79Å; K54-Y58 PolarHBondContact O-N 2.86Å; K54-Y58 VanDerWaalsContact O-N 3.15Å
55	H	63.7	Low	65.8	Low	107 Å²	107	128 Å²	128	50%	0.495	64%	0.638	S	S	.	*	H	α-helix	trans	-76.4	-36.2	178.8	-63.7	79.9	0	0	0	111.4	M51 K52 T53 I57 Y58 Y59	M51-H55 HydrophobicContact CE-CB 4.4Å; K52-H55 PolarHBondContact O-N 2.93Å; T53-H55 VanDerWaalsContact C-N 3.32Å; T53-H55 PolarHBondContact O-N 2.99Å; H55-I57 VanDerWaalsContact C-N 3.33Å; H55-I57 PolarHBondContact O-N 2.99Å; H55-Y58 PolarHBondContact O-N 3.05Å; H55-Y59 HydrophobicContact CB-CD2 4.49Å; H55-Y59 HydrophobicContact CB-CE2 4.47Å; H55-Y59 WeakPolarHBondContact O-CD2 3.43Å; H55-Y59 PolarHBondContact O-N 3.02Å
56	R	66.1	Low	67.9	Low	160 Å²	160	125 Å²	125	60%	0.604	62%	0.617	S	S	*	*	H	α-helix	trans	-61.3	-42.5	174.6	-175.6	177.5	176.7	-164.7	-1.3	111.5	K52 T53 I60	K52-R56 PolarHBondContact O-N 3.42Å; T53-R56 PolarHBondContact O-N 2.88Å; R56-I60 HydrophobicContact CG-CD1 3.81Å; R56-I60 WeakPolarHBondContact O-CB 3.15Å; R56-I60 WeakPolarHBondContact O-CD1 3.49Å; R56-I60 WeakPolarHBondContact O-CG1 3.41Å; R56-I60 PolarHBondContact O-N 2.64Å; R56-I60 VanDerWaalsContact O-N 3.07Å
57	I	74.1	Confident	70.4	Confident	109 Å²	109	124.6 Å²	124.6	56%	0.559	60%	0.602	S	S	*	*	H	α-helix	trans	-63.2	-47.9	174.9	-66	166	0	0	0	110.1	T53 H55 Y59 I60 T61	T53-I57 WeakPolarHBondContact O-CG1 3.28Å; T53-I57 PolarHBondContact O-N 3.35Å; H55-I57 VanDerWaalsContact C-N 3.33Å; H55-I57 PolarHBondContact O-N 2.99Å; I57-Y59 PolarHBondContact O-N 2.67Å; I57-I60 PolarHBondContact O-N 2.71Å; I57-T61 PolarHBondContact O-N 2.68Å; I57-T61 PolarHBondContact O-OG1 3.3Å
58	Y	79.4	Confident	72.7	Confident	137 Å²	137	122.1 Å²	122.1	54%	0.537	59%	0.589	S	S	.	*	H	α-helix	trans	-56.8	-47.8	178.7	180	-96.3	0	0	0	113.5	K54 H55 T61 L62	K54-Y58 PolarHBondContact O-N 2.86Å; K54-Y58 VanDerWaalsContact O-N 3.15Å; H55-Y58 PolarHBondContact O-N 3.05Å; Y58-T61 PolarHBondContact O-N 3.15Å; Y58-T61 PolarHBondContact O-OG1 3.13Å; Y58-L62 HydrophobicContact CE1-CD2 4.2Å; Y58-L62 VanDerWaalsContact O-CB 3.22Å; Y58-L62 WeakPolarHBondContact O-CB 3.47Å; Y58-L62 PolarHBondContact O-N 2.87Å
59	Y	79.4	Confident	74.5	Confident	135 Å²	135	116.5 Å²	116.5	53%	0.529	57%	0.568	S	S	.	*	H	α-helix	trans	-69.9	-32.3	178.5	-74.7	-66.4	0	0	0	112.9	M51 H55 I57 L62 F63	M51-Y59 HydrophobicContact CE-CD2 3.88Å; M51-Y59 HydrophobicContact CE-CE2 4.31Å; H55-Y59 HydrophobicContact CB-CD2 4.49Å; H55-Y59 HydrophobicContact CB-CE2 4.47Å; H55-Y59 WeakPolarHBondContact O-CD2 3.43Å; H55-Y59 PolarHBondContact O-N 3.02Å; I57-Y59 PolarHBondContact O-N 2.67Å; Y59-L62 HydrophobicContact CD1-CD2 4.49Å; Y59-F63 WeakPolarHBondContact O-CB 3.39Å; Y59-F63 PolarHBondContact O-N 2.96Å
60	I	82.3	Confident	76.3	Confident	89 Å²	89	116 Å²	116	46%	0.456	56%	0.559	S	S	.	*	H	α-helix	trans	-67.8	-47	173.5	-70.1	169.1	0	0	0	110.5	R56 I57 F63 S64	R56-I60 HydrophobicContact CG-CD1 3.81Å; R56-I60 WeakPolarHBondContact O-CB 3.15Å; R56-I60 WeakPolarHBondContact O-CD1 3.49Å; R56-I60 WeakPolarHBondContact O-CG1 3.41Å; R56-I60 PolarHBondContact O-N 2.64Å; R56-I60 VanDerWaalsContact O-N 3.07Å; I57-I60 PolarHBondContact O-N 2.71Å; I60-F63 PolarHBondContact O-N 2.8Å; I60-S64 WeakPolarHBondContact O-CB 3.32Å; I60-S64 PolarHBondContact O-N 2.82Å; I60-S64 PolarHBondContact O-OG 2.88Å; I60-S64 VanDerWaalsContact O-OG 3.13Å
61	T	83.4	Confident	78	Confident	70 Å²	70	108.4 Å²	108.4	43%	0.429	54%	0.536	S	S	.	.	H	α-helix	trans	-66	-40	177.1	43.3	0	0	0	0	112.1	I57 Y58 S64 I65	I57-T61 PolarHBondContact O-N 2.68Å; I57-T61 PolarHBondContact O-OG1 3.3Å; Y58-T61 PolarHBondContact O-N 3.15Å; Y58-T61 PolarHBondContact O-OG1 3.13Å; T61-S64 PolarHBondContact O-N 3.44Å; T61-I65 WeakPolarHBondContact O-CB 3.05Å; T61-I65 WeakPolarHBondContact O-CD1 3.44Å; T61-I65 WeakPolarHBondContact O-CG1 3.34Å; T61-I65 PolarHBondContact O-N 2.97Å
62	L	86.2	Confident	79.1	Confident	74 Å²	74	105.2 Å²	105.2	39%	0.387	53%	0.528	S	S	.	.	H	α-helix	trans	-60.6	-46.2	174.3	-175.1	67.8	0	0	0	111.3	Y58 Y59 I65 V66	Y58-L62 HydrophobicContact CE1-CD2 4.2Å; Y58-L62 VanDerWaalsContact O-CB 3.22Å; Y58-L62 WeakPolarHBondContact O-CB 3.47Å; Y58-L62 PolarHBondContact O-N 2.87Å; Y59-L62 HydrophobicContact CD1-CD2 4.49Å; L62-I65 PolarHBondContact O-N 3.13Å; L62-V66 WeakPolarHBondContact O-CG2 3.45Å; L62-V66 PolarHBondContact O-N 3.31Å
63	F	86.9	Confident	79.9	Confident	139 Å²	139	100.7 Å²	100.7	61%	0.61	52%	0.515	S	S	*	.	H	α-helix	trans	-64.5	-41.8	176.9	-172.9	-96.2	0	0	0	112	Y59 I60 I65 V66 L67	Y59-F63 WeakPolarHBondContact O-CB 3.39Å; Y59-F63 PolarHBondContact O-N 2.96Å; I60-F63 PolarHBondContact O-N 2.8Å; F63-I65 PolarHBondContact O-N 2.98Å; F63-V66 PolarHBondContact O-N 3.38Å; F63-L67 HydrophobicContact CE1-CD2 4.27Å; F63-L67 WeakPolarHBondContact O-CB 3.36Å; F63-L67 PolarHBondContact O-N 3.3Å
64	S	87.6	Confident	80.5	Confident	54 Å²	54	96.8 Å²	96.8	38%	0.378	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-38	174.6	-67	0	0	0	0	112.8	I60 T61 L68	I60-S64 WeakPolarHBondContact O-CB 3.32Å; I60-S64 PolarHBondContact O-N 2.82Å; I60-S64 PolarHBondContact O-OG 2.88Å; I60-S64 VanDerWaalsContact O-OG 3.13Å; T61-S64 PolarHBondContact O-N 3.44Å; S64-L68 VanDerWaalsContact O-CB 3.27Å; S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 VanDerWaalsContact O-CG 3.3Å; S64-L68 WeakPolarHBondContact O-CG 3.47Å; S64-L68 PolarHBondContact O-N 3.32Å
65	I	89.9	Confident	81.2	Confident	116 Å²	116	93 Å²	93	60%	0.595	48%	0.482	S	S	*	.	H	α-helix	trans	-68.4	-43.7	175.9	-70.1	163.2	0	0	0	110.7	T61 L62 F63 L68 G69	T61-I65 WeakPolarHBondContact O-CB 3.05Å; T61-I65 WeakPolarHBondContact O-CD1 3.44Å; T61-I65 WeakPolarHBondContact O-CG1 3.34Å; T61-I65 PolarHBondContact O-N 2.97Å; L62-I65 PolarHBondContact O-N 3.13Å; F63-I65 PolarHBondContact O-N 2.98Å; I65-L68 PolarHBondContact O-N 3.03Å; I65-G69 PolarHBondContact O-N 3.32Å
66	V	87.3	Confident	81.5	Confident	77 Å²	77	94.8 Å²	94.8	47%	0.467	49%	0.489	S	S	.	.	H	α-helix	trans	-65.2	-41.1	176.3	171.3	0	0	0	0	111.2	L62 F63 G69 L70	L62-V66 WeakPolarHBondContact O-CG2 3.45Å; L62-V66 PolarHBondContact O-N 3.31Å; F63-V66 PolarHBondContact O-N 3.38Å; V66-G69 PolarHBondContact O-N 3.4Å; V66-L70 HydrophobicContact CG1-CD1 4.11Å; V66-L70 WeakPolarHBondContact O-CB 3.46Å; V66-L70 WeakPolarHBondContact O-CG 3.22Å; V66-L70 PolarHBondContact O-N 2.76Å
67	L	87.8	Confident	81.5	Confident	81 Å²	81	95 Å²	95	42%	0.424	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-43.7	177.2	-174.4	66.9	0	0	0	111.7	F63 G69 L70 I71	F63-L67 HydrophobicContact CE1-CD2 4.27Å; F63-L67 WeakPolarHBondContact O-CB 3.36Å; F63-L67 PolarHBondContact O-N 3.3Å; L67-G69 VanDerWaalsContact C-N 3.31Å; L67-G69 PolarHBondContact O-N 3.31Å; L67-L70 PolarHBondContact O-N 2.96Å; L67-I71 HydrophobicContact CD1-CD1 4.37Å; L67-I71 HydrophobicContact CG-CD1 3.98Å; L67-I71 WeakPolarHBondContact O-CB 3.25Å; L67-I71 VanDerWaalsContact O-CG1 3.24Å; L67-I71 WeakPolarHBondContact O-CG1 3.41Å; L67-I71 PolarHBondContact O-N 2.88Å
68	L	87.4	Confident	80.6	Confident	117 Å²	117	98.3 Å²	98.3	61%	0.613	51%	0.507	S	S	*	.	H	α-helix	trans	-64.4	-36.3	172.9	-78.8	166.9	0	0	0	111.8	S64 I65 A72	S64-L68 VanDerWaalsContact O-CB 3.27Å; S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 VanDerWaalsContact O-CG 3.3Å; S64-L68 WeakPolarHBondContact O-CG 3.47Å; S64-L68 PolarHBondContact O-N 3.32Å; I65-L68 PolarHBondContact O-N 3.03Å; L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.42Å
69	G	86.4	Confident	79.3	Confident	34 Å²	34	98.1 Å²	98.1	35%	0.351	51%	0.505	S	S	.	.	H	α-helix	trans	-61.1	-49.3	172.3	0	0	0	0	0	111.9	I65 V66 L67 A72 T73	I65-G69 PolarHBondContact O-N 3.32Å; V66-G69 PolarHBondContact O-N 3.4Å; L67-G69 VanDerWaalsContact C-N 3.31Å; L67-G69 PolarHBondContact O-N 3.31Å; G69-A72 PolarHBondContact O-N 3.29Å; G69-T73 WeakPolarHBondContact O-CG2 3.44Å; G69-T73 PolarHBondContact O-N 2.68Å; G69-T73 PolarHBondContact O-OG1 2.72Å; G69-T73 VanDerWaalsContact O-OG1 3.11Å
70	L	85.6	Confident	77.6	Confident	113 Å²	113	95.3 Å²	95.3	59%	0.592	50%	0.504	S	S	*	.	H	α-helix	trans	-65	-38.1	177.3	-75.7	169.6	0	0	0	112.9	V66 L67 T73 G74	V66-L70 HydrophobicContact CG1-CD1 4.11Å; V66-L70 WeakPolarHBondContact O-CB 3.46Å; V66-L70 WeakPolarHBondContact O-CG 3.22Å; V66-L70 PolarHBondContact O-N 2.76Å; L67-L70 PolarHBondContact O-N 2.96Å; L70-T73 WeakPolarHBondContact CA-OG1 3.41Å; L70-T73 PolarHBondContact O-OG1 3.37Å; L70-G74 WeakPolarHBondContact O-CA 3.21Å; L70-G74 PolarHBondContact O-N 2.96Å
71	I	83.9	Confident	75.9	Confident	87 Å²	87	98.4 Å²	98.4	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-67.5	-40.4	172.9	-68.7	165.6	0	0	0	110.1	L67 M75	L67-I71 HydrophobicContact CD1-CD1 4.37Å; L67-I71 HydrophobicContact CG-CD1 3.98Å; L67-I71 WeakPolarHBondContact O-CB 3.25Å; L67-I71 VanDerWaalsContact O-CG1 3.24Å; L67-I71 WeakPolarHBondContact O-CG1 3.41Å; L67-I71 PolarHBondContact O-N 2.88Å; I71-M75 HydrophobicContact CG2-CG 4.33Å; I71-M75 VanDerWaalsContact O-CB 3.22Å; I71-M75 WeakPolarHBondContact O-CB 3.24Å; I71-M75 VanDerWaalsContact O-CG 3.25Å; I71-M75 WeakPolarHBondContact O-CG 3.42Å; I71-M75 PolarHBondContact O-N 3.14Å
72	A	81	Confident	73.9	Confident	50 Å²	50	99 Å²	99	41%	0.413	52%	0.523	S	S	.	.	H	α-helix	trans	-68.2	-42.2	177.5	0	0	0	0	0	112.2	L68 G69 M75 F76	L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.42Å; G69-A72 PolarHBondContact O-N 3.29Å; A72-M75 PolarHBondContact O-N 3.21Å; A72-F76 WeakPolarHBondContact O-CB 3.46Å; A72-F76 PolarHBondContact O-N 3.2Å
73	T	77.9	Confident	71.8	Confident	76 Å²	76	103 Å²	103	47%	0.466	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-39	174.8	54	0	0	0	0	111.7	G69 L70 F76 Q77	G69-T73 WeakPolarHBondContact O-CG2 3.44Å; G69-T73 PolarHBondContact O-N 2.68Å; G69-T73 PolarHBondContact O-OG1 2.72Å; G69-T73 VanDerWaalsContact O-OG1 3.11Å; L70-T73 WeakPolarHBondContact CA-OG1 3.41Å; L70-T73 PolarHBondContact O-OG1 3.37Å; T73-F76 PolarHBondContact O-N 3.34Å; T73-Q77 WeakPolarHBondContact O-CB 3.49Å; T73-Q77 PolarHBondContact O-N 2.95Å
74	G	75.6	Confident	69.5	Low	26 Å²	26	104.6 Å²	104.6	27%	0.268	55%	0.553	S	S	.	*	H	α-helix	trans	-61.1	-46.8	171.7	0	0	0	0	0	111	L70 F76 Q77 F78	L70-G74 WeakPolarHBondContact O-CA 3.21Å; L70-G74 PolarHBondContact O-N 2.96Å; G74-F76 VanDerWaalsContact C-N 3.34Å; G74-F76 PolarHBondContact O-N 2.93Å; G74-Q77 PolarHBondContact O-N 3.21Å; G74-F78 WeakPolarHBondContact O-CB 3.43Å; G74-F78 WeakPolarHBondContact O-CD2 3.21Å; G74-F78 PolarHBondContact O-N 3.06Å
75	M	73.3	Confident	66.9	Low	102 Å²	102	106.6 Å²	106.6	50%	0.502	57%	0.566	S	S	.	*	H	α-helix	trans	-64.5	-33.4	174.5	-75.5	-146.8	-52.2	0	0	112.6	I71 A72 F78 W79	I71-M75 HydrophobicContact CG2-CG 4.33Å; I71-M75 VanDerWaalsContact O-CB 3.22Å; I71-M75 WeakPolarHBondContact O-CB 3.24Å; I71-M75 VanDerWaalsContact O-CG 3.25Å; I71-M75 WeakPolarHBondContact O-CG 3.42Å; I71-M75 PolarHBondContact O-N 3.14Å; A72-M75 PolarHBondContact O-N 3.21Å; M75-F78 CarbonylContact O-C 3.54Å; M75-W79 HydrophobicContact CB-CE3 4.14Å; M75-W79 HydrophobicContact CB-CZ3 4.38Å; M75-W79 HydrophobicContact CE-CZ3 4.2Å; M75-W79 WeakPolarHBondContact O-CA 3.48Å; M75-W79 WeakPolarHBondContact O-CB 3.44Å; M75-W79 PolarHBondContact O-N 3.06Å; M75-W79 HydrophobicContact SD-CZ3 4.04Å
76	F	69.2	Low	64.2	Low	145 Å²	145	105.9 Å²	105.9	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-77.3	-39.9	176.9	-119.3	-86.9	0	0	0	113.1	A72 T73 G74 W79	A72-F76 WeakPolarHBondContact O-CB 3.46Å; A72-F76 PolarHBondContact O-N 3.2Å; T73-F76 PolarHBondContact O-N 3.34Å; G74-F76 VanDerWaalsContact C-N 3.34Å; G74-F76 PolarHBondContact O-N 2.93Å; F76-W79 PolarHBondContact O-N 3.05Å
77	Q	66.6	Low	61.7	Low	163 Å²	163	107.5 Å²	107.5	76%	0.762	58%	0.578	S	S	*	*	H	α-helix	trans	-80.4	-20.3	-177	-166.2	167.8	-4.4	0	0	112.4	T73 G74	T73-Q77 WeakPolarHBondContact O-CB 3.49Å; T73-Q77 PolarHBondContact O-N 2.95Å; G74-Q77 PolarHBondContact O-N 3.21Å
78	F	55.5	Low	59	Low	179 Å²	179	109.5 Å²	109.5	79%	0.785	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	16.4	166.1	-60.5	-82.6	0	0	0	112.4	G74 M75	G74-F78 WeakPolarHBondContact O-CB 3.43Å; G74-F78 WeakPolarHBondContact O-CD2 3.21Å; G74-F78 PolarHBondContact O-N 3.06Å; M75-F78 CarbonylContact O-C 3.54Å
79	W	51.3	Low	56.6	Low	133 Å²	133	114.7 Å²	114.7	50%	0.504	60%	0.6	S	S	.	*	S	Bend	trans	-70.9	136.5	168.2	-151.5	-97.3	0	0	0	106.5	M75 F76 H81	M75-W79 HydrophobicContact CB-CE3 4.14Å; M75-W79 HydrophobicContact CB-CZ3 4.38Å; M75-W79 HydrophobicContact CE-CZ3 4.2Å; M75-W79 WeakPolarHBondContact O-CA 3.48Å; M75-W79 WeakPolarHBondContact O-CB 3.44Å; M75-W79 PolarHBondContact O-N 3.06Å; M75-W79 HydrophobicContact SD-CZ3 4.04Å; F76-W79 PolarHBondContact O-N 3.05Å; W79-H81 VanDerWaalsContact C-N 3.33Å; W79-H81 PolarHBondContact O-N 3.44Å
80	P	45.5	Very low	54	Low	76 Å²	76	117.8 Å²	117.8	49%	0.494	61%	0.609	S	S	.	*			trans	-66.9	96.2	168.5	27.7	-32.6	0	0	0	108.9	S82	P80-S82 PolarHBondContact O-N 2.64Å
81	H	45	Very low	52	Low	154 Å²	154	116.6 Å²	116.6	71%	0.713	61%	0.606	S	S	*	*			trans	-73.6	55.7	157.7	-78.4	-27.1	0	0	0	110	W79	W79-H81 VanDerWaalsContact C-N 3.33Å; W79-H81 PolarHBondContact O-N 3.44Å
82	S	42.9	Very low	49.8	Very low	83 Å²	83	120.5 Å²	120.5	58%	0.58	62%	0.623	S	S	*	*			trans	-155.1	62.5	173.6	62.8	0	0	0	0	108.1	P80	P80-S82 PolarHBondContact O-N 2.64Å
83	I	41.5	Very low	47.8	Very low	158 Å²	158	127.4 Å²	127.4	81%	0.81	64%	0.643	S	S	*	*			trans	-95.5	49.3	149.7	-45	178.7	0	0	0	107.4
84	E	38.2	Very low	46.6	Very low	173 Å²	173	127.8 Å²	127.8	81%	0.808	64%	0.636	S	S	*	*	S	Bend	trans	-74.7	142.9	133.9	-73.5	-171.8	141.6	0	0	105.6	S86	E84-S86 PolarHBondContact O-N 2.65Å
85	S	32.8	Very low	45.3	Very low	95 Å²	95	129.5 Å²	129.5	66%	0.664	64%	0.644	S	S	*	*			trans	-58.9	110.7	179	52.5	0	0	0	0	109	N87	S85-N87 PolarHBondContact O-N 2.89Å
86	S	33.3	Very low	44.4	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	64%	0.64	S	S	*	*			trans	-58.7	90.4	152.4	53.6	0	0	0	0	106	E84 D88	E84-S86 PolarHBondContact O-N 2.65Å; S86-D88 PolarHBondContact O-N 2.75Å
87	N	34.5	Very low	43.6	Very low	111 Å²	111	132 Å²	132	59%	0.594	65%	0.651	S	S	*	*			trans	-56.5	103.4	154	-79.9	-24.7	0	0	0	103.9	S85 W89	S85-N87 PolarHBondContact O-N 2.89Å; N87-W89 PolarHBondContact O-N 2.79Å
88	D	30.8	Very low	43.4	Very low	123 Å²	123	130.7 Å²	130.7	66%	0.658	65%	0.649	S	S	*	*			trans	-56.8	89.4	168.4	-103.1	-3.4	0	0	0	106.6	S86 N90	S86-D88 PolarHBondContact O-N 2.75Å; D88-N90 PolarHBondContact O-N 3.17Å; D88-N90 PolarHBondContact OD2-ND2 3.28Å
89	W	37.8	Very low	44.6	Very low	226 Å²	226	123.3 Å²	123.3	86%	0.856	62%	0.619	S	S	*	*			trans	-74.2	50.1	160.8	-69.3	105.2	0	0	0	108.6	N87 V91	N87-W89 PolarHBondContact O-N 2.79Å; W89-V91 PolarHBondContact O-N 2.75Å; W89-V91 VanDerWaalsContact O-N 3.16Å
90	N	32	Very low	46.3	Very low	100 Å²	100	121.1 Å²	121.1	54%	0.535	62%	0.622	S	S	.	*			trans	-53.9	120.7	155	-75.4	-42.8	0	0	0	105.5	D88 E92	D88-N90 PolarHBondContact O-N 3.17Å; D88-N90 PolarHBondContact OD2-ND2 3.28Å; N90-E92 HydrophobicContact CB-CG 4.19Å; N90-E92 PolarHBondContact O-N 2.81Å
91	V	44.5	Very low	48.3	Very low	87 Å²	87	121.7 Å²	121.7	53%	0.527	62%	0.624	S	S	.	*			trans	-75.7	50.4	176.9	-170.3	0	0	0	0	108.8	W89 K93	W89-V91 PolarHBondContact O-N 2.75Å; W89-V91 VanDerWaalsContact O-N 3.16Å; V91-K93 VanDerWaalsContact C-N 3.3Å; V91-K93 PolarHBondContact O-N 2.96Å
92	E	36.5	Very low	50.4	Low	170 Å²	170	116.1 Å²	116.1	79%	0.794	60%	0.6	S	S	*	*			trans	-67.6	92.4	170.7	-78.1	-160.3	130.9	0	0	108.4	N90 R94	N90-E92 HydrophobicContact CB-CG 4.19Å; N90-E92 PolarHBondContact O-N 2.81Å; E92-R94 PolarHBondContact O-N 3Å
93	K	40.1	Very low	52.7	Low	195 Å²	195	121.1 Å²	121.1	85%	0.848	61%	0.606	S	S	*	*			trans	39.5	81.8	160.4	-65.2	173.9	-180	169.5	0	113.1	V91 S95	V91-K93 VanDerWaalsContact C-N 3.3Å; V91-K93 PolarHBondContact O-N 2.96Å; K93-S95 VanDerWaalsContact C-N 3.34Å; K93-S95 PolarHBondContact O-N 2.85Å
94	R	52.3	Low	55.1	Low	84 Å²	84	113.7 Å²	113.7	32%	0.317	57%	0.568	S	S	.	*			trans	-36.6	92.5	171.7	-71.1	177.4	172.7	-156.6	-1.8	111.4	E92 V96 L144 S189	E92-R94 PolarHBondContact O-N 3Å; R94-V96 PolarHBondContact O-N 3.11Å; R94-L144 HydrophobicContact CB-CD2 4.09Å; R94-S189 PolarHBondContact NH1-OG 3.03Å
95	S	48.1	Very low	57.6	Low	61 Å²	61	107.8 Å²	107.8	43%	0.427	55%	0.545	S	S	.	.			trans	-70.9	104.8	-177.6	174.7	0	0	0	0	107.6	K93 R97 D98 V99	K93-S95 VanDerWaalsContact C-N 3.34Å; K93-S95 PolarHBondContact O-N 2.85Å; S95-R97 PolarHBondContact O-N 2.78Å; S95-D98 PolarHBondContact O-N 3.23Å; S95-D98 PolarHBondContact OG-OD2 3.38Å; S95-V99 WeakPolarHBondContact O-CG2 3.4Å
96	V	53.3	Low	60.1	Low	68 Å²	68	106.1 Å²	106.1	41%	0.412	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-9.1	-179.7	-171.2	0	0	0	0	112.3	R94 T158	R94-V96 PolarHBondContact O-N 3.11Å; V96-T158 HydrophobicContact CG1-CG2 4.04Å
97	R	53.3	Low	62.8	Low	231 Å²	231	108 Å²	108	87%	0.872	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-28.8	-179	-60.1	-176.7	177.2	-175.7	-0.9	113.4	S95	S95-R97 PolarHBondContact O-N 2.78Å
98	D	63.2	Low	65.5	Low	136 Å²	136	103.1 Å²	103.1	73%	0.727	51%	0.514	S	S	*	.	S	Bend	trans	-119	29.6	-168.7	-52.2	-66.8	0	0	0	112.9	S95	S95-D98 PolarHBondContact O-N 3.23Å; S95-D98 PolarHBondContact OG-OD2 3.38Å
99	V	80.8	Confident	68.4	Low	24 Å²	24	101.1 Å²	101.1	15%	0.145	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-93	138.8	-174.8	178.7	0	0	0	0	111.3	S95 V101 L144 K145 K146	S95-V99 WeakPolarHBondContact O-CG2 3.4Å; V99-V101 PolarHBondContact O-N 2.86Å; V99-L144 HydrophobicContact CG1-CB 4.38Å; V99-L144 HydrophobicContact CG1-CD2 4.5Å; V99-L144 HydrophobicContact CG1-CG 3.91Å; V99-L144 VanDerWaalsContact CG1-O 3.32Å; V99-L144 WeakPolarHBondContact CG1-O 3.22Å; V99-L144 HydrophobicContact CG2-CD2 3.79Å; V99-L144 HydrophobicContact CG2-CG 4.11Å; V99-K145 VanDerWaalsContact CG1-CA 3.47Å; V99-K146 HydrophobicContact CG1-CB 4.47Å
100	P	86.2	Confident	71.1	Confident	88 Å²	88	94.2 Å²	94.2	57%	0.571	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-53.4	129.3	173.9	-27	35.3	0	0	0	113.2	K146	P100-K146 PolarHBondContact O-N 2.89Å
101	V	87.8	Confident	74.1	Confident	88 Å²	88	90 Å²	90	53%	0.533	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.6	179.2	-174.9	0	0	0	0	110.2	V99 K146 V148	V99-V101 PolarHBondContact O-N 2.86Å; V101-K146 CarbonylContact C-O 3.6Å; V101-K146 WeakPolarHBondContact CA-O 3.49Å; V101-K146 HydrophobicContact CG2-CB 4.35Å; V101-K146 HydrophobicContact CG2-CD 4.31Å; V101-V148 HydrophobicContact CG1-CG1 4.13Å; V101-V148 HydrophobicContact CG1-CG2 3.74Å
102	V	89.6	Confident	76.5	Confident	37 Å²	37	93 Å²	93	22%	0.224	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.2	172.4	179.4	0	0	0	0	108.2	L104 K145 K146 Y147 V148	V102-L104 HydrophobicContact CG1-CD2 4.29Å; V102-K145 HydrophobicContact CG2-CB 4.29Å; V102-K145 HydrophobicContact CG2-CD 3.7Å; V102-K146 PolarHBondContact N-O 3.11Å; V102-Y147 HydrophobicContact CB-CD1 3.77Å; V102-Y147 HydrophobicContact CB-CE1 3.92Å; V102-Y147 HydrophobicContact CG1-CD1 3.92Å; V102-Y147 HydrophobicContact CG1-CE1 3.95Å; V102-Y147 HydrophobicContact CG2-CD1 4.49Å; V102-Y147 HydrophobicContact CG2-CE1 4.2Å; V102-Y147 WeakPolarHBondContact O-CA 3.28Å; V102-V148 PolarHBondContact O-N 3.44Å
103	R	91.1	Very high	79.1	Confident	187 Å²	187	95.3 Å²	95.3	71%	0.706	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	138.9	170.4	-62	-173.2	-178.5	-175.9	-0.6	109.4	P105 V148	R103-P105 WeakPolarHBondContact O-CD 3.23Å; R103-V148 CarbonylContact C-O 3.56Å; R103-V148 WeakPolarHBondContact CA-O 3.48Å; R103-V148 HydrophobicContact CB-CG2 4.48Å; R103-V148 HydrophobicContact CG-CG2 3.89Å
104	L	91.6	Very high	81.3	Confident	2 Å²	2	86.9 Å²	86.9	1%	0.01	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	100.7	174.5	-61.3	-176.6	0	0	0	109.3	V102 Y147 V148 V155 E202 Q205 A206 Q209	V102-L104 HydrophobicContact CG1-CD2 4.29Å; L104-Y147 HydrophobicContact CD1-CD1 4.39Å; L104-Y147 HydrophobicContact CD2-CD1 4.04Å; L104-Y147 HydrophobicContact CG-CD1 4.32Å; L104-V148 PolarHBondContact N-O 3.24Å; L104-V155 HydrophobicContact CD1-CG2 3.76Å; L104-E202 VanDerWaalsContact CD1-O 3.31Å; L104-E202 WeakPolarHBondContact CD1-O 3.14Å; L104-Q205 HydrophobicContact CD1-CB 4.03Å; L104-A206 HydrophobicContact CD1-CB 3.96Å; L104-Q209 HydrophobicContact CD2-CG 3.75Å
105	P	89.4	Confident	83	Confident	49 Å²	49	85.9 Å²	85.9	32%	0.318	44%	0.444	S	S	.	.			trans	-51.2	142.4	167.7	-29.8	36.1	0	0	0	112.6	R103 D107 S108 D150	R103-P105 WeakPolarHBondContact O-CD 3.23Å; P105-D107 WeakPolarHBondContact CB-OD1 3.44Å; P105-D107 PolarHBondContact O-N 2.86Å; P105-D107 VanDerWaalsContact O-N 3.1Å; P105-S108 VanDerWaalsContact CD-OG 3.31Å; P105-S108 WeakPolarHBondContact CD-OG 3.47Å; P105-S108 WeakPolarHBondContact O-CB 3.19Å; P105-S108 PolarHBondContact O-N 3.31Å; P105-S108 PolarHBondContact O-OG 3.14Å; P105-D150 WeakPolarHBondContact CA-OD1 3.37Å; P105-D150 WeakPolarHBondContact CA-OD2 3.41Å
106	A	86.9	Confident	85	Confident	61 Å²	61	87.4 Å²	87.4	50%	0.504	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.1	-179.1	0	0	0	0	0	114.4	D150 K201 Q205	A106-D150 PolarHBondContact N-OD2 3.45Å; A106-K201 PolarHBondContact O-NZ 3.32Å; A106-Q205 PolarHBondContact O-NE2 3.11Å
107	D	89.9	Confident	86.8	Confident	139 Å²	139	87.8 Å²	87.8	74%	0.743	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	2.5	175.3	67.6	-35.3	0	0	0	114.1	P105	P105-D107 WeakPolarHBondContact CB-OD1 3.44Å; P105-D107 PolarHBondContact O-N 2.86Å; P105-D107 VanDerWaalsContact O-N 3.1Å
108	S	90.4	Very high	88.7	Confident	9 Å²	9	76.8 Å²	76.8	6%	0.063	41%	0.411	C	S	.	.			trans	-52.5	139.9	174.1	-65.9	0	0	0	0	111.1	P105 Q205	P105-S108 VanDerWaalsContact CD-OG 3.31Å; P105-S108 WeakPolarHBondContact CD-OG 3.47Å; P105-S108 WeakPolarHBondContact O-CB 3.19Å; P105-S108 PolarHBondContact O-N 3.31Å; P105-S108 PolarHBondContact O-OG 3.14Å; S108-Q205 PolarHBondContact O-NE2 2.9Å
109	P	92.4	Very high	90.1	Very high	81 Å²	81	74.9 Å²	74.9	53%	0.526	39%	0.393	S	S	.	.			trans	-58.4	144.6	-179	25.2	-34.9	0	0	0	111.4	A208	P109-A208 HydrophobicContact CG-CB 4.22Å; P109-A208 WeakPolarHBondContact O-CB 3.34Å
110	I	94.5	Very high	90.6	Very high	82 Å²	82	75.6 Å²	75.6	42%	0.421	40%	0.396	S	S	.	.			trans	-115.5	131.3	177.5	-60.8	167.1	0	0	0	106.8	K201 A204 Q205 P239	I110-K201 HydrophobicContact CD1-CD 4.37Å; I110-K201 HydrophobicContact CD1-CG 3.86Å; I110-A204 HydrophobicContact CG2-CB 4.03Å; I110-Q205 HydrophobicContact CD1-CG 4.44Å; I110-Q205 HydrophobicContact CG1-CG 3.61Å; I110-P239 HydrophobicContact CG2-CB 4.27Å; I110-P239 HydrophobicContact CG2-CG 4.27Å
111	P	94.8	Very high	90.6	Very high	10 Å²	10	79 Å²	79	7%	0.065	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-52.9	155.2	170.3	-28.8	37.9	0	0	0	112.6	A204 A208 W213 P239 D241	P111-A204 WeakPolarHBondContact CD-O 3.18Å; P111-A204 WeakPolarHBondContact CG-O 3.29Å; P111-A208 HydrophobicContact CG-CB 4.17Å; P111-W213 HydrophobicContact CG-CZ2 4.31Å; P111-P239 HydrophobicContact CB-CB 4.08Å; P111-P239 WeakPolarHBondContact O-CB 3.41Å; P111-D241 WeakPolarHBondContact CB-OD2 3.47Å
112	E	94.1	Very high	90.7	Very high	150 Å²	150	78.1 Å²	78.1	70%	0.701	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-66.4	159.9	165	-66.8	-178	-177.7	0	0	110.7	P239 R240 D241	E112-P239 CarbonylContact O-C 3.6Å; E112-P239 WeakPolarHBondContact O-CB 3.38Å; E112-R240 PolarHBondContact O-N 3.43Å; E112-D241 WeakPolarHBondContact CB-OD1 3.5Å; E112-D241 PolarHBondContact N-OD1 3.19Å; E112-D241 PolarHBondContact O-N 3.41Å
113	R	91.4	Very high	91	Very high	220 Å²	220	76.5 Å²	76.5	83%	0.83	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-61.8	147.4	170.9	-75.8	-173.6	172.5	-169	-3.5	109.4	D115	R113-D115 PolarHBondContact O-N 3.35Å
114	G	85.9	Confident	91.2	Very high	18 Å²	18	68.4 Å²	68.4	19%	0.186	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-56.8	120.1	-176.1	0	0	0	0	0	112.7	L116 D241	G114-L116 PolarHBondContact O-N 2.84Å; G114-D241 WeakPolarHBondContact CA-O 3.16Å
115	D	87.9	Confident	91.4	Very high	63 Å²	63	70.4 Å²	70.4	34%	0.337	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-74	119	-178.4	-179.9	0.5	0	0	0	111.1	R113 S117 C118 D241 R256	R113-D115 PolarHBondContact O-N 3.35Å; D115-S117 VanDerWaalsContact C-N 3.32Å; D115-S117 WeakPolarHBondContact OD1-CA 3.33Å; D115-S117 VanDerWaalsContact OD1-CB 3.27Å; D115-S117 WeakPolarHBondContact OD1-CB 3.18Å; D115-S117 PolarHBondContact OD1-N 2.93Å; D115-S117 PolarHBondContact OD1-OG 2.92Å; D115-S117 PolarHBondContact OD2-OG 3.05Å; D115-C118 WeakPolarHBondContact O-CB 3.46Å; D115-C118 PolarHBondContact O-N 3.37Å; D115-D241 PolarHBondContact N-O 2.03Å; D115-R256 WeakPolarHBondContact O-CD 3.38Å; D115-R256 PolarHBondContact O-NH1 2.76Å
116	L	91	Very high	91.5	Very high	92 Å²	92	71.4 Å²	71.4	48%	0.482	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.4	179	-61.2	179.7	0	0	0	113.4	G114 C118 R119 R256	G114-L116 PolarHBondContact O-N 2.84Å; L116-C118 VanDerWaalsContact C-N 3.28Å; L116-R119 PolarHBondContact O-NH1 3.21Å; L116-R256 HydrophobicContact CD2-CG 4.42Å
117	S	91.4	Very high	91.6	Very high	76 Å²	76	78.4 Å²	78.4	53%	0.531	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.4	174.5	80.6	0	0	0	0	113.1	D115 R119	D115-S117 VanDerWaalsContact C-N 3.32Å; D115-S117 WeakPolarHBondContact OD1-CA 3.33Å; D115-S117 VanDerWaalsContact OD1-CB 3.27Å; D115-S117 WeakPolarHBondContact OD1-CB 3.18Å; D115-S117 PolarHBondContact OD1-N 2.93Å; D115-S117 PolarHBondContact OD1-OG 2.92Å; D115-S117 PolarHBondContact OD2-OG 3.05Å; S117-R119 PolarHBondContact O-N 3.11Å; S117-R119 PolarHBondContact O-NH1 2.79Å
118	C	92.2	Very high	91.6	Very high	0 Å²	0	75 Å²	75	0%	0	37%	0.366	C	S	.	.			trans	-58	133.1	179.5	-80.5	0	0	0	0	113.2	D115 L116 C123 Y259	D115-C118 WeakPolarHBondContact O-CB 3.46Å; D115-C118 PolarHBondContact O-N 3.37Å; L116-C118 VanDerWaalsContact C-N 3.28Å; C118-C123 WeakPolarHBondContact CA-SG 3.3Å; C118-C123 HydrophobicContact CB-CB 3.54Å; C118-C123 WeakPolarHBondContact CB-SG 3.38Å; C118-C123 WeakPolarHBondContact SG-CB 3.44Å; C118-C123 CovalentContact SG-SG 2.04Å; C118-C123 PolarHBondContact SG-SG 3.13Å; C118-Y259 HydrophobicContact CB-CD1 4.04Å; C118-Y259 HydrophobicContact CB-CE1 3.82Å; C118-Y259 HydrophobicContact CB-CE2 4.47Å; C118-Y259 HydrophobicContact CB-CG 4.46Å
119	R	92.6	Very high	91.7	Very high	96 Å²	96	74.9 Å²	74.9	36%	0.362	37%	0.365	S	S	.	.			trans	-136.6	166.4	174.1	-61	-62.5	179.9	-85.8	0.1	108.8	L116 S117 H121 T122 C123	L116-R119 PolarHBondContact O-NH1 3.21Å; S117-R119 PolarHBondContact O-N 3.11Å; S117-R119 PolarHBondContact O-NH1 2.79Å; R119-H121 PolarHBondContact O-N 3.24Å; R119-H121 VanDerWaalsContact O-N 3.09Å; R119-T122 PolarHBondContact N-OG1 3.13Å; R119-T122 PolarHBondContact O-N 3.15Å; R119-T122 PolarHBondContact O-OG1 3.3Å; R119-C123 PolarHBondContact O-N 3.12Å
120	M	90.8	Very high	91.1	Very high	39 Å²	39	73.9 Å²	73.9	19%	0.192	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.3	-177.4	-163.6	61.5	74	0	0	113	F124 R450 I451	M120-F124 HydrophobicContact CG-CB 4.42Å; M120-F124 WeakPolarHBondContact O-CB 3.08Å; M120-F124 HydrophobicContact SD-CB 3.5Å; M120-F124 VanDerWaalsContact SD-CB 3.5Å; M120-F124 HydrophobicContact SD-CD1 3.72Å; M120-F124 HydrophobicContact SD-CD2 3.71Å; M120-F124 HydrophobicContact SD-CE1 4.35Å; M120-F124 HydrophobicContact SD-CE2 4.34Å; M120-F124 HydrophobicContact SD-CG 3.37Å; M120-F124 WeakPolarHBondContact SD-CG 3.48Å; M120-R450 HydrophobicContact CE-CB 4.21Å; M120-I451 HydrophobicContact SD-CD1 4.23Å
121	H	87.1	Confident	90.7	Very high	160 Å²	160	74.2 Å²	74.2	74%	0.741	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-3.7	177.2	60.6	-94.5	0	0	0	114.6	R119	R119-H121 PolarHBondContact O-N 3.24Å; R119-H121 VanDerWaalsContact O-N 3.09Å
122	T	90.4	Very high	90	Very high	69 Å²	69	76.9 Å²	76.9	42%	0.423	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-34.3	-178.4	59.2	0	0	0	0	114.5	R119	R119-T122 PolarHBondContact N-OG1 3.13Å; R119-T122 PolarHBondContact O-N 3.15Å; R119-T122 PolarHBondContact O-OG1 3.3Å
123	C	94.8	Very high	89.2	Confident	4 Å²	4	72.4 Å²	72.4	3%	0.027	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-17.5	-172.4	-72.2	0	0	0	0	114.6	C118 R119 T217 R242 Y259	C118-C123 WeakPolarHBondContact CA-SG 3.3Å; C118-C123 HydrophobicContact CB-CB 3.54Å; C118-C123 WeakPolarHBondContact CB-SG 3.38Å; C118-C123 WeakPolarHBondContact SG-CB 3.44Å; C118-C123 CovalentContact SG-SG 2.04Å; C118-C123 PolarHBondContact SG-SG 3.13Å; R119-C123 PolarHBondContact O-N 3.12Å; C123-T217 PolarHBondContact O-OG1 3.26Å; C123-T217 VanDerWaalsContact O-OG1 3.06Å; C123-R242 HydrophobicContact CB-CB 4.07Å; C123-R242 HydrophobicContact CB-CG 4.26Å; C123-Y259 HydrophobicContact CB-CE2 3.82Å; C123-Y259 VanDerWaalsContact CB-OH 3.22Å; C123-Y259 WeakPolarHBondContact CB-OH 3.25Å
124	F	96.1	Very high	88.7	Confident	16 Å²	16	70.4 Å²	70.4	7%	0.07	36%	0.363	C	S	.	.			trans	-94.1	141.4	174.5	-162.9	-92.2	0	0	0	110.9	M120 V126 L185 N218 L244 Y259 I451	M120-F124 HydrophobicContact CG-CB 4.42Å; M120-F124 WeakPolarHBondContact O-CB 3.08Å; M120-F124 HydrophobicContact SD-CB 3.5Å; M120-F124 VanDerWaalsContact SD-CB 3.5Å; M120-F124 HydrophobicContact SD-CD1 3.72Å; M120-F124 HydrophobicContact SD-CD2 3.71Å; M120-F124 HydrophobicContact SD-CE1 4.35Å; M120-F124 HydrophobicContact SD-CE2 4.34Å; M120-F124 HydrophobicContact SD-CG 3.37Å; M120-F124 WeakPolarHBondContact SD-CG 3.48Å; F124-V126 HydrophobicContact CD1-CB 4.44Å; F124-L185 HydrophobicContact CE2-CD2 3.51Å; F124-L185 HydrophobicContact CZ-CD2 3.73Å; F124-N218 HydrophobicContact CE2-CB 4.13Å; F124-N218 HydrophobicContact CZ-CB 4.43Å; F124-N218 WeakPolarHBondContact CZ-ND2 3.18Å; F124-L244 HydrophobicContact CD2-CD1 3.96Å; F124-L244 HydrophobicContact CD2-CD2 4.17Å; F124-L244 HydrophobicContact CE2-CD1 4.11Å; F124-L244 HydrophobicContact CE2-CD2 4.17Å; F124-Y259 HydrophobicContact CB-CE2 4.08Å; F124-I451 HydrophobicContact CD1-CD1 3.99Å; F124-I451 HydrophobicContact CE1-CD1 3.43Å; F124-I451 VanDerWaalsContact CE1-CD1 3.43Å; F124-I451 HydrophobicContact CE1-CG1 4.39Å; F124-I451 HydrophobicContact CZ-CD1 3.98Å
125	D	94.9	Very high	88.6	Confident	44 Å²	44	72.5 Å²	72.5	24%	0.235	37%	0.37	C	S	.	.			trans	-101.6	92.5	173.9	-177.8	-1.2	0	0	0	109.4	Y127 R128 T217 N218	D125-Y127 PolarHBondContact O-N 3.08Å; D125-Y127 WeakPolarHBondContact OD1-CB 3.44Å; D125-Y127 PolarHBondContact OD1-N 3.38Å; D125-Y127 VanDerWaalsContact OD1-N 3.13Å; D125-R128 HydrophobicContact CB-CG 4.25Å; D125-R128 PolarHBondContact O-N 2.98Å; D125-R128 WeakPolarHBondContact OD2-CG 3.37Å; D125-R128 IonicContact OD2-CZ 3.24Å; D125-R128 IonicContact OD2-NE 3.85Å; D125-R128 PolarHBondContact OD2-NE 2.73Å; D125-R128 IonicContact OD2-NH2 2.74Å; D125-R128 PolarHBondContact OD2-NH2 2.98Å; D125-T217 HydrophobicContact CB-CG2 3.67Å; D125-N218 PolarHBondContact N-OD1 3.38Å; D125-N218 PolarHBondContact O-ND2 3.3Å
126	V	91.1	Very high	88.8	Confident	71 Å²	71	72.1 Å²	72.1	43%	0.43	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-64.2	-23.4	179.4	68.3	0	0	0	0	112.5	F124 R128 C129 I451	F124-V126 HydrophobicContact CD1-CB 4.44Å; V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 2.63Å; V126-C129 VanDerWaalsContact O-CB 3.32Å; V126-C129 WeakPolarHBondContact O-CB 3.48Å; V126-C129 PolarHBondContact O-N 3.17Å; V126-I451 HydrophobicContact CG2-CD1 4.23Å; V126-I451 HydrophobicContact CG2-CG2 4.49Å
127	Y	89.6	Confident	89	Confident	208 Å²	208	67.7 Å²	67.7	82%	0.816	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-71.5	-22.2	-177.3	-59	-77.6	0	0	0	112.6	D125 C129 G130	D125-Y127 PolarHBondContact O-N 3.08Å; D125-Y127 WeakPolarHBondContact OD1-CB 3.44Å; D125-Y127 PolarHBondContact OD1-N 3.38Å; D125-Y127 VanDerWaalsContact OD1-N 3.13Å; Y127-C129 PolarHBondContact O-N 2.92Å; Y127-G130 PolarHBondContact O-N 3.3Å
128	R	90.2	Very high	89.3	Confident	68 Å²	68	65.7 Å²	65.7	26%	0.257	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-64.3	-20.1	168.9	-66.1	178.3	-166.2	-159.8	-2.9	113.1	D125 V126 G130 D214	D125-R128 HydrophobicContact CB-CG 4.25Å; D125-R128 PolarHBondContact O-N 2.98Å; D125-R128 WeakPolarHBondContact OD2-CG 3.37Å; D125-R128 IonicContact OD2-CZ 3.24Å; D125-R128 IonicContact OD2-NE 3.85Å; D125-R128 PolarHBondContact OD2-NE 2.73Å; D125-R128 IonicContact OD2-NH2 2.74Å; D125-R128 PolarHBondContact OD2-NH2 2.98Å; V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 2.63Å; R128-G130 VanDerWaalsContact C-N 3.28Å; R128-G130 PolarHBondContact O-N 2.75Å; R128-D214 IonicContact CZ-OD2 2.84Å; R128-D214 IonicContact NH1-OD2 3.87Å; R128-D214 IonicContact NH2-OD2 3.09Å; R128-D214 PolarHBondContact NH2-OD2 2.04Å
129	C	91.6	Very high	89.6	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.034	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-90	12.8	-178.1	-48.9	0	0	0	0	112.9	V126 Y127 F131 C184 I451 Y452	V126-C129 VanDerWaalsContact O-CB 3.32Å; V126-C129 WeakPolarHBondContact O-CB 3.48Å; V126-C129 PolarHBondContact O-N 3.17Å; Y127-C129 PolarHBondContact O-N 2.92Å; C129-F131 PolarHBondContact O-N 2.99Å; C129-C184 HydrophobicContact CB-CB 3.67Å; C129-C184 WeakPolarHBondContact CB-SG 3.43Å; C129-C184 WeakPolarHBondContact SG-CB 3.25Å; C129-C184 CovalentContact SG-SG 2.03Å; C129-C184 PolarHBondContact SG-SG 2.85Å; C129-I451 HydrophobicContact CB-CG2 3.85Å; C129-Y452 PolarHBondContact O-OH 3.48Å
130	G	81.8	Confident	89.8	Confident	60 Å²	60	63.3 Å²	63.3	62%	0.619	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-63.3	-19.6	179.3	0	0	0	0	0	115.4	Y127 R128 N132	Y127-G130 PolarHBondContact O-N 3.3Å; R128-G130 VanDerWaalsContact C-N 3.28Å; R128-G130 PolarHBondContact O-N 2.75Å; G130-N132 PolarHBondContact O-N 2.73Å
131	F	84.6	Confident	90.2	Very high	90 Å²	90	62 Å²	62	40%	0.395	31%	0.309	S	S	.	.			trans	-89.7	99.4	171.8	-175.7	-97.1	0	0	0	110.3	C129 P133 K138 R182	C129-F131 PolarHBondContact O-N 2.99Å; F131-P133 VanDerWaalsContact C-CD 3.49Å; F131-P133 HydrophobicContact CD1-CG 4.24Å; F131-P133 HydrophobicContact CE1-CG 3.68Å; F131-P133 HydrophobicContact CZ-CG 4.12Å; F131-K138 HydrophobicContact CD1-CG 3.88Å; F131-K138 HydrophobicContact CE1-CG 4.15Å; F131-R182 HydrophobicContact CB-CB 4.44Å; F131-R182 HydrophobicContact CD1-CB 3.75Å; F131-R182 HydrophobicContact CD1-CG 4.03Å; F131-R182 HydrophobicContact CD2-CG 4.43Å; F131-R182 HydrophobicContact CE1-CB 4.23Å; F131-R182 HydrophobicContact CE1-CG 4.25Å; F131-R182 HydrophobicContact CG-CB 4.12Å; F131-R182 HydrophobicContact CG-CG 4.12Å
132	N	80.6	Confident	90.5	Very high	65 Å²	65	55 Å²	55	35%	0.348	28%	0.276	S	S	.	.			trans	-128.6	50.5	-163.8	68.6	-16.4	0	0	0	115	G130 K134 N135 Y452	G130-N132 PolarHBondContact O-N 2.73Å; N132-K134 PolarHBondContact O-N 2.73Å; N132-K134 VanDerWaalsContact O-N 3.09Å; N132-N135 PolarHBondContact O-N 3.26Å; N132-Y452 HydrophobicContact CB-CE1 3.79Å; N132-Y452 HydrophobicContact CB-CE2 4.49Å; N132-Y452 WeakPolarHBondContact CB-OH 2.98Å
133	P	77.1	Confident	90.5	Very high	56 Å²	56	54.7 Å²	54.7	36%	0.364	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-56.4	120.9	-178.7	26.5	-35.2	0	0	0	111	F131 N135 K136	F131-P133 VanDerWaalsContact C-CD 3.49Å; F131-P133 HydrophobicContact CD1-CG 4.24Å; F131-P133 HydrophobicContact CE1-CG 3.68Å; F131-P133 HydrophobicContact CZ-CG 4.12Å; P133-N135 VanDerWaalsContact C-N 3.32Å; P133-N135 PolarHBondContact O-N 3.24Å; P133-K136 PolarHBondContact O-N 2.66Å
134	K	80.4	Confident	90.1	Very high	179 Å²	179	56 Å²	56	78%	0.778	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	59.6	33.2	-174.6	-49.7	176.9	-178.4	174.8	0	114.5	N132 K136	N132-K134 PolarHBondContact O-N 2.73Å; N132-K134 VanDerWaalsContact O-N 3.09Å; K134-K136 PolarHBondContact O-N 2.72Å
135	N	85.3	Confident	89.8	Confident	62 Å²	62	59.3 Å²	59.3	33%	0.332	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	58	35.5	-179.7	-43.2	-28.2	0	0	0	112.4	N132 P133 N448 Y452 Y454 A455	N132-N135 PolarHBondContact O-N 3.26Å; P133-N135 VanDerWaalsContact C-N 3.32Å; P133-N135 PolarHBondContact O-N 3.24Å; N135-N448 PolarHBondContact O-ND2 3.15Å; N135-N448 VanDerWaalsContact O-ND2 3.16Å; N135-N448 PolarHBondContact O-OD1 2.93Å; N135-Y452 HydrophobicContact CB-CD2 4.47Å; N135-Y452 HydrophobicContact CB-CG 4.34Å; N135-Y452 WeakPolarHBondContact O-CD2 3.05Å; N135-Y454 HydrophobicContact CB-CE2 4.34Å; N135-Y454 PolarHBondContact OD1-OH 2.75Å; N135-A455 HydrophobicContact CB-CB 3.89Å
136	K	90.9	Very high	89.4	Confident	54 Å²	54	61.8 Å²	61.8	24%	0.235	31%	0.31	C	S	.	.			trans	-112.5	134	174.5	-69.6	-167.9	176.9	-171	0	111.3	P133 K134 D174 Y175 N448	P133-K136 PolarHBondContact O-N 2.66Å; K134-K136 PolarHBondContact O-N 2.72Å; K136-D174 HydrophobicContact CD-CB 3.73Å; K136-D174 IonicContact NZ-OD2 3.33Å; K136-D174 PolarHBondContact NZ-OD2 3.14Å; K136-Y175 HydrophobicContact CB-CE1 4.39Å; K136-Y175 HydrophobicContact CD-CE1 4.45Å; K136-Y175 HydrophobicContact CG-CE1 4.45Å; K136-N448 VanDerWaalsContact CA-OD1 3.24Å; K136-N448 WeakPolarHBondContact CA-OD1 3.45Å
137	I	96.2	Very high	89.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.			trans	-64.9	156.7	169.4	62	178.3	0	0	0	109.8	Y175 C184 L185 I447 N448 I451 Y452	I137-Y175 HydrophobicContact CG1-CD1 3.68Å; I137-Y175 HydrophobicContact CG1-CE1 3.93Å; I137-Y175 WeakPolarHBondContact O-CD1 3.28Å; I137-C184 HydrophobicContact CB-CB 3.94Å; I137-C184 HydrophobicContact CG2-CB 4.29Å; I137-C184 VanDerWaalsContact CG2-SG 3.5Å; I137-L185 HydrophobicContact CD1-CD1 3.62Å; I137-L185 HydrophobicContact CD1-CG 4.18Å; I137-I447 HydrophobicContact CD1-CB 4.36Å; I137-I447 HydrophobicContact CD1-CG2 4.12Å; I137-N448 HydrophobicContact CD1-CB 4.25Å; I137-N448 HydrophobicContact CG1-CB 4.22Å; I137-N448 PolarHBondContact N-OD1 3.11Å; I137-I451 HydrophobicContact CG2-CB 4.03Å; I137-I451 HydrophobicContact CG2-CG1 4.17Å; I137-I451 HydrophobicContact CG2-CG2 4.03Å; I137-Y452 HydrophobicContact CG2-CD2 4.41Å; I137-Y452 HydrophobicContact CG2-CE2 3.58Å
138	K	97.4	Very high	89.5	Confident	34 Å²	34	49.8 Å²	49.8	15%	0.148	26%	0.257	C	S	.	.			trans	-112.2	140.1	172.3	-71.7	-55.5	-162.3	167.8	0	112.3	F131 D174 Y175 Y176 T177 R182 C184 L185	F131-K138 HydrophobicContact CD1-CG 3.88Å; F131-K138 HydrophobicContact CE1-CG 4.15Å; K138-D174 PolarHBondContact NZ-O 3.09Å; K138-Y175 CarbonylContact C-O 3.49Å; K138-Y175 VanDerWaalsContact CA-O 3.28Å; K138-Y175 WeakPolarHBondContact CA-O 3.42Å; K138-Y175 WeakPolarHBondContact CD-O 3.42Å; K138-Y176 WeakPolarHBondContact CD-O 3.24Å; K138-Y176 PolarHBondContact NZ-O 3.11Å; K138-T177 HydrophobicContact CB-CG2 3.84Å; K138-R182 WeakPolarHBondContact CB-O 3.38Å; K138-C184 WeakPolarHBondContact O-CA 3.27Å; K138-C184 WeakPolarHBondContact O-CB 3.28Å; K138-C184 PolarHBondContact O-N 2.86Å; K138-L185 PolarHBondContact O-N 3.35Å
139	V	98.3	Very high	89.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117.4	-172	-175.4	0	0	0	0	108.5	I170 Y175 T177 L185 V187 L444	V139-I170 HydrophobicContact CB-CG2 4.18Å; V139-I170 HydrophobicContact CG1-CG2 3.81Å; V139-Y175 PolarHBondContact N-O 3.25Å; V139-T177 PolarHBondContact O-N 2.98Å; V139-T177 VanDerWaalsContact O-N 3.07Å; V139-L185 WeakPolarHBondContact CA-O 3.14Å; V139-L185 HydrophobicContact CG1-CB 4.4Å; V139-L185 HydrophobicContact CG2-CB 4.18Å; V139-L185 HydrophobicContact CG2-CD1 4.27Å; V139-V187 HydrophobicContact CG1-CB 4.44Å; V139-V187 HydrophobicContact CG1-CG2 3.64Å; V139-L444 HydrophobicContact CG2-CD1 4.15Å; V139-L444 HydrophobicContact CG2-CD2 3.83Å
140	Y	97.9	Very high	89.4	Confident	45 Å²	45	51 Å²	51	18%	0.176	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128	172.7	175.9	-95.2	0	0	0	110.1	Y142 D178 I180 L185 F186 V187	Y140-Y142 HydrophobicContact CE1-CD1 4.03Å; Y140-Y142 HydrophobicContact CE1-CE1 4.47Å; Y140-Y142 HydrophobicContact CE1-CG 4.17Å; Y140-D178 WeakPolarHBondContact CD2-O 3.48Å; Y140-D178 VanDerWaalsContact CE2-O 3.24Å; Y140-D178 WeakPolarHBondContact CE2-O 3.36Å; Y140-I180 HydrophobicContact CD1-CD1 4.18Å; Y140-I180 HydrophobicContact CD1-CG1 3.94Å; Y140-I180 HydrophobicContact CD2-CB 4.05Å; Y140-I180 HydrophobicContact CD2-CG1 4.33Å; Y140-I180 HydrophobicContact CE1-CD1 3.81Å; Y140-I180 HydrophobicContact CE1-CG1 4.01Å; Y140-I180 HydrophobicContact CE2-CB 4.05Å; Y140-I180 HydrophobicContact CE2-CG1 4.42Å; Y140-I180 HydrophobicContact CG-CB 4.3Å; Y140-I180 HydrophobicContact CG-CG1 4.09Å; Y140-L185 PolarHBondContact N-O 2.98Å; Y140-F186 HydrophobicContact CD1-CD1 4.09Å; Y140-F186 HydrophobicContact CG-CD1 4.49Å; Y140-F186 WeakPolarHBondContact O-CA 3.26Å; Y140-V187 PolarHBondContact O-N 3.47Å
141	I	97.4	Very high	89.7	Confident	11 Å²	11	57 Å²	57	6%	0.056	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.2	173.6	-56.3	173.3	0	0	0	107.9	A143 L167 I170 Y176 V187	I141-A143 PolarHBondContact O-N 3.17Å; I141-L167 WeakPolarHBondContact CD1-O 3.49Å; I141-L167 HydrophobicContact CG2-CD2 3.96Å; I141-I170 HydrophobicContact CD1-CB 3.98Å; I141-I170 HydrophobicContact CD1-CG2 3.85Å; I141-I170 HydrophobicContact CG1-CG2 4.08Å; I141-Y176 HydrophobicContact CB-CE2 4.45Å; I141-Y176 HydrophobicContact CD1-CD2 4.18Å; I141-Y176 HydrophobicContact CD1-CE2 4.26Å; I141-Y176 HydrophobicContact CG1-CD2 4.31Å; I141-Y176 HydrophobicContact CG1-CE2 4.28Å; I141-V187 WeakPolarHBondContact CA-O 3.45Å
142	Y	94.4	Very high	89.8	Confident	13 Å²	13	54.8 Å²	54.8	5%	0.051	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-60.7	140.2	175.2	-78.2	-86.4	0	0	0	111.2	Y140 F186 V187 S189 L210 R212 H219	Y140-Y142 HydrophobicContact CE1-CD1 4.03Å; Y140-Y142 HydrophobicContact CE1-CE1 4.47Å; Y140-Y142 HydrophobicContact CE1-CG 4.17Å; Y142-F186 HydrophobicContact CE2-CB 3.83Å; Y142-V187 PolarHBondContact N-O 2.94Å; Y142-S189 VanDerWaalsContact O-CB 3.31Å; Y142-S189 WeakPolarHBondContact O-CB 3.16Å; Y142-S189 PolarHBondContact O-OG 3.08Å; Y142-L210 HydrophobicContact CD1-CD2 3.99Å; Y142-L210 HydrophobicContact CD2-CD1 4.34Å; Y142-L210 HydrophobicContact CD2-CD2 4.38Å; Y142-L210 HydrophobicContact CE1-CB 3.93Å; Y142-L210 HydrophobicContact CE1-CD2 4.17Å; Y142-L210 HydrophobicContact CE2-CB 4.31Å; Y142-L210 HydrophobicContact CE2-CD1 4.04Å; Y142-L210 HydrophobicContact CG-CD2 4.08Å; Y142-R212 WeakPolarHBondContact OH-CB 3.44Å; Y142-R212 PolarHBondContact OH-N 3.47Å; Y142-H219 AromaticContact CE2-CD2 3.84Å; Y142-H219 AromaticContact CE2-NE2 3.43Å; Y142-H219 WeakPolarHBondContact CE2-NE2 3.2Å; Y142-H219 AromaticContact CZ-NE2 3.56Å; Y142-H219 PolarHBondContact OH-NE2 3.01Å
143	A	89.9	Confident	90.1	Very high	64 Å²	64	55.1 Å²	55.1	53%	0.529	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-53.7	142.4	172.7	0	0	0	0	0	111.7	I141 K145	I141-A143 PolarHBondContact O-N 3.17Å; A143-K145 PolarHBondContact O-N 3.43Å
144	L	87.8	Confident	90.6	Very high	31 Å²	31	55 Å²	55	16%	0.162	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-62.8	133.7	177.7	-175.1	58.5	0	0	0	110.2	R94 V99 I159	R94-L144 HydrophobicContact CB-CD2 4.09Å; V99-L144 HydrophobicContact CG1-CB 4.38Å; V99-L144 HydrophobicContact CG1-CD2 4.5Å; V99-L144 HydrophobicContact CG1-CG 3.91Å; V99-L144 VanDerWaalsContact CG1-O 3.32Å; V99-L144 WeakPolarHBondContact CG1-O 3.22Å; V99-L144 HydrophobicContact CG2-CD2 3.79Å; V99-L144 HydrophobicContact CG2-CG 4.11Å; L144-I159 HydrophobicContact CD1-CD1 3.35Å; L144-I159 HydrophobicContact CD1-CG1 4.29Å
145	K	87.8	Confident	90.8	Very high	86 Å²	86	46.8 Å²	46.8	37%	0.374	25%	0.248	S	C	.	.			trans	-138.9	145.3	175.8	-63.5	-171.1	-171.9	177.8	0	109.7	V99 V102 A143 Y147	V99-K145 VanDerWaalsContact CG1-CA 3.47Å; V102-K145 HydrophobicContact CG2-CB 4.29Å; V102-K145 HydrophobicContact CG2-CD 3.7Å; A143-K145 PolarHBondContact O-N 3.43Å; K145-Y147 HydrophobicContact CB-CE2 3.92Å
146	K	88.4	Confident	90.2	Very high	96 Å²	96	45.2 Å²	45.2	42%	0.417	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.7	173.4	-177.2	-179.8	178.2	-177.5	0	109.3	V99 P100 V101 V102 V148	V99-K146 HydrophobicContact CG1-CB 4.47Å; P100-K146 PolarHBondContact O-N 2.89Å; V101-K146 CarbonylContact C-O 3.6Å; V101-K146 WeakPolarHBondContact CA-O 3.49Å; V101-K146 HydrophobicContact CG2-CB 4.35Å; V101-K146 HydrophobicContact CG2-CD 4.31Å; V102-K146 PolarHBondContact N-O 3.11Å; K146-V148 HydrophobicContact CG-CG1 4.35Å
147	Y	90.1	Very high	89.1	Confident	21 Å²	21	48 Å²	48	8%	0.082	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.2	175.4	-61	-85.3	0	0	0	110.6	V102 L104 K145 V155 I190 A206	V102-Y147 HydrophobicContact CB-CD1 3.77Å; V102-Y147 HydrophobicContact CB-CE1 3.92Å; V102-Y147 HydrophobicContact CG1-CD1 3.92Å; V102-Y147 HydrophobicContact CG1-CE1 3.95Å; V102-Y147 HydrophobicContact CG2-CD1 4.49Å; V102-Y147 HydrophobicContact CG2-CE1 4.2Å; V102-Y147 WeakPolarHBondContact O-CA 3.28Å; L104-Y147 HydrophobicContact CD1-CD1 4.39Å; L104-Y147 HydrophobicContact CD2-CD1 4.04Å; L104-Y147 HydrophobicContact CG-CD1 4.32Å; K145-Y147 HydrophobicContact CB-CE2 3.92Å; Y147-V155 PolarHBondContact O-N 3.5Å; Y147-I190 HydrophobicContact CD2-CD1 4.42Å; Y147-I190 HydrophobicContact CD2-CG1 4.3Å; Y147-I190 HydrophobicContact CE2-CD1 3.79Å; Y147-I190 HydrophobicContact CE2-CG1 3.76Å; Y147-A206 HydrophobicContact CD1-CB 3.84Å; Y147-A206 HydrophobicContact CD2-CB 4.07Å; Y147-A206 HydrophobicContact CE1-CB 4.14Å; Y147-A206 HydrophobicContact CE2-CB 4.37Å; Y147-A206 HydrophobicContact CG-CB 3.8Å
148	V	91.3	Very high	88	Confident	6 Å²	6	53 Å²	53	4%	0.036	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.7	173.7	-58.9	0	0	0	0	109.9	V101 V102 R103 L104 K146 V153	V101-V148 HydrophobicContact CG1-CG1 4.13Å; V101-V148 HydrophobicContact CG1-CG2 3.74Å; V102-V148 PolarHBondContact O-N 3.44Å; R103-V148 CarbonylContact C-O 3.56Å; R103-V148 WeakPolarHBondContact CA-O 3.48Å; R103-V148 HydrophobicContact CB-CG2 4.48Å; R103-V148 HydrophobicContact CG-CG2 3.89Å; L104-V148 PolarHBondContact N-O 3.24Å; K146-V148 HydrophobicContact CG-CG1 4.35Å; V148-V153 CarbonylContact C-O 3.6Å; V148-V153 VanDerWaalsContact CA-O 3.27Å; V148-V153 WeakPolarHBondContact CA-O 3.33Å
149	D	90.4	Very high	87.4	Confident	14 Å²	14	53 Å²	53	8%	0.075	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-178	170.5	65.3	19.7	0	0	0	112.6	F151 G152 V153 R199	D149-F151 PolarHBondContact O-N 2.92Å; D149-F151 WeakPolarHBondContact OD1-CA 3.45Å; D149-F151 WeakPolarHBondContact OD1-CB 3.44Å; D149-F151 PolarHBondContact OD1-N 2.77Å; D149-G152 PolarHBondContact O-N 3.12Å; D149-G152 PolarHBondContact OD1-N 3.48Å; D149-G152 VanDerWaalsContact OD1-N 3.11Å; D149-V153 PolarHBondContact N-O 2.87Å; D149-V153 WeakPolarHBondContact OD1-CB 3.47Å; D149-V153 PolarHBondContact OD1-N 2.64Å; D149-R199 IonicContact OD2-CZ 3.24Å; D149-R199 IonicContact OD2-NH1 3.05Å; D149-R199 PolarHBondContact OD2-NH1 3.07Å; D149-R199 IonicContact OD2-NH2 3.15Å; D149-R199 PolarHBondContact OD2-NH2 2.9Å
150	D	88.9	Confident	87	Confident	85 Å²	85	54.6 Å²	54.6	46%	0.455	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-25.3	177	-73.7	-42.8	0	0	0	114.3	P105 A106 G152	P105-D150 WeakPolarHBondContact CA-OD1 3.37Å; P105-D150 WeakPolarHBondContact CA-OD2 3.41Å; A106-D150 PolarHBondContact N-OD2 3.45Å; D150-G152 VanDerWaalsContact C-N 3.34Å
151	F	88.9	Confident	86.7	Confident	185 Å²	185	58.7 Å²	58.7	81%	0.811	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	1.2	177.7	-55.2	-74.2	0	0	0	112.7	D149 V153	D149-F151 PolarHBondContact O-N 2.92Å; D149-F151 WeakPolarHBondContact OD1-CA 3.45Å; D149-F151 WeakPolarHBondContact OD1-CB 3.44Å; D149-F151 PolarHBondContact OD1-N 2.77Å; F151-V153 VanDerWaalsContact C-N 3.28Å; F151-V153 HydrophobicContact CB-CG2 4.21Å; F151-V153 PolarHBondContact O-N 3.24Å
152	G	86.1	Confident	86.5	Confident	44 Å²	44	60.2 Å²	60.2	45%	0.454	33%	0.325	S	S	.	.	S	Bend	trans	78.1	8.8	-177.8	0	0	0	0	0	114.2	D149 D150	D149-G152 PolarHBondContact O-N 3.12Å; D149-G152 PolarHBondContact OD1-N 3.48Å; D149-G152 VanDerWaalsContact OD1-N 3.11Å; D150-G152 VanDerWaalsContact C-N 3.34Å
153	V	88.4	Confident	86.4	Confident	72 Å²	72	59.6 Å²	59.6	44%	0.436	32%	0.322	S	S	.	.			trans	-77.3	131.2	177.6	-175	0	0	0	0	108.5	V148 D149 F151	V148-V153 CarbonylContact C-O 3.6Å; V148-V153 VanDerWaalsContact CA-O 3.27Å; V148-V153 WeakPolarHBondContact CA-O 3.33Å; D149-V153 PolarHBondContact N-O 2.87Å; D149-V153 WeakPolarHBondContact OD1-CB 3.47Å; D149-V153 PolarHBondContact OD1-N 2.64Å; F151-V153 VanDerWaalsContact C-N 3.28Å; F151-V153 HydrophobicContact CB-CG2 4.21Å; F151-V153 PolarHBondContact O-N 3.24Å
154	P	86.1	Confident	86.6	Confident	54 Å²	54	59.1 Å²	59.1	35%	0.351	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-61.7	145.7	178.7	26.1	-34.4	0	0	0	112.3	R199	P154-R199 PolarHBondContact O-NH1 3.48Å
155	V	84.1	Confident	86.9	Confident	6 Å²	6	61 Å²	61	4%	0.036	32%	0.319	C	S	.	.	S	Bend	trans	-77.5	-39.6	179.8	172.3	0	0	0	0	111.9	L104 Y147 E202	L104-V155 HydrophobicContact CD1-CG2 3.76Å; Y147-V155 PolarHBondContact O-N 3.5Å; V155-E202 HydrophobicContact CB-CB 4.36Å; V155-E202 VanDerWaalsContact CG1-C 3.43Å; V155-E202 HydrophobicContact CG1-CB 3.75Å; V155-E202 HydrophobicContact CG2-CB 3.94Å
156	S	74.3	Confident	87.4	Confident	29 Å²	29	57 Å²	57	20%	0.203	30%	0.301	C	S	.	.	S	Bend	trans	-134.6	159.8	172.4	-172	0	0	0	0	108.6
157	N	66.9	Low	87.7	Confident	112 Å²	112	52.5 Å²	52.5	60%	0.599	28%	0.282	S	S	*	.			trans	-66.9	177.5	174.9	-70.1	-35.7	0	0	0	111.1	I159	N157-I159 PolarHBondContact O-N 2.85Å
158	T	72.4	Confident	88	Confident	104 Å²	104	53.3 Å²	53.3	64%	0.638	29%	0.289	S	S	*	.	S	Bend	trans	-52.1	135.9	167.3	50.1	0	0	0	0	109.9	V96 S160	V96-T158 HydrophobicContact CG1-CG2 4.04Å; T158-S160 PolarHBondContact O-N 2.88Å
159	I	85.2	Confident	88.3	Confident	36 Å²	36	53.2 Å²	53.2	19%	0.185	29%	0.289	C	S	.	.			trans	-44.6	131.1	176.2	-77.8	-173.5	0	0	0	110.8	L144 N157 Y163 N164 D191	L144-I159 HydrophobicContact CD1-CD1 3.35Å; L144-I159 HydrophobicContact CD1-CG1 4.29Å; N157-I159 PolarHBondContact O-N 2.85Å; I159-Y163 HydrophobicContact CD1-CD1 4.25Å; I159-Y163 HydrophobicContact CG1-CD1 4.4Å; I159-Y163 HydrophobicContact CG2-CD1 4.12Å; I159-N164 HydrophobicContact CG2-CB 3.87Å; I159-D191 HydrophobicContact CG1-CB 4.34Å
160	S	90.5	Very high	88.7	Confident	33 Å²	33	52.6 Å²	52.6	23%	0.231	29%	0.286	C	S	.	.			trans	-63.7	156.9	176.4	61.3	0	0	0	0	111.8	T158 E162 Y163 N164 D191	T158-S160 PolarHBondContact O-N 2.88Å; S160-E162 PolarHBondContact O-N 2.91Å; S160-Y163 PolarHBondContact O-N 3.48Å; S160-Y163 VanDerWaalsContact OG-CB 3.26Å; S160-Y163 WeakPolarHBondContact OG-CB 3.21Å; S160-Y163 PolarHBondContact OG-N 3.01Å; S160-N164 PolarHBondContact O-N 3.19Å; S160-D191 WeakPolarHBondContact CB-OD2 3.17Å; S160-D191 PolarHBondContact N-OD2 2.92Å; S160-D191 PolarHBondContact OG-OD2 3.08Å
161	R	90.5	Very high	89	Confident	130 Å²	130	49.9 Å²	49.9	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-54.8	-47.1	172.9	171	-176.9	62.9	170.7	2.3	109.7	Y163 N164 E165 E272	R161-Y163 PolarHBondContact O-N 3.48Å; R161-N164 PolarHBondContact O-N 3.22Å; R161-E165 WeakPolarHBondContact CD-OE1 3.49Å; R161-E165 HydrophobicContact CG-CG 4.48Å; R161-E165 WeakPolarHBondContact CG-OE1 3.29Å; R161-E165 WeakPolarHBondContact O-CG 3.21Å; R161-E165 PolarHBondContact O-N 3.14Å; R161-E272 IonicContact NH1-OE1 3.38Å; R161-E272 IonicContact NH2-OE1 2.7Å
162	E	93.1	Very high	89.4	Confident	43 Å²	43	46.3 Å²	46.3	20%	0.201	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-42.9	-177.2	-64.9	67	-150	0	0	111.3	S160 E165 L166 L193 Y266 I436	S160-E162 PolarHBondContact O-N 2.91Å; E162-E165 PolarHBondContact O-N 2.79Å; E162-L166 PolarHBondContact O-N 2.83Å; E162-L193 HydrophobicContact CB-CD1 3.94Å; E162-Y266 HydrophobicContact CG-CD1 4.05Å; E162-Y266 HydrophobicContact CG-CE1 4.02Å; E162-I436 HydrophobicContact CB-CD1 4.13Å; E162-I436 HydrophobicContact CB-CG1 4.22Å; E162-I436 HydrophobicContact CG-CD1 4.49Å; E162-I436 WeakPolarHBondContact O-CG2 3.49Å
163	Y	94	Very high	89.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-72.8	-31.9	176	-165.8	-114.8	0	0	0	112.9	I159 S160 R161 L166 L167 P188 I190 D191 L193	I159-Y163 HydrophobicContact CD1-CD1 4.25Å; I159-Y163 HydrophobicContact CG1-CD1 4.4Å; I159-Y163 HydrophobicContact CG2-CD1 4.12Å; S160-Y163 PolarHBondContact O-N 3.48Å; S160-Y163 VanDerWaalsContact OG-CB 3.26Å; S160-Y163 WeakPolarHBondContact OG-CB 3.21Å; S160-Y163 PolarHBondContact OG-N 3.01Å; R161-Y163 PolarHBondContact O-N 3.48Å; Y163-L166 HydrophobicContact CD2-CB 4.47Å; Y163-L166 HydrophobicContact CD2-CD2 4.41Å; Y163-L166 HydrophobicContact CE2-CD2 4.23Å; Y163-L166 WeakPolarHBondContact O-CB 3.42Å; Y163-L166 PolarHBondContact O-N 3.48Å; Y163-L167 HydrophobicContact CD1-CD1 4.07Å; Y163-L167 HydrophobicContact CD1-CG 4.35Å; Y163-L167 HydrophobicContact CE1-CD1 3.81Å; Y163-L167 HydrophobicContact CE1-CD2 4.38Å; Y163-L167 HydrophobicContact CE1-CG 4.16Å; Y163-L167 WeakPolarHBondContact O-CG 3.39Å; Y163-L167 PolarHBondContact O-N 2.82Å; Y163-P188 PolarHBondContact OH-O 3.39Å; Y163-I190 PolarHBondContact OH-O 3.3Å; Y163-D191 VanDerWaalsContact CB-CG 3.47Å; Y163-D191 WeakPolarHBondContact CB-OD2 3.05Å; Y163-D191 HydrophobicContact CD1-CB 3.57Å; Y163-D191 HydrophobicContact CE1-CB 4.06Å; Y163-D191 HydrophobicContact CG-CB 3.92Å; Y163-L193 HydrophobicContact CD2-CD1 3.99Å; Y163-L193 HydrophobicContact CD2-CD2 4.26Å; Y163-L193 HydrophobicContact CD2-CG 3.72Å; Y163-L193 HydrophobicContact CG-CD1 4.34Å; Y163-L193 HydrophobicContact CG-CG 4.36Å
164	N	93.3	Very high	90.2	Very high	55 Å²	55	46.3 Å²	46.3	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-66.2	-42.4	171.5	-171.4	80	0	0	0	111.5	I159 S160 R161 L166 L167 T168	I159-N164 HydrophobicContact CG2-CB 3.87Å; S160-N164 PolarHBondContact O-N 3.19Å; R161-N164 PolarHBondContact O-N 3.22Å; N164-L166 VanDerWaalsContact C-N 3.27Å; N164-L166 PolarHBondContact O-N 3.05Å; N164-L167 PolarHBondContact O-N 2.91Å; N164-T168 WeakPolarHBondContact O-CB 3.26Å; N164-T168 PolarHBondContact O-N 3.2Å; N164-T168 PolarHBondContact O-OG1 2.71Å
165	E	94.9	Very high	90.7	Very high	71 Å²	71	44.1 Å²	44.1	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-58.8	-38.4	172.3	-75.2	171.4	-165.5	0	0	111.9	R161 E162 A169 I436	R161-E165 WeakPolarHBondContact CD-OE1 3.49Å; R161-E165 HydrophobicContact CG-CG 4.48Å; R161-E165 WeakPolarHBondContact CG-OE1 3.29Å; R161-E165 WeakPolarHBondContact O-CG 3.21Å; R161-E165 PolarHBondContact O-N 3.14Å; E162-E165 PolarHBondContact O-N 2.79Å; E165-A169 VanDerWaalsContact O-CB 3.23Å; E165-A169 WeakPolarHBondContact O-CB 3.07Å; E165-A169 PolarHBondContact O-N 2.71Å; E165-I436 HydrophobicContact CB-CB 4.28Å; E165-I436 HydrophobicContact CB-CG2 4.24Å
166	L	96.9	Very high	91.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-50.5	174.4	-171.8	146.5	0	0	0	111.9	E162 Y163 N164 T168 A169 I170 L193 F222 I436 A440	E162-L166 PolarHBondContact O-N 2.83Å; Y163-L166 HydrophobicContact CD2-CB 4.47Å; Y163-L166 HydrophobicContact CD2-CD2 4.41Å; Y163-L166 HydrophobicContact CE2-CD2 4.23Å; Y163-L166 WeakPolarHBondContact O-CB 3.42Å; Y163-L166 PolarHBondContact O-N 3.48Å; N164-L166 VanDerWaalsContact C-N 3.27Å; N164-L166 PolarHBondContact O-N 3.05Å; L166-T168 VanDerWaalsContact C-N 3.34Å; L166-T168 PolarHBondContact O-N 3.45Å; L166-A169 PolarHBondContact O-N 3.39Å; L166-I170 HydrophobicContact CD2-CD1 3.73Å; L166-I170 WeakPolarHBondContact O-CG1 3.38Å; L166-I170 PolarHBondContact O-N 3.48Å; L166-I170 VanDerWaalsContact O-N 3.1Å; L166-L193 HydrophobicContact CD1-CD2 4.34Å; L166-F222 HydrophobicContact CD1-CB 3.86Å; L166-F222 HydrophobicContact CD1-CD1 3.66Å; L166-F222 HydrophobicContact CD1-CD2 4.05Å; L166-F222 HydrophobicContact CD1-CE1 4.13Å; L166-F222 HydrophobicContact CD1-CE2 4.49Å; L166-F222 HydrophobicContact CD1-CG 3.59Å; L166-F222 HydrophobicContact CD2-CD2 3.83Å; L166-F222 HydrophobicContact CD2-CE2 3.97Å; L166-F222 HydrophobicContact CD2-CG 4.25Å; L166-F222 HydrophobicContact CD2-CZ 4.49Å; L166-I436 HydrophobicContact CB-CG2 3.54Å; L166-I436 HydrophobicContact CD1-CG2 4.33Å; L166-I436 HydrophobicContact CG-CG2 4.24Å; L166-A440 HydrophobicContact CG-CB 4.16Å
167	L	96	Very high	92.4	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-37.9	-179.9	-64.2	-179	0	0	0	111.8	I141 Y163 N164 I170 S171 V187	I141-L167 WeakPolarHBondContact CD1-O 3.49Å; I141-L167 HydrophobicContact CG2-CD2 3.96Å; Y163-L167 HydrophobicContact CD1-CD1 4.07Å; Y163-L167 HydrophobicContact CD1-CG 4.35Å; Y163-L167 HydrophobicContact CE1-CD1 3.81Å; Y163-L167 HydrophobicContact CE1-CD2 4.38Å; Y163-L167 HydrophobicContact CE1-CG 4.16Å; Y163-L167 WeakPolarHBondContact O-CG 3.39Å; Y163-L167 PolarHBondContact O-N 2.82Å; N164-L167 PolarHBondContact O-N 2.91Å; L167-I170 PolarHBondContact O-N 3.23Å; L167-S171 PolarHBondContact O-N 3.08Å; L167-S171 PolarHBondContact O-OG 3.41Å; L167-V187 HydrophobicContact CD2-CG1 3.72Å
168	T	95.9	Very high	93.7	Very high	38 Å²	38	47.3 Å²	47.3	23%	0.233	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-43.8	173.9	-54.7	0	0	0	0	111.5	N164 L166 I170 S171 D172	N164-T168 WeakPolarHBondContact O-CB 3.26Å; N164-T168 PolarHBondContact O-N 3.2Å; N164-T168 PolarHBondContact O-OG1 2.71Å; L166-T168 VanDerWaalsContact C-N 3.34Å; L166-T168 PolarHBondContact O-N 3.45Å; T168-I170 PolarHBondContact O-N 3.06Å; T168-S171 WeakPolarHBondContact CA-OG 3.32Å; T168-S171 PolarHBondContact O-N 2.97Å; T168-S171 VanDerWaalsContact O-N 3.15Å; T168-S171 PolarHBondContact O-OG 2.95Å; T168-D172 WeakPolarHBondContact O-CB 3.24Å; T168-D172 PolarHBondContact O-N 3.15Å
169	A	97.5	Very high	94.7	Very high	5 Å²	5	44.4 Å²	44.4	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-33.5	176.2	0	0	0	0	0	112.9	E165 L166 S173 K437 A440	E165-A169 VanDerWaalsContact O-CB 3.23Å; E165-A169 WeakPolarHBondContact O-CB 3.07Å; E165-A169 PolarHBondContact O-N 2.71Å; L166-A169 PolarHBondContact O-N 3.39Å; A169-S173 WeakPolarHBondContact O-CB 3.49Å; A169-K437 HydrophobicContact CB-CB 3.78Å; A169-K437 HydrophobicContact CB-CD 4.49Å; A169-K437 HydrophobicContact CB-CG 3.82Å; A169-A440 HydrophobicContact CB-CB 4.4Å
170	I	97.8	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-74.3	-46.8	173.7	-61.9	176.1	0	0	0	110.6	V139 I141 L166 L167 T168 D172 S173 V187 F222 A440 L444	V139-I170 HydrophobicContact CB-CG2 4.18Å; V139-I170 HydrophobicContact CG1-CG2 3.81Å; I141-I170 HydrophobicContact CD1-CB 3.98Å; I141-I170 HydrophobicContact CD1-CG2 3.85Å; I141-I170 HydrophobicContact CG1-CG2 4.08Å; L166-I170 HydrophobicContact CD2-CD1 3.73Å; L166-I170 WeakPolarHBondContact O-CG1 3.38Å; L166-I170 PolarHBondContact O-N 3.48Å; L166-I170 VanDerWaalsContact O-N 3.1Å; L167-I170 PolarHBondContact O-N 3.23Å; T168-I170 PolarHBondContact O-N 3.06Å; I170-D172 VanDerWaalsContact C-N 3.3Å; I170-D172 PolarHBondContact O-N 3.37Å; I170-S173 WeakPolarHBondContact O-CB 3.42Å; I170-S173 PolarHBondContact O-N 2.94Å; I170-S173 PolarHBondContact O-OG 3Å; I170-V187 HydrophobicContact CD1-CG1 4.4Å; I170-V187 HydrophobicContact CD1-CG2 4.24Å; I170-F222 HydrophobicContact CD1-CE2 4.15Å; I170-F222 HydrophobicContact CD1-CZ 4.41Å; I170-A440 HydrophobicContact CG1-CB 4.43Å; I170-L444 HydrophobicContact CD1-CD1 4.42Å; I170-L444 HydrophobicContact CG1-CD1 3.97Å; I170-L444 HydrophobicContact CG2-CD1 4.16Å
171	S	96.8	Very high	95.2	Very high	28 Å²	28	48.5 Å²	48.5	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-36.7	-179	60.3	0	0	0	0	113.4	L167 T168 S173 Y176	L167-S171 PolarHBondContact O-N 3.08Å; L167-S171 PolarHBondContact O-OG 3.41Å; T168-S171 WeakPolarHBondContact CA-OG 3.32Å; T168-S171 PolarHBondContact O-N 2.97Å; T168-S171 VanDerWaalsContact O-N 3.15Å; T168-S171 PolarHBondContact O-OG 2.95Å; S171-S173 PolarHBondContact O-N 3.31Å; S171-Y176 WeakPolarHBondContact O-CB 3.33Å
172	D	96.9	Very high	95.4	Very high	110 Å²	110	47.7 Å²	47.7	59%	0.588	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	1.4	-177.7	-61.4	3.5	0	0	0	112.6	T168 I170	T168-D172 WeakPolarHBondContact O-CB 3.24Å; T168-D172 PolarHBondContact O-N 3.15Å; I170-D172 VanDerWaalsContact C-N 3.3Å; I170-D172 PolarHBondContact O-N 3.37Å
173	S	96.5	Very high	95.6	Very high	22 Å²	22	45.8 Å²	45.8	15%	0.154	23%	0.234	C	C	.	.	S	Bend	trans	-103.3	157.4	-174.6	79.5	0	0	0	0	113.1	A169 I170 S171 Y175 Y176	A169-S173 WeakPolarHBondContact O-CB 3.49Å; I170-S173 WeakPolarHBondContact O-CB 3.42Å; I170-S173 PolarHBondContact O-N 2.94Å; I170-S173 PolarHBondContact O-OG 3Å; S171-S173 PolarHBondContact O-N 3.31Å; S173-Y175 PolarHBondContact O-N 3.29Å; S173-Y175 WeakPolarHBondContact OG-CB 3.16Å; S173-Y175 PolarHBondContact OG-N 3.42Å; S173-Y176 PolarHBondContact O-N 3.26Å
174	D	94.4	Very high	95.7	Very high	94 Å²	94	45.8 Å²	45.8	50%	0.503	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-18.6	170.2	-78.4	-18.2	0	0	0	113.9	K136 K138	K136-D174 HydrophobicContact CD-CB 3.73Å; K136-D174 IonicContact NZ-OD2 3.33Å; K136-D174 PolarHBondContact NZ-OD2 3.14Å; K138-D174 PolarHBondContact NZ-O 3.09Å
175	Y	97.1	Very high	96	Very high	9 Å²	9	43.2 Å²	43.2	4%	0.035	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-21.6	178.1	-63.4	-70.2	0	0	0	113	K136 I137 K138 V139 S173 L441 L444 Q445 N448	K136-Y175 HydrophobicContact CB-CE1 4.39Å; K136-Y175 HydrophobicContact CD-CE1 4.45Å; K136-Y175 HydrophobicContact CG-CE1 4.45Å; I137-Y175 HydrophobicContact CG1-CD1 3.68Å; I137-Y175 HydrophobicContact CG1-CE1 3.93Å; I137-Y175 WeakPolarHBondContact O-CD1 3.28Å; K138-Y175 CarbonylContact C-O 3.49Å; K138-Y175 VanDerWaalsContact CA-O 3.28Å; K138-Y175 WeakPolarHBondContact CA-O 3.42Å; K138-Y175 WeakPolarHBondContact CD-O 3.42Å; V139-Y175 PolarHBondContact N-O 3.25Å; S173-Y175 PolarHBondContact O-N 3.29Å; S173-Y175 WeakPolarHBondContact OG-CB 3.16Å; S173-Y175 PolarHBondContact OG-N 3.42Å; Y175-L441 HydrophobicContact CD2-CD2 4.35Å; Y175-L444 HydrophobicContact CD2-CB 3.93Å; Y175-L444 HydrophobicContact CD2-CD1 3.81Å; Y175-L444 HydrophobicContact CE2-CB 3.9Å; Y175-L444 HydrophobicContact CG-CB 4.26Å; Y175-L444 HydrophobicContact CG-CD1 3.98Å; Y175-Q445 WeakPolarHBondContact OH-CA 3.04Å; Y175-Q445 PolarHBondContact OH-OE1 2.94Å; Y175-N448 HydrophobicContact CE1-CB 4.06Å
176	Y	97.4	Very high	96.1	Very high	85 Å²	85	40.1 Å²	40.1	33%	0.333	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	147.8	-174.2	-177.8	-119.3	0	0	0	113.6	K138 I141 S171 S173	K138-Y176 WeakPolarHBondContact CD-O 3.24Å; K138-Y176 PolarHBondContact NZ-O 3.11Å; I141-Y176 HydrophobicContact CB-CE2 4.45Å; I141-Y176 HydrophobicContact CD1-CD2 4.18Å; I141-Y176 HydrophobicContact CD1-CE2 4.26Å; I141-Y176 HydrophobicContact CG1-CD2 4.31Å; I141-Y176 HydrophobicContact CG1-CE2 4.28Å; S171-Y176 WeakPolarHBondContact O-CB 3.33Å; S173-Y176 PolarHBondContact O-N 3.26Å
177	T	95.9	Very high	96.2	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	141.1	164.4	-169.2	0	0	0	0	110.3	K138 V139 D179 A183	K138-T177 HydrophobicContact CB-CG2 3.84Å; V139-T177 PolarHBondContact O-N 2.98Å; V139-T177 VanDerWaalsContact O-N 3.07Å; T177-D179 WeakPolarHBondContact CG2-O 3.21Å; T177-D179 PolarHBondContact OG1-N 3.49Å; T177-D179 PolarHBondContact OG1-O 3.35Å; T177-A183 HydrophobicContact CG2-CB 3.92Å
178	D	93.9	Very high	96.2	Very high	119 Å²	119	40 Å²	40	64%	0.636	21%	0.206	S	C	*	.	S	Bend	trans	-85.2	-32.9	169.9	62.9	-28.6	0	0	0	111.8	Y140 I180	Y140-D178 WeakPolarHBondContact CD2-O 3.48Å; Y140-D178 VanDerWaalsContact CE2-O 3.24Å; Y140-D178 WeakPolarHBondContact CE2-O 3.36Å; D178-I180 PolarHBondContact O-N 3.5Å
179	D	94.1	Very high	96	Very high	43 Å²	43	38.6 Å²	38.6	23%	0.23	20%	0.197	C	C	.	.			trans	-73.6	108.8	173.4	-175	-6.1	0	0	0	111.4	T177 N181 R182	T177-D179 WeakPolarHBondContact CG2-O 3.21Å; T177-D179 PolarHBondContact OG1-N 3.49Å; T177-D179 PolarHBondContact OG1-O 3.35Å; D179-N181 PolarHBondContact O-N 2.57Å; D179-N181 WeakPolarHBondContact OD1-CB 3.4Å; D179-N181 PolarHBondContact OD1-N 3.47Å; D179-N181 PolarHBondContact OD1-ND2 3.35Å; D179-R182 HydrophobicContact CB-CB 4.38Å; D179-R182 HydrophobicContact CB-CG 4.04Å; D179-R182 PolarHBondContact O-N 2.94Å; D179-R182 VanDerWaalsContact O-N 3.15Å; D179-R182 WeakPolarHBondContact OD2-CG 3.45Å; D179-R182 IonicContact OD2-CZ 3.42Å; D179-R182 IonicContact OD2-NE 3.34Å; D179-R182 PolarHBondContact OD2-NE 3.08Å; D179-R182 IonicContact OD2-NH2 3.06Å
180	I	93.9	Very high	95.7	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.185	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.5	178	-161.6	171.4	0	0	0	113.7	Y140 D178 F186 R212	Y140-I180 HydrophobicContact CD1-CD1 4.18Å; Y140-I180 HydrophobicContact CD1-CG1 3.94Å; Y140-I180 HydrophobicContact CD2-CB 4.05Å; Y140-I180 HydrophobicContact CD2-CG1 4.33Å; Y140-I180 HydrophobicContact CE1-CD1 3.81Å; Y140-I180 HydrophobicContact CE1-CG1 4.01Å; Y140-I180 HydrophobicContact CE2-CB 4.05Å; Y140-I180 HydrophobicContact CE2-CG1 4.42Å; Y140-I180 HydrophobicContact CG-CB 4.3Å; Y140-I180 HydrophobicContact CG-CG1 4.09Å; D178-I180 PolarHBondContact O-N 3.5Å; I180-F186 HydrophobicContact CG1-CD1 4.37Å; I180-F186 HydrophobicContact CG1-CE1 3.77Å; I180-R212 HydrophobicContact CD1-CG 3.7Å; I180-R212 HydrophobicContact CG1-CG 4.26Å
181	N	93.3	Very high	95.5	Very high	119 Å²	119	39.4 Å²	39.4	64%	0.636	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.3	-179.7	-48.6	-74	0	0	0	112.8	D179	D179-N181 PolarHBondContact O-N 2.57Å; D179-N181 WeakPolarHBondContact OD1-CB 3.4Å; D179-N181 PolarHBondContact OD1-N 3.47Å; D179-N181 PolarHBondContact OD1-ND2 3.35Å
182	R	94.4	Very high	95.4	Very high	113 Å²	113	38.1 Å²	38.1	43%	0.426	19%	0.192	S	C	.	.	S	Bend	trans	-87.2	-9.5	171.9	-65	176.2	-154.5	-170.1	0.1	112.5	F131 K138 D179 C184	F131-R182 HydrophobicContact CB-CB 4.44Å; F131-R182 HydrophobicContact CD1-CB 3.75Å; F131-R182 HydrophobicContact CD1-CG 4.03Å; F131-R182 HydrophobicContact CD2-CG 4.43Å; F131-R182 HydrophobicContact CE1-CB 4.23Å; F131-R182 HydrophobicContact CE1-CG 4.25Å; F131-R182 HydrophobicContact CG-CB 4.12Å; F131-R182 HydrophobicContact CG-CG 4.12Å; K138-R182 WeakPolarHBondContact CB-O 3.38Å; D179-R182 HydrophobicContact CB-CB 4.38Å; D179-R182 HydrophobicContact CB-CG 4.04Å; D179-R182 PolarHBondContact O-N 2.94Å; D179-R182 VanDerWaalsContact O-N 3.15Å; D179-R182 WeakPolarHBondContact OD2-CG 3.45Å; D179-R182 IonicContact OD2-CZ 3.42Å; D179-R182 IonicContact OD2-NE 3.34Å; D179-R182 PolarHBondContact OD2-NE 3.08Å; D179-R182 IonicContact OD2-NH2 3.06Å; R182-C184 PolarHBondContact O-N 2.98Å
183	A	96.4	Very high	95.3	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	17%	0.166	C	C	.	.			trans	-78.4	121	-170.2	0	0	0	0	0	112.6	T177 F186	T177-A183 HydrophobicContact CG2-CB 3.92Å; A183-F186 HydrophobicContact CB-CD1 4.26Å; A183-F186 HydrophobicContact CB-CE1 3.65Å; A183-F186 HydrophobicContact CB-CZ 3.98Å
184	C	97.1	Very high	95.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-74.2	-41.3	166.6	173.3	0	0	0	0	111	C129 I137 K138 R182 N218	C129-C184 HydrophobicContact CB-CB 3.67Å; C129-C184 WeakPolarHBondContact CB-SG 3.43Å; C129-C184 WeakPolarHBondContact SG-CB 3.25Å; C129-C184 CovalentContact SG-SG 2.03Å; C129-C184 PolarHBondContact SG-SG 2.85Å; I137-C184 HydrophobicContact CB-CB 3.94Å; I137-C184 HydrophobicContact CG2-CB 4.29Å; I137-C184 VanDerWaalsContact CG2-SG 3.5Å; K138-C184 WeakPolarHBondContact O-CA 3.27Å; K138-C184 WeakPolarHBondContact O-CB 3.28Å; K138-C184 PolarHBondContact O-N 2.86Å; R182-C184 PolarHBondContact O-N 2.98Å; C184-N218 VanDerWaalsContact O-CB 3.28Å; C184-N218 WeakPolarHBondContact O-CB 3.4Å; C184-N218 PolarHBondContact O-ND2 3.26Å
185	L	98.1	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.1	179.9	-64.3	-178.5	0	0	0	112.4	F124 I137 K138 V139 Y140 N218 L220 L444 I447	F124-L185 HydrophobicContact CE2-CD2 3.51Å; F124-L185 HydrophobicContact CZ-CD2 3.73Å; I137-L185 HydrophobicContact CD1-CD1 3.62Å; I137-L185 HydrophobicContact CD1-CG 4.18Å; K138-L185 PolarHBondContact O-N 3.35Å; V139-L185 WeakPolarHBondContact CA-O 3.14Å; V139-L185 HydrophobicContact CG1-CB 4.4Å; V139-L185 HydrophobicContact CG2-CB 4.18Å; V139-L185 HydrophobicContact CG2-CD1 4.27Å; Y140-L185 PolarHBondContact N-O 2.98Å; L185-N218 WeakPolarHBondContact CA-O 3.19Å; L185-N218 HydrophobicContact CD2-CB 4.48Å; L185-L220 HydrophobicContact CD1-CD2 4.4Å; L185-L444 HydrophobicContact CD1-CD2 3.96Å; L185-I447 HydrophobicContact CD1-CD1 4.25Å; L185-I447 HydrophobicContact CD1-CG2 3.98Å; L185-I447 HydrophobicContact CD2-CG2 4.38Å
186	F	98.4	Very high	94.8	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.8	175.6	-53.9	-83.2	0	0	0	110.9	Y140 Y142 I180 A183 N218 H219 L220	Y140-F186 HydrophobicContact CD1-CD1 4.09Å; Y140-F186 HydrophobicContact CG-CD1 4.49Å; Y140-F186 WeakPolarHBondContact O-CA 3.26Å; Y142-F186 HydrophobicContact CE2-CB 3.83Å; I180-F186 HydrophobicContact CG1-CD1 4.37Å; I180-F186 HydrophobicContact CG1-CE1 3.77Å; A183-F186 HydrophobicContact CB-CD1 4.26Å; A183-F186 HydrophobicContact CB-CE1 3.65Å; A183-F186 HydrophobicContact CB-CZ 3.98Å; F186-N218 HydrophobicContact CD2-CB 4.24Å; F186-N218 HydrophobicContact CE2-CB 4.37Å; F186-N218 PolarHBondContact N-O 2.82Å; F186-H219 AromaticContact CD2-CE1 3.78Å; F186-H219 AromaticContact CG-CE1 3.91Å; F186-H219 WeakPolarHBondContact O-CA 3.29Å; F186-L220 PolarHBondContact O-N 2.99Å
187	V	98.3	Very high	94.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.9	177	178	0	0	0	0	108.8	V139 Y140 I141 Y142 L167 I170 L220	V139-V187 HydrophobicContact CG1-CB 4.44Å; V139-V187 HydrophobicContact CG1-CG2 3.64Å; Y140-V187 PolarHBondContact O-N 3.47Å; I141-V187 WeakPolarHBondContact CA-O 3.45Å; Y142-V187 PolarHBondContact N-O 2.94Å; L167-V187 HydrophobicContact CD2-CG1 3.72Å; I170-V187 HydrophobicContact CD1-CG1 4.4Å; I170-V187 HydrophobicContact CD1-CG2 4.24Å; V187-L220 HydrophobicContact CG2-CB 4.32Å
188	P	95.4	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.			trans	-57.9	153.2	173.5	-25.9	36.8	0	0	0	112.2	Y163 I190 L207 L210 L221	Y163-P188 PolarHBondContact OH-O 3.39Å; P188-I190 HydrophobicContact CB-CB 4.13Å; P188-I190 HydrophobicContact CB-CD1 4.35Å; P188-I190 HydrophobicContact CB-CG1 4.26Å; P188-I190 PolarHBondContact O-N 3.02Å; P188-L207 HydrophobicContact CB-CD2 4.37Å; P188-L207 HydrophobicContact CG-CD2 3.98Å; P188-L210 HydrophobicContact CB-CD1 3.96Å; P188-L210 HydrophobicContact CG-CD1 3.73Å; P188-L221 HydrophobicContact CG-CD2 3.75Å
189	S	91.8	Very high	93.9	Very high	7 Å²	7	31.5 Å²	31.5	5%	0.049	16%	0.157	C	C	.	.	S	Bend	trans	-92.1	49.5	159.9	-75.5	0	0	0	0	110.1	R94 Y142	R94-S189 PolarHBondContact NH1-OG 3.03Å; Y142-S189 VanDerWaalsContact O-CB 3.31Å; Y142-S189 WeakPolarHBondContact O-CB 3.16Å; Y142-S189 PolarHBondContact O-OG 3.08Å
190	I	92.5	Very high	93.9	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.056	16%	0.163	C	C	.	.			trans	-122.5	107.4	178.9	-62.6	168.6	0	0	0	106.9	Y147 Y163 P188 V192 T203 A206 L207 L210	Y147-I190 HydrophobicContact CD2-CD1 4.42Å; Y147-I190 HydrophobicContact CD2-CG1 4.3Å; Y147-I190 HydrophobicContact CE2-CD1 3.79Å; Y147-I190 HydrophobicContact CE2-CG1 3.76Å; Y163-I190 PolarHBondContact OH-O 3.3Å; P188-I190 HydrophobicContact CB-CB 4.13Å; P188-I190 HydrophobicContact CB-CD1 4.35Å; P188-I190 HydrophobicContact CB-CG1 4.26Å; P188-I190 PolarHBondContact O-N 3.02Å; I190-V192 HydrophobicContact CG2-CG1 4.13Å; I190-V192 PolarHBondContact O-N 2.95Å; I190-V192 VanDerWaalsContact O-N 3.16Å; I190-T203 HydrophobicContact CG2-CG2 4.11Å; I190-A206 HydrophobicContact CD1-CB 3.89Å; I190-L207 HydrophobicContact CD1-CD2 4.09Å; I190-L210 HydrophobicContact CD1-CD1 4.47Å; I190-L210 HydrophobicContact CD1-CD2 4.41Å
191	D	93.8	Very high	93.9	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.064	17%	0.174	C	C	.	.			trans	-66.2	114.4	-178.6	-170.2	-13.9	0	0	0	110.5	I159 S160 Y163 L193 L198	I159-D191 HydrophobicContact CG1-CB 4.34Å; S160-D191 WeakPolarHBondContact CB-OD2 3.17Å; S160-D191 PolarHBondContact N-OD2 2.92Å; S160-D191 PolarHBondContact OG-OD2 3.08Å; Y163-D191 VanDerWaalsContact CB-CG 3.47Å; Y163-D191 WeakPolarHBondContact CB-OD2 3.05Å; Y163-D191 HydrophobicContact CD1-CB 3.57Å; Y163-D191 HydrophobicContact CE1-CB 4.06Å; Y163-D191 HydrophobicContact CG-CB 3.92Å; D191-L193 WeakPolarHBondContact OD1-CB 3.28Å; D191-L193 PolarHBondContact OD1-N 2.95Å; D191-L198 VanDerWaalsContact O-CD2 3.24Å; D191-L198 WeakPolarHBondContact O-CD2 3.26Å
192	V	94.9	Very high	93.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	15%	0.153	C	C	.	.			trans	-125	19.6	174	-58.5	0	0	0	0	112	I190 N194 L198 T203 L221 F222 N223 L236	I190-V192 HydrophobicContact CG2-CG1 4.13Å; I190-V192 PolarHBondContact O-N 2.95Å; I190-V192 VanDerWaalsContact O-N 3.16Å; V192-N194 VanDerWaalsContact C-N 3.25Å; V192-N194 PolarHBondContact O-N 2.68Å; V192-L198 HydrophobicContact CB-CD1 3.93Å; V192-L198 HydrophobicContact CG1-CD1 3.95Å; V192-L198 HydrophobicContact CG1-CD2 4.49Å; V192-T203 HydrophobicContact CG1-CG2 3.84Å; V192-L221 HydrophobicContact CG2-CB 4.35Å; V192-F222 CarbonylContact C-O 3.52Å; V192-F222 WeakPolarHBondContact CG2-O 3.34Å; V192-N223 WeakPolarHBondContact O-CB 3.2Å; V192-N223 PolarHBondContact O-ND2 3.19Å; V192-L236 HydrophobicContact CB-CD2 4.39Å; V192-L236 HydrophobicContact CG2-CD2 4.22Å
193	L	94.9	Very high	93.9	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.052	13%	0.132	C	C	.	.	S	Bend	trans	-59.8	-36.3	-178.9	-75.9	-177.4	0	0	0	112.6	E162 Y163 L166 D191 F222 N223 M224 L225	E162-L193 HydrophobicContact CB-CD1 3.94Å; Y163-L193 HydrophobicContact CD2-CD1 3.99Å; Y163-L193 HydrophobicContact CD2-CD2 4.26Å; Y163-L193 HydrophobicContact CD2-CG 3.72Å; Y163-L193 HydrophobicContact CG-CD1 4.34Å; Y163-L193 HydrophobicContact CG-CG 4.36Å; L166-L193 HydrophobicContact CD1-CD2 4.34Å; D191-L193 WeakPolarHBondContact OD1-CB 3.28Å; D191-L193 PolarHBondContact OD1-N 2.95Å; L193-F222 HydrophobicContact CD2-CB 3.9Å; L193-N223 PolarHBondContact O-ND2 3.27Å; L193-M224 HydrophobicContact CD2-CG 4.19Å; L193-M224 HydrophobicContact CD2-SD 4.3Å; L193-M224 PolarHBondContact O-N 2.66Å; L193-L225 PolarHBondContact O-N 2.95Å
194	N	93.6	Very high	93.9	Very high	47 Å²	47	26.3 Å²	26.3	25%	0.251	13%	0.131	S	C	.	.	B	Isolated β-bridge	trans	-126.1	113.6	-178.4	-178.1	1	0	0	0	111	V192 N196 T197 L225	V192-N194 VanDerWaalsContact C-N 3.25Å; V192-N194 PolarHBondContact O-N 2.68Å; N194-N196 PolarHBondContact O-N 3.22Å; N194-N196 WeakPolarHBondContact OD1-CB 3.43Å; N194-N196 PolarHBondContact OD1-N 3.19Å; N194-N196 VanDerWaalsContact OD1-N 3.12Å; N194-T197 PolarHBondContact O-N 3.2Å; N194-T197 PolarHBondContact O-OG1 3.07Å; N194-L225 HydrophobicContact CB-CB 4.47Å; N194-L225 HydrophobicContact CB-CD1 4.28Å
195	Q	92.1	Very high	93.8	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.047	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-66.2	-26.8	-176.7	-164.4	-178.1	-68.9	0	0	113.3	T197 L198 L225 G227 L236 D237	Q195-T197 PolarHBondContact O-N 3.46Å; Q195-L198 HydrophobicContact CG-CD1 4.39Å; Q195-L198 PolarHBondContact O-N 3.39Å; Q195-L225 WeakPolarHBondContact CB-O 3.45Å; Q195-L225 PolarHBondContact N-O 3.27Å; Q195-G227 VanDerWaalsContact NE2-C 3.27Å; Q195-G227 VanDerWaalsContact NE2-CA 3.31Å; Q195-L236 HydrophobicContact CB-CD1 4.5Å; Q195-L236 HydrophobicContact CG-CD1 4.25Å; Q195-D237 PolarHBondContact NE2-OD2 2.8Å
196	N	90.3	Very high	93.6	Very high	90 Å²	90	26.5 Å²	26.5	48%	0.481	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-61.3	-18.2	-179.4	-76.1	-2.2	0	0	0	113.6	N194 R358	N194-N196 PolarHBondContact O-N 3.22Å; N194-N196 WeakPolarHBondContact OD1-CB 3.43Å; N194-N196 PolarHBondContact OD1-N 3.19Å; N194-N196 VanDerWaalsContact OD1-N 3.12Å; N196-R358 PolarHBondContact OD1-NH2 3.31Å
197	T	87.3	Confident	93.5	Very high	62 Å²	62	26.2 Å²	26.2	38%	0.38	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-99.3	4.5	179	57.2	0	0	0	0	113.7	N194 Q195	N194-T197 PolarHBondContact O-N 3.2Å; N194-T197 PolarHBondContact O-OG1 3.07Å; Q195-T197 PolarHBondContact O-N 3.46Å
198	L	90	Very high	93.3	Very high	18 Å²	18	27.5 Å²	27.5	9%	0.094	14%	0.141	C	C	.	.			trans	-104.2	136.2	-170.4	-53.2	-177.5	0	0	0	113	D191 V192 Q195 I200 L236 V238	D191-L198 VanDerWaalsContact O-CD2 3.24Å; D191-L198 WeakPolarHBondContact O-CD2 3.26Å; V192-L198 HydrophobicContact CB-CD1 3.93Å; V192-L198 HydrophobicContact CG1-CD1 3.95Å; V192-L198 HydrophobicContact CG1-CD2 4.49Å; Q195-L198 HydrophobicContact CG-CD1 4.39Å; Q195-L198 PolarHBondContact O-N 3.39Å; L198-I200 PolarHBondContact O-N 3.34Å; L198-L236 HydrophobicContact CD1-CD1 4.21Å; L198-V238 HydrophobicContact CD1-CG2 4Å
199	R	92.6	Very high	93.2	Very high	71 Å²	71	31.5 Å²	31.5	27%	0.268	16%	0.16	S	C	.	.			trans	-82.3	96.7	160.8	-66.7	176.1	59.9	177.5	4.7	108.8	D149 P154 K201 E202 T203	D149-R199 IonicContact OD2-CZ 3.24Å; D149-R199 IonicContact OD2-NH1 3.05Å; D149-R199 PolarHBondContact OD2-NH1 3.07Å; D149-R199 IonicContact OD2-NH2 3.15Å; D149-R199 PolarHBondContact OD2-NH2 2.9Å; P154-R199 PolarHBondContact O-NH1 3.48Å; R199-K201 PolarHBondContact O-N 3.5Å; R199-E202 HydrophobicContact CB-CB 4.25Å; R199-E202 WeakPolarHBondContact CB-OE2 3.49Å; R199-E202 IonicContact CZ-OE1 2.66Å; R199-E202 IonicContact NE-OE1 2.72Å; R199-E202 PolarHBondContact NE-OE1 3.21Å; R199-E202 IonicContact NE-OE2 2.82Å; R199-E202 IonicContact NH2-OE1 3.2Å; R199-E202 PolarHBondContact NH2-OE1 3.07Å; R199-E202 PolarHBondContact O-N 3.02Å; R199-T203 WeakPolarHBondContact O-CB 3.24Å; R199-T203 PolarHBondContact O-N 3.47Å; R199-T203 PolarHBondContact O-OG1 3.09Å
200	I	92.3	Very high	93.3	Very high	69 Å²	69	31.7 Å²	31.7	35%	0.354	16%	0.16	S	C	.	.	H	α-helix	trans	-52.9	-47.5	-165	-62.4	175.4	0	0	0	113	L198 A204 D237 V238	L198-I200 PolarHBondContact O-N 3.34Å; I200-A204 PolarHBondContact O-N 3.28Å; I200-D237 HydrophobicContact CD1-CB 4.13Å; I200-V238 HydrophobicContact CG2-CG2 4.32Å
201	K	93.8	Very high	93.3	Very high	97 Å²	97	35.6 Å²	35.6	42%	0.422	19%	0.188	S	C	.	.	H	α-helix	trans	-64.8	-50.9	-177.9	-177.4	-164.2	173.1	-163.4	0	110.9	A106 I110 R199 A204 Q205	A106-K201 PolarHBondContact O-NZ 3.32Å; I110-K201 HydrophobicContact CD1-CD 4.37Å; I110-K201 HydrophobicContact CD1-CG 3.86Å; R199-K201 PolarHBondContact O-N 3.5Å; K201-A204 WeakPolarHBondContact O-CB 3.42Å; K201-A204 PolarHBondContact O-N 2.74Å; K201-A204 VanDerWaalsContact O-N 3.16Å; K201-Q205 WeakPolarHBondContact O-CG 3.4Å; K201-Q205 PolarHBondContact O-N 3.09Å
202	E	94.4	Very high	93.2	Very high	40 Å²	40	40.6 Å²	40.6	19%	0.187	21%	0.206	C	C	.	.	H	α-helix	trans	-71.3	-33.3	-173.9	-61.9	87.5	155.8	0	0	111.7	L104 V155 R199 A204 Q205 A206	L104-E202 VanDerWaalsContact CD1-O 3.31Å; L104-E202 WeakPolarHBondContact CD1-O 3.14Å; V155-E202 HydrophobicContact CB-CB 4.36Å; V155-E202 VanDerWaalsContact CG1-C 3.43Å; V155-E202 HydrophobicContact CG1-CB 3.75Å; V155-E202 HydrophobicContact CG2-CB 3.94Å; R199-E202 HydrophobicContact CB-CB 4.25Å; R199-E202 WeakPolarHBondContact CB-OE2 3.49Å; R199-E202 IonicContact CZ-OE1 2.66Å; R199-E202 IonicContact NE-OE1 2.72Å; R199-E202 PolarHBondContact NE-OE1 3.21Å; R199-E202 IonicContact NE-OE2 2.82Å; R199-E202 IonicContact NH2-OE1 3.2Å; R199-E202 PolarHBondContact NH2-OE1 3.07Å; R199-E202 PolarHBondContact O-N 3.02Å; E202-A204 VanDerWaalsContact C-N 3.31Å; E202-A204 PolarHBondContact O-N 3.21Å; E202-Q205 PolarHBondContact O-N 3.28Å; E202-A206 PolarHBondContact O-N 3.39Å
203	T	94.6	Very high	93.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-38.8	170.5	-59.5	0	0	0	0	111	I190 V192 R199 A206 L207 V238	I190-T203 HydrophobicContact CG2-CG2 4.11Å; V192-T203 HydrophobicContact CG1-CG2 3.84Å; R199-T203 WeakPolarHBondContact O-CB 3.24Å; R199-T203 PolarHBondContact O-N 3.47Å; R199-T203 PolarHBondContact O-OG1 3.09Å; T203-A206 WeakPolarHBondContact O-CB 3.3Å; T203-A206 PolarHBondContact O-N 2.71Å; T203-L207 WeakPolarHBondContact O-CG 3.47Å; T203-L207 PolarHBondContact O-N 2.89Å; T203-L207 VanDerWaalsContact O-N 3.09Å; T203-V238 HydrophobicContact CG2-CG1 4.02Å; T203-V238 HydrophobicContact CG2-CG2 4.24Å
204	A	95.8	Very high	93.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-40.9	175.4	0	0	0	0	0	111.8	I110 P111 I200 K201 E202 A206 L207 A208 V238 P239	I110-A204 HydrophobicContact CG2-CB 4.03Å; P111-A204 WeakPolarHBondContact CD-O 3.18Å; P111-A204 WeakPolarHBondContact CG-O 3.29Å; I200-A204 PolarHBondContact O-N 3.28Å; K201-A204 WeakPolarHBondContact O-CB 3.42Å; K201-A204 PolarHBondContact O-N 2.74Å; K201-A204 VanDerWaalsContact O-N 3.16Å; E202-A204 VanDerWaalsContact C-N 3.31Å; E202-A204 PolarHBondContact O-N 3.21Å; A204-A206 VanDerWaalsContact C-N 3.31Å; A204-A206 PolarHBondContact O-N 3.22Å; A204-L207 WeakPolarHBondContact O-CB 3.47Å; A204-L207 PolarHBondContact O-N 2.62Å; A204-A208 PolarHBondContact O-N 3.46Å; A204-A208 VanDerWaalsContact O-N 3.1Å; A204-V238 HydrophobicContact CB-CG1 3.89Å; A204-P239 HydrophobicContact CB-CB 4.19Å; A204-P239 HydrophobicContact CB-CG 4.22Å
205	Q	95.3	Very high	93.1	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.019	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-38.6	171.8	-67.1	177.1	-52.9	0	0	111.8	L104 A106 S108 I110 K201 E202 L207 A208 Q209	L104-Q205 HydrophobicContact CD1-CB 4.03Å; A106-Q205 PolarHBondContact O-NE2 3.11Å; S108-Q205 PolarHBondContact O-NE2 2.9Å; I110-Q205 HydrophobicContact CD1-CG 4.44Å; I110-Q205 HydrophobicContact CG1-CG 3.61Å; K201-Q205 WeakPolarHBondContact O-CG 3.4Å; K201-Q205 PolarHBondContact O-N 3.09Å; E202-Q205 PolarHBondContact O-N 3.28Å; Q205-L207 VanDerWaalsContact C-N 3.34Å; Q205-L207 PolarHBondContact O-N 3.35Å; Q205-A208 PolarHBondContact O-N 3.19Å; Q205-Q209 WeakPolarHBondContact O-CG 3.43Å; Q205-Q209 PolarHBondContact O-N 3.34Å
206	A	94.6	Very high	93.3	Very high	1 Å²	1	49 Å²	49	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-37	175	0	0	0	0	0	112.8	L104 Y147 I190 E202 T203 A204 Q209	L104-A206 HydrophobicContact CD1-CB 3.96Å; Y147-A206 HydrophobicContact CD1-CB 3.84Å; Y147-A206 HydrophobicContact CD2-CB 4.07Å; Y147-A206 HydrophobicContact CE1-CB 4.14Å; Y147-A206 HydrophobicContact CE2-CB 4.37Å; Y147-A206 HydrophobicContact CG-CB 3.8Å; I190-A206 HydrophobicContact CD1-CB 3.89Å; E202-A206 PolarHBondContact O-N 3.39Å; T203-A206 WeakPolarHBondContact O-CB 3.3Å; T203-A206 PolarHBondContact O-N 2.71Å; A204-A206 VanDerWaalsContact C-N 3.31Å; A204-A206 PolarHBondContact O-N 3.22Å; A206-Q209 PolarHBondContact O-N 2.97Å
207	L	95.4	Very high	93.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-66.1	-44.3	174.3	-68.4	171.6	0	0	0	111.8	P188 I190 T203 A204 Q205 Q209 L210 W213 L221 V238	P188-L207 HydrophobicContact CB-CD2 4.37Å; P188-L207 HydrophobicContact CG-CD2 3.98Å; I190-L207 HydrophobicContact CD1-CD2 4.09Å; T203-L207 WeakPolarHBondContact O-CG 3.47Å; T203-L207 PolarHBondContact O-N 2.89Å; T203-L207 VanDerWaalsContact O-N 3.09Å; A204-L207 WeakPolarHBondContact O-CB 3.47Å; A204-L207 PolarHBondContact O-N 2.62Å; Q205-L207 VanDerWaalsContact C-N 3.34Å; Q205-L207 PolarHBondContact O-N 3.35Å; L207-Q209 PolarHBondContact O-N 3.11Å; L207-L210 HydrophobicContact CD2-CD1 4.07Å; L207-L210 VanDerWaalsContact O-CB 3.31Å; L207-L210 WeakPolarHBondContact O-CB 3.31Å; L207-L210 VanDerWaalsContact O-CG 3.28Å; L207-L210 WeakPolarHBondContact O-CG 3.24Å; L207-L210 PolarHBondContact O-N 2.88Å; L207-L210 VanDerWaalsContact O-N 3.1Å; L207-W213 HydrophobicContact CB-CD2 4.44Å; L207-W213 HydrophobicContact CB-CE3 4.28Å; L207-W213 HydrophobicContact CB-CH2 3.97Å; L207-W213 HydrophobicContact CB-CZ2 4.11Å; L207-W213 HydrophobicContact CB-CZ3 4.06Å; L207-W213 HydrophobicContact CD1-CH2 4.07Å; L207-W213 HydrophobicContact CD2-CH2 4.18Å; L207-W213 HydrophobicContact CD2-CZ3 3.92Å; L207-W213 HydrophobicContact CG-CH2 4.3Å; L207-W213 HydrophobicContact CG-CZ3 4.42Å; L207-L221 HydrophobicContact CD1-CD1 4.17Å; L207-L221 HydrophobicContact CD2-CD2 4Å; L207-V238 HydrophobicContact CD1-CG1 3.91Å
208	A	94.6	Very high	94.1	Very high	26 Å²	26	42.3 Å²	42.3	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-23.2	178.6	0	0	0	0	0	114	P109 P111 A204 Q205 L210	P109-A208 HydrophobicContact CG-CB 4.22Å; P109-A208 WeakPolarHBondContact O-CB 3.34Å; P111-A208 HydrophobicContact CG-CB 4.17Å; A204-A208 PolarHBondContact O-N 3.46Å; A204-A208 VanDerWaalsContact O-N 3.1Å; Q205-A208 PolarHBondContact O-N 3.19Å; A208-L210 VanDerWaalsContact C-N 3.28Å; A208-L210 PolarHBondContact O-N 3.42Å
209	Q	92.8	Very high	94.5	Very high	84 Å²	84	41.4 Å²	41.4	39%	0.393	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	2.3	175.7	-66.3	-69.4	-11.1	0	0	113.9	L104 Q205 A206 L207	L104-Q209 HydrophobicContact CD2-CG 3.75Å; Q205-Q209 WeakPolarHBondContact O-CG 3.43Å; Q205-Q209 PolarHBondContact O-N 3.34Å; A206-Q209 PolarHBondContact O-N 2.97Å; L207-Q209 PolarHBondContact O-N 3.11Å
210	L	94.1	Very high	94.7	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.063	19%	0.185	C	C	.	.	S	Bend	trans	-75.9	130.5	175.4	-62.1	174.2	0	0	0	110.6	Y142 P188 I190 L207 A208 R212 W213	Y142-L210 HydrophobicContact CD1-CD2 3.99Å; Y142-L210 HydrophobicContact CD2-CD1 4.34Å; Y142-L210 HydrophobicContact CD2-CD2 4.38Å; Y142-L210 HydrophobicContact CE1-CB 3.93Å; Y142-L210 HydrophobicContact CE1-CD2 4.17Å; Y142-L210 HydrophobicContact CE2-CB 4.31Å; Y142-L210 HydrophobicContact CE2-CD1 4.04Å; Y142-L210 HydrophobicContact CG-CD2 4.08Å; P188-L210 HydrophobicContact CB-CD1 3.96Å; P188-L210 HydrophobicContact CG-CD1 3.73Å; I190-L210 HydrophobicContact CD1-CD1 4.47Å; I190-L210 HydrophobicContact CD1-CD2 4.41Å; L207-L210 HydrophobicContact CD2-CD1 4.07Å; L207-L210 VanDerWaalsContact O-CB 3.31Å; L207-L210 WeakPolarHBondContact O-CB 3.31Å; L207-L210 VanDerWaalsContact O-CG 3.28Å; L207-L210 WeakPolarHBondContact O-CG 3.24Å; L207-L210 PolarHBondContact O-N 2.88Å; L207-L210 VanDerWaalsContact O-N 3.1Å; A208-L210 VanDerWaalsContact C-N 3.28Å; A208-L210 PolarHBondContact O-N 3.42Å; L210-R212 PolarHBondContact O-N 3.36Å; L210-W213 HydrophobicContact CB-CB 4.21Å; L210-W213 HydrophobicContact CD1-CE3 4.02Å; L210-W213 HydrophobicContact CD1-CZ3 4.42Å; L210-W213 WeakPolarHBondContact O-CB 3.36Å; L210-W213 PolarHBondContact O-N 2.85Å
211	S	91.8	Very high	95	Very high	92 Å²	92	34.9 Å²	34.9	64%	0.643	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.2	-167.5	53.9	0	0	0	0	116.4
212	R	92.8	Very high	95.2	Very high	118 Å²	118	30.2 Å²	30.2	45%	0.445	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	12.9	173.8	-70.6	-68.5	-165.6	-128.5	3.3	112.8	Y142 I180 L210 D214 H219	Y142-R212 WeakPolarHBondContact OH-CB 3.44Å; Y142-R212 PolarHBondContact OH-N 3.47Å; I180-R212 HydrophobicContact CD1-CG 3.7Å; I180-R212 HydrophobicContact CG1-CG 4.26Å; L210-R212 PolarHBondContact O-N 3.36Å; R212-D214 VanDerWaalsContact C-N 3.28Å; R212-D214 WeakPolarHBondContact O-CB 3.46Å; R212-D214 PolarHBondContact O-N 3.36Å; R212-D214 VanDerWaalsContact O-N 3.12Å; R212-H219 PolarHBondContact O-CE1 2.73Å
213	W	94.3	Very high	95.4	Very high	13 Å²	13	28.4 Å²	28.4	5%	0.049	14%	0.14	C	C	.	.			trans	-46.8	-48.8	-171.2	-177.6	-113.5	0	0	0	113.1	P111 L207 L210 R215 G216 T217 H219 R240 D241 A243	P111-W213 HydrophobicContact CG-CZ2 4.31Å; L207-W213 HydrophobicContact CB-CD2 4.44Å; L207-W213 HydrophobicContact CB-CE3 4.28Å; L207-W213 HydrophobicContact CB-CH2 3.97Å; L207-W213 HydrophobicContact CB-CZ2 4.11Å; L207-W213 HydrophobicContact CB-CZ3 4.06Å; L207-W213 HydrophobicContact CD1-CH2 4.07Å; L207-W213 HydrophobicContact CD2-CH2 4.18Å; L207-W213 HydrophobicContact CD2-CZ3 3.92Å; L207-W213 HydrophobicContact CG-CH2 4.3Å; L207-W213 HydrophobicContact CG-CZ3 4.42Å; L210-W213 HydrophobicContact CB-CB 4.21Å; L210-W213 HydrophobicContact CD1-CE3 4.02Å; L210-W213 HydrophobicContact CD1-CZ3 4.42Å; L210-W213 WeakPolarHBondContact O-CB 3.36Å; L210-W213 PolarHBondContact O-N 2.85Å; W213-R215 PolarHBondContact O-N 3.42Å; W213-G216 VanDerWaalsContact O-CA 3.25Å; W213-G216 WeakPolarHBondContact O-CA 3.31Å; W213-G216 PolarHBondContact O-N 3.37Å; W213-T217 PolarHBondContact O-N 2.84Å; W213-H219 HydrophobicContact CE3-CB 4.24Å; W213-H219 AromaticContact CE3-CD2 3.42Å; W213-H219 VanDerWaalsContact CE3-CD2 3.42Å; W213-H219 AromaticContact CE3-CG 3.69Å; W213-H219 AromaticContact CE3-NE2 3.93Å; W213-H219 HydrophobicContact CH2-CB 4.42Å; W213-H219 HydrophobicContact CZ3-CB 3.74Å; W213-H219 AromaticContact CZ3-CD2 3.64Å; W213-H219 AromaticContact CZ3-CG 3.71Å; W213-H219 PolarHBondContact O-ND1 3.42Å; W213-R240 HydrophobicContact CH2-CB 4.43Å; W213-R240 HydrophobicContact CZ2-CB 4.45Å; W213-R240 WeakPolarHBondContact CZ2-O 3.48Å; W213-D241 PolarHBondContact NE1-OD2 2.83Å; W213-A243 HydrophobicContact CH2-CB 3.79Å; W213-A243 HydrophobicContact CZ2-CB 4.44Å; W213-A243 HydrophobicContact CZ3-CB 4.48Å
214	D	92.5	Very high	95.4	Very high	86 Å²	86	28.9 Å²	28.9	46%	0.46	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	46.1	55.5	169.3	-169.5	22.5	0	0	0	113.3	R128 R212 G216 T217	R128-D214 IonicContact CZ-OD2 2.84Å; R128-D214 IonicContact NH1-OD2 3.87Å; R128-D214 IonicContact NH2-OD2 3.09Å; R128-D214 PolarHBondContact NH2-OD2 2.04Å; R212-D214 VanDerWaalsContact C-N 3.28Å; R212-D214 WeakPolarHBondContact O-CB 3.46Å; R212-D214 PolarHBondContact O-N 3.36Å; R212-D214 VanDerWaalsContact O-N 3.12Å; D214-G216 PolarHBondContact O-N 3.33Å; D214-T217 WeakPolarHBondContact O-CB 3.17Å; D214-T217 PolarHBondContact O-N 2.9Å; D214-T217 VanDerWaalsContact O-N 3.1Å
215	R	94.6	Very high	95.4	Very high	144 Å²	144	31.1 Å²	31.1	54%	0.543	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	50.1	41.8	-172.8	-58.9	-174.5	-63.7	175.6	-1.7	113.1	W213 T217 D241 R242	W213-R215 PolarHBondContact O-N 3.42Å; R215-T217 PolarHBondContact O-N 2.96Å; R215-D241 WeakPolarHBondContact CA-OD2 3.23Å; R215-D241 HydrophobicContact CB-CB 3.99Å; R215-D241 WeakPolarHBondContact O-CB 3.35Å; R215-R242 WeakPolarHBondContact O-CB 3.46Å; R215-R242 WeakPolarHBondContact O-CG 3.49Å; R215-R242 PolarHBondContact O-N 2.96Å
216	G	95.3	Very high	95.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	69.5	4.4	179.1	0	0	0	0	0	115.6	W213 D214 N218 H219 A243	W213-G216 VanDerWaalsContact O-CA 3.25Å; W213-G216 WeakPolarHBondContact O-CA 3.31Å; W213-G216 PolarHBondContact O-N 3.37Å; D214-G216 PolarHBondContact O-N 3.33Å; G216-N218 PolarHBondContact O-N 3.47Å; G216-H219 WeakPolarHBondContact O-CB 3.46Å; G216-H219 PolarHBondContact O-N 3.21Å; G216-A243 VanDerWaalsContact O-CA 3.23Å; G216-A243 WeakPolarHBondContact O-CA 3.33Å; G216-A243 PolarHBondContact O-N 2.97Å
217	T	96.5	Very high	95.2	Very high	12 Å²	12	31.1 Å²	31.1	7%	0.074	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	129.9	-177.2	-79.4	0	0	0	0	110.9	C123 D125 W213 D214 R215 H219	C123-T217 PolarHBondContact O-OG1 3.26Å; C123-T217 VanDerWaalsContact O-OG1 3.06Å; D125-T217 HydrophobicContact CB-CG2 3.67Å; W213-T217 PolarHBondContact O-N 2.84Å; D214-T217 WeakPolarHBondContact O-CB 3.17Å; D214-T217 PolarHBondContact O-N 2.9Å; D214-T217 VanDerWaalsContact O-N 3.1Å; R215-T217 PolarHBondContact O-N 2.96Å; T217-H219 PolarHBondContact O-N 3.26Å; T217-H219 VanDerWaalsContact O-N 3.13Å; T217-H219 PolarHBondContact O-ND1 3.09Å
218	N	97.4	Very high	94.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	15.1	-174.1	-60.6	27.9	0	0	0	116	F124 D125 C184 L185 F186 G216	F124-N218 HydrophobicContact CE2-CB 4.13Å; F124-N218 HydrophobicContact CZ-CB 4.43Å; F124-N218 WeakPolarHBondContact CZ-ND2 3.18Å; D125-N218 PolarHBondContact N-OD1 3.38Å; D125-N218 PolarHBondContact O-ND2 3.3Å; C184-N218 VanDerWaalsContact O-CB 3.28Å; C184-N218 WeakPolarHBondContact O-CB 3.4Å; C184-N218 PolarHBondContact O-ND2 3.26Å; L185-N218 WeakPolarHBondContact CA-O 3.19Å; L185-N218 HydrophobicContact CD2-CB 4.48Å; F186-N218 HydrophobicContact CD2-CB 4.24Å; F186-N218 HydrophobicContact CE2-CB 4.37Å; F186-N218 PolarHBondContact N-O 2.82Å; G216-N218 PolarHBondContact O-N 3.47Å
219	H	98.3	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-85.7	132.8	172.7	-72.6	61	0	0	0	110.3	Y142 F186 R212 W213 G216 T217 A243 L244	Y142-H219 AromaticContact CE2-CD2 3.84Å; Y142-H219 AromaticContact CE2-NE2 3.43Å; Y142-H219 WeakPolarHBondContact CE2-NE2 3.2Å; Y142-H219 AromaticContact CZ-NE2 3.56Å; Y142-H219 PolarHBondContact OH-NE2 3.01Å; F186-H219 AromaticContact CD2-CE1 3.78Å; F186-H219 AromaticContact CG-CE1 3.91Å; F186-H219 WeakPolarHBondContact O-CA 3.29Å; R212-H219 PolarHBondContact O-CE1 2.73Å; W213-H219 HydrophobicContact CE3-CB 4.24Å; W213-H219 AromaticContact CE3-CD2 3.42Å; W213-H219 VanDerWaalsContact CE3-CD2 3.42Å; W213-H219 AromaticContact CE3-CG 3.69Å; W213-H219 AromaticContact CE3-NE2 3.93Å; W213-H219 HydrophobicContact CH2-CB 4.42Å; W213-H219 HydrophobicContact CZ3-CB 3.74Å; W213-H219 AromaticContact CZ3-CD2 3.64Å; W213-H219 AromaticContact CZ3-CG 3.71Å; W213-H219 PolarHBondContact O-ND1 3.42Å; G216-H219 WeakPolarHBondContact O-CB 3.46Å; G216-H219 PolarHBondContact O-N 3.21Å; T217-H219 PolarHBondContact O-N 3.26Å; T217-H219 VanDerWaalsContact O-N 3.13Å; T217-H219 PolarHBondContact O-ND1 3.09Å; H219-A243 HydrophobicContact CB-CB 4.04Å; H219-A243 CarbonylContact O-C 3.44Å; H219-A243 WeakPolarHBondContact O-CA 2.97Å; H219-L244 VanDerWaalsContact O-CD1 3.25Å; H219-L244 WeakPolarHBondContact O-CD1 3.37Å; H219-L244 PolarHBondContact O-N 2.89Å
220	L	98.6	Very high	94	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.6	177.7	179.6	63.2	0	0	0	110.1	L185 F186 V187 F222 L244 A246 T443 L444 I447	L185-L220 HydrophobicContact CD1-CD2 4.4Å; F186-L220 PolarHBondContact O-N 2.99Å; V187-L220 HydrophobicContact CG2-CB 4.32Å; L220-F222 HydrophobicContact CD2-CE2 3.6Å; L220-F222 HydrophobicContact CD2-CZ 3.65Å; L220-F222 HydrophobicContact CG-CD2 4.33Å; L220-F222 HydrophobicContact CG-CE2 3.81Å; L220-F222 HydrophobicContact CG-CZ 4.23Å; L220-L244 HydrophobicContact CD1-CB 3.84Å; L220-A246 HydrophobicContact CD1-CB 4.15Å; L220-T443 HydrophobicContact CD2-CG2 4.35Å; L220-L444 HydrophobicContact CD2-CD2 4.02Å; L220-I447 HydrophobicContact CD1-CD1 3.95Å; L220-I447 HydrophobicContact CD2-CD1 3.76Å; L220-I447 HydrophobicContact CG-CD1 4.47Å
221	L	98.3	Very high	93.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.9	174.9	-56.6	-177.4	0	0	0	109.9	P188 V192 L207 L236 R240 A243 L244 L245 A246	P188-L221 HydrophobicContact CG-CD2 3.75Å; V192-L221 HydrophobicContact CG2-CB 4.35Å; L207-L221 HydrophobicContact CD1-CD1 4.17Å; L207-L221 HydrophobicContact CD2-CD2 4Å; L221-L236 HydrophobicContact CD1-CD2 4.17Å; L221-R240 HydrophobicContact CD1-CB 3.89Å; L221-A243 HydrophobicContact CD1-CB 4.19Å; L221-A243 HydrophobicContact CG-CB 4.24Å; L221-L244 PolarHBondContact N-O 2.82Å; L221-L245 HydrophobicContact CB-CD1 4.06Å; L221-A246 PolarHBondContact O-N 3.2Å
222	F	98.3	Very high	93.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.1	174.6	-70.8	-95.9	0	0	0	109.8	L166 I170 V192 L193 L220 A246 I263 T443	L166-F222 HydrophobicContact CD1-CB 3.86Å; L166-F222 HydrophobicContact CD1-CD1 3.66Å; L166-F222 HydrophobicContact CD1-CD2 4.05Å; L166-F222 HydrophobicContact CD1-CE1 4.13Å; L166-F222 HydrophobicContact CD1-CE2 4.49Å; L166-F222 HydrophobicContact CD1-CG 3.59Å; L166-F222 HydrophobicContact CD2-CD2 3.83Å; L166-F222 HydrophobicContact CD2-CE2 3.97Å; L166-F222 HydrophobicContact CD2-CG 4.25Å; L166-F222 HydrophobicContact CD2-CZ 4.49Å; I170-F222 HydrophobicContact CD1-CE2 4.15Å; I170-F222 HydrophobicContact CD1-CZ 4.41Å; V192-F222 CarbonylContact C-O 3.52Å; V192-F222 WeakPolarHBondContact CG2-O 3.34Å; L193-F222 HydrophobicContact CD2-CB 3.9Å; L220-F222 HydrophobicContact CD2-CE2 3.6Å; L220-F222 HydrophobicContact CD2-CZ 3.65Å; L220-F222 HydrophobicContact CG-CD2 4.33Å; L220-F222 HydrophobicContact CG-CE2 3.81Å; L220-F222 HydrophobicContact CG-CZ 4.23Å; F222-A246 HydrophobicContact CD1-CB 3.46Å; F222-A246 VanDerWaalsContact CD1-CB 3.46Å; F222-A246 HydrophobicContact CE1-CB 3.75Å; F222-A246 HydrophobicContact CG-CB 4.03Å; F222-A246 HydrophobicContact CZ-CB 4.49Å; F222-I263 HydrophobicContact CD1-CD1 4.26Å; F222-T443 HydrophobicContact CE1-CG2 3.72Å; F222-T443 HydrophobicContact CZ-CG2 3.99Å
223	N	97.1	Very high	93.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	109.9	178	173.1	-108.3	0	0	0	110.1	V192 L193 L225 P226 L236 L245 A246 G247 G248	V192-N223 WeakPolarHBondContact O-CB 3.2Å; V192-N223 PolarHBondContact O-ND2 3.19Å; L193-N223 PolarHBondContact O-ND2 3.27Å; N223-L225 PolarHBondContact ND2-O 2.78Å; N223-P226 WeakPolarHBondContact OD1-CA 3.37Å; N223-P226 WeakPolarHBondContact OD1-CB 3.4Å; N223-P226 VanDerWaalsContact OD1-N 3.14Å; N223-L236 HydrophobicContact CB-CB 4.31Å; N223-L236 HydrophobicContact CB-CD1 4.44Å; N223-L236 HydrophobicContact CB-CD2 4.47Å; N223-L245 HydrophobicContact CB-CD1 3.96Å; N223-A246 PolarHBondContact N-O 3.3Å; N223-G247 CarbonylContact O-C 3.42Å; N223-G247 VanDerWaalsContact O-CA 3.31Å; N223-G247 WeakPolarHBondContact O-CA 3.3Å; N223-G248 PolarHBondContact O-N 3.37Å
224	M	96.2	Very high	93.2	Very high	11 Å²	11	38.9 Å²	38.9	5%	0.054	21%	0.208	C	C	.	.	S	Bend	trans	-86.6	-33.9	179	-71	175.7	175.2	0	0	112.1	L193 P226 I263 V265 I436 I439	L193-M224 HydrophobicContact CD2-CG 4.19Å; L193-M224 HydrophobicContact CD2-SD 4.3Å; L193-M224 PolarHBondContact O-N 2.66Å; M224-P226 VanDerWaalsContact O-CD 3.29Å; M224-P226 WeakPolarHBondContact O-CD 3.47Å; M224-I263 HydrophobicContact CE-CD1 4.18Å; M224-I263 HydrophobicContact CG-CD1 3.87Å; M224-V265 WeakPolarHBondContact O-CG2 3.3Å; M224-I436 HydrophobicContact CE-CD1 3.75Å; M224-I436 HydrophobicContact SD-CD1 4.22Å; M224-I439 HydrophobicContact CE-CD1 3.91Å; M224-I439 HydrophobicContact CE-CG2 3.96Å
225	L	95.4	Very high	93.3	Very high	47 Å²	47	35.4 Å²	35.4	25%	0.246	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-117.3	87.7	-179.7	-58.9	173	0	0	0	109.6	L193 N194 Q195 N223 V265	L193-L225 PolarHBondContact O-N 2.95Å; N194-L225 HydrophobicContact CB-CB 4.47Å; N194-L225 HydrophobicContact CB-CD1 4.28Å; Q195-L225 WeakPolarHBondContact CB-O 3.45Å; Q195-L225 PolarHBondContact N-O 3.27Å; N223-L225 PolarHBondContact ND2-O 2.78Å; L225-V265 HydrophobicContact CD2-CG1 3.7Å; L225-V265 HydrophobicContact CD2-CG2 4.45Å
226	P	94.6	Very high	93.4	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.026	17%	0.166	C	C	.	.			trans	-74.7	162.8	173.1	30.9	-35.3	0	0	0	111.5	N223 M224 N233 A235 R358	N223-P226 WeakPolarHBondContact OD1-CA 3.37Å; N223-P226 WeakPolarHBondContact OD1-CB 3.4Å; N223-P226 VanDerWaalsContact OD1-N 3.14Å; M224-P226 VanDerWaalsContact O-CD 3.29Å; M224-P226 WeakPolarHBondContact O-CD 3.47Å; P226-N233 CarbonylContact C-O 3.12Å; P226-N233 WeakPolarHBondContact CB-O 3.43Å; P226-A235 VanDerWaalsContact CB-C 3.42Å; P226-R358 PolarHBondContact O-NE 2.84Å
227	G	90.7	Very high	93.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.			trans	68.9	164.4	174.3	0	0	0	0	0	114.4	Q195 N233 R358	Q195-G227 VanDerWaalsContact NE2-C 3.27Å; Q195-G227 VanDerWaalsContact NE2-CA 3.31Å; G227-N233 PolarHBondContact N-O 2.95Å; G227-R358 PolarHBondContact O-NH2 2.84Å
228	G	87.8	Confident	93.3	Very high	15 Å²	15	30.8 Å²	30.8	16%	0.155	18%	0.177	C	C	.	.			trans	-144.4	175.3	169.6	0	0	0	0	0	110.8	D231 Y232	G228-D231 PolarHBondContact O-N 3.08Å; G228-Y232 PolarHBondContact O-N 3.38Å
229	P	84.3	Confident	93.3	Very high	93 Å²	93	31.8 Å²	31.8	60%	0.604	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	141	173.9	-16.5	27.6	0	0	0	111.2	Y232	P229-Y232 HydrophobicContact CB-CE2 4.41Å; P229-Y232 HydrophobicContact CG-CE1 4.4Å; P229-Y232 HydrophobicContact CG-CE2 4.5Å
230	P	84.6	Confident	93.1	Very high	106 Å²	106	32.4 Å²	32.4	69%	0.688	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.5	-23.2	1.8	33.7	-32.8	0	0	0	114.5	Y232	P230-Y232 WeakPolarHBondContact O-CD2 3.44Å
231	D	82.8	Confident	93	Very high	121 Å²	121	33.2 Å²	33.2	65%	0.647	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-24.2	-160.3	-53.7	-56.2	0	0	0	115.2	G228 N233	G228-D231 PolarHBondContact O-N 3.08Å; D231-N233 PolarHBondContact O-N 3.35Å
232	Y	88.3	Confident	92.9	Very high	73 Å²	73	36.6 Å²	36.6	29%	0.286	20%	0.203	S	C	.	.			trans	47	50.4	-178.4	-63.9	-86.1	0	0	0	114.7	G228 P229 P230 A357 R358	G228-Y232 PolarHBondContact O-N 3.38Å; P229-Y232 HydrophobicContact CB-CE2 4.41Å; P229-Y232 HydrophobicContact CG-CE1 4.4Å; P229-Y232 HydrophobicContact CG-CE2 4.5Å; P230-Y232 WeakPolarHBondContact O-CD2 3.44Å; Y232-A357 WeakPolarHBondContact CB-O 3.12Å; Y232-A357 HydrophobicContact CD1-CB 4.42Å; Y232-A357 HydrophobicContact CD2-CB 4.09Å; Y232-A357 HydrophobicContact CE1-CB 4.38Å; Y232-A357 HydrophobicContact CE2-CB 4.05Å; Y232-A357 HydrophobicContact CG-CB 4.26Å; Y232-R358 HydrophobicContact CD1-CG 3.96Å
233	N	92.9	Very high	92.9	Very high	72 Å²	72	36.6 Å²	36.6	39%	0.385	20%	0.203	S	C	.	.			trans	-47	141.6	179	-68.5	-43.4	0	0	0	113.3	P226 G227 D231 A235 D237	P226-N233 CarbonylContact C-O 3.12Å; P226-N233 WeakPolarHBondContact CB-O 3.43Å; G227-N233 PolarHBondContact N-O 2.95Å; D231-N233 PolarHBondContact O-N 3.35Å; N233-A235 PolarHBondContact O-N 3.13Å; N233-D237 WeakPolarHBondContact CB-OD1 3.4Å; N233-D237 PolarHBondContact ND2-OD1 2.75Å; N233-D237 PolarHBondContact ND2-OD2 2.94Å
234	T	93.8	Very high	92.9	Very high	30 Å²	30	36.6 Å²	36.6	18%	0.184	20%	0.203	C	C	.	.	S	Bend	trans	-80.2	5.9	-172.9	55.2	0	0	0	0	114.2	G249 F250 S251 T254 L359	T234-G249 WeakPolarHBondContact CA-O 3.36Å; T234-G249 VanDerWaalsContact CB-O 3.26Å; T234-G249 WeakPolarHBondContact CB-O 3.34Å; T234-G249 CarbonylContact O-C 3.49Å; T234-G249 VanDerWaalsContact O-O 3.11Å; T234-F250 WeakPolarHBondContact O-CA 3.38Å; T234-F250 PolarHBondContact O-N 2.97Å; T234-S251 PolarHBondContact OG1-OG 3.1Å; T234-T254 WeakPolarHBondContact OG1-CG2 2.94Å; T234-T254 PolarHBondContact OG1-OG1 3.26Å; T234-L359 HydrophobicContact CG2-CD1 3.55Å; T234-L359 HydrophobicContact CG2-CG 3.99Å
235	A	94.4	Very high	93	Very high	13 Å²	13	36 Å²	36	11%	0.107	20%	0.2	C	C	.	.	S	Bend	trans	-144.3	164.5	171.5	0	0	0	0	0	109.6	P226 N233 D237 L245 F250 T254	P226-A235 VanDerWaalsContact CB-C 3.42Å; N233-A235 PolarHBondContact O-N 3.13Å; A235-D237 PolarHBondContact O-N 2.94Å; A235-L245 HydrophobicContact CB-CD2 4.09Å; A235-F250 HydrophobicContact CB-CD1 4.48Å; A235-F250 HydrophobicContact CB-CE1 4.22Å; A235-T254 HydrophobicContact CB-CG2 4.41Å
236	L	95.2	Very high	93.2	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	19%	0.188	C	C	.	.			trans	-57.4	126.8	179.4	-179.8	64.8	0	0	0	111.4	V192 Q195 L198 L221 N223 V238 R240 L245	V192-L236 HydrophobicContact CB-CD2 4.39Å; V192-L236 HydrophobicContact CG2-CD2 4.22Å; Q195-L236 HydrophobicContact CB-CD1 4.5Å; Q195-L236 HydrophobicContact CG-CD1 4.25Å; L198-L236 HydrophobicContact CD1-CD1 4.21Å; L221-L236 HydrophobicContact CD1-CD2 4.17Å; N223-L236 HydrophobicContact CB-CB 4.31Å; N223-L236 HydrophobicContact CB-CD1 4.44Å; N223-L236 HydrophobicContact CB-CD2 4.47Å; L236-V238 VanDerWaalsContact C-N 3.33Å; L236-V238 HydrophobicContact CD1-CB 4.17Å; L236-V238 HydrophobicContact CD1-CG2 3.8Å; L236-V238 HydrophobicContact CD2-CB 4.06Å; L236-V238 HydrophobicContact CD2-CG2 4.46Å; L236-V238 HydrophobicContact CG-CB 3.87Å; L236-V238 HydrophobicContact CG-CG2 4.09Å; L236-R240 PolarHBondContact O-NH1 3.06Å; L236-L245 HydrophobicContact CB-CD1 4.06Å; L236-L245 HydrophobicContact CB-CD2 4.02Å; L236-L245 HydrophobicContact CD2-CD1 4.16Å
237	D	95.2	Very high	93.3	Very high	55 Å²	55	33.7 Å²	33.7	29%	0.294	19%	0.188	S	C	.	.			trans	-77.7	-16.9	-179.9	-73.3	-39.4	0	0	0	113.7	Q195 I200 N233 A235 P239	Q195-D237 PolarHBondContact NE2-OD2 2.8Å; I200-D237 HydrophobicContact CD1-CB 4.13Å; N233-D237 WeakPolarHBondContact CB-OD1 3.4Å; N233-D237 PolarHBondContact ND2-OD1 2.75Å; N233-D237 PolarHBondContact ND2-OD2 2.94Å; A235-D237 PolarHBondContact O-N 2.94Å; D237-P239 VanDerWaalsContact O-CD 3.23Å; D237-P239 WeakPolarHBondContact O-CD 3.36Å
238	V	95.3	Very high	93.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-60.6	120.1	175.6	-177.7	0	0	0	0	109.3	L198 I200 T203 A204 L207 L236 R240	L198-V238 HydrophobicContact CD1-CG2 4Å; I200-V238 HydrophobicContact CG2-CG2 4.32Å; T203-V238 HydrophobicContact CG2-CG1 4.02Å; T203-V238 HydrophobicContact CG2-CG2 4.24Å; A204-V238 HydrophobicContact CB-CG1 3.89Å; L207-V238 HydrophobicContact CD1-CG1 3.91Å; L236-V238 VanDerWaalsContact C-N 3.33Å; L236-V238 HydrophobicContact CD1-CB 4.17Å; L236-V238 HydrophobicContact CD1-CG2 3.8Å; L236-V238 HydrophobicContact CD2-CB 4.06Å; L236-V238 HydrophobicContact CD2-CG2 4.46Å; L236-V238 HydrophobicContact CG-CB 3.87Å; L236-V238 HydrophobicContact CG-CG2 4.09Å; V238-R240 PolarHBondContact O-N 2.85Å; V238-R240 PolarHBondContact O-NH1 3.34Å
239	P	96.8	Very high	93.9	Very high	21 Å²	21	33.1 Å²	33.1	14%	0.136	18%	0.182	C	C	.	.			trans	-54.8	135.8	170.8	-25.2	33.9	0	0	0	111	I110 P111 E112 A204 D237	I110-P239 HydrophobicContact CG2-CB 4.27Å; I110-P239 HydrophobicContact CG2-CG 4.27Å; P111-P239 HydrophobicContact CB-CB 4.08Å; P111-P239 WeakPolarHBondContact O-CB 3.41Å; E112-P239 CarbonylContact O-C 3.6Å; E112-P239 WeakPolarHBondContact O-CB 3.38Å; A204-P239 HydrophobicContact CB-CB 4.19Å; A204-P239 HydrophobicContact CB-CG 4.22Å; D237-P239 VanDerWaalsContact O-CD 3.23Å; D237-P239 WeakPolarHBondContact O-CD 3.36Å
240	R	95.7	Very high	94.5	Very high	13 Å²	13	28.7 Å²	28.7	5%	0.049	15%	0.153	C	C	.	.			trans	-151.4	13.4	-165	68.5	-177.3	171.5	-77.4	4.6	114.4	E112 W213 L221 L236 V238 R242 A243	E112-R240 PolarHBondContact O-N 3.43Å; W213-R240 HydrophobicContact CH2-CB 4.43Å; W213-R240 HydrophobicContact CZ2-CB 4.45Å; W213-R240 WeakPolarHBondContact CZ2-O 3.48Å; L221-R240 HydrophobicContact CD1-CB 3.89Å; L236-R240 PolarHBondContact O-NH1 3.06Å; V238-R240 PolarHBondContact O-N 2.85Å; V238-R240 PolarHBondContact O-NH1 3.34Å; R240-R242 PolarHBondContact O-N 2.91Å; R240-R242 VanDerWaalsContact O-N 3.14Å; R240-A243 HydrophobicContact CB-CB 4.18Å; R240-A243 HydrophobicContact CG-CB 4.43Å; R240-A243 VanDerWaalsContact O-CB 3.29Å; R240-A243 WeakPolarHBondContact O-CB 2.99Å; R240-A243 PolarHBondContact O-N 3.28Å
241	D	95.6	Very high	95	Very high	18 Å²	18	24.1 Å²	24.1	10%	0.096	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	-118	-176.8	-59.7	-57.2	0	0	0	112	P111 E112 G114 D115 W213 R215	P111-D241 WeakPolarHBondContact CB-OD2 3.47Å; E112-D241 WeakPolarHBondContact CB-OD1 3.5Å; E112-D241 PolarHBondContact N-OD1 3.19Å; E112-D241 PolarHBondContact O-N 3.41Å; G114-D241 WeakPolarHBondContact CA-O 3.16Å; D115-D241 PolarHBondContact N-O 2.03Å; W213-D241 PolarHBondContact NE1-OD2 2.83Å; R215-D241 WeakPolarHBondContact CA-OD2 3.23Å; R215-D241 HydrophobicContact CB-CB 3.99Å; R215-D241 WeakPolarHBondContact O-CB 3.35Å
242	R	96.5	Very high	95.5	Very high	71 Å²	71	22.1 Å²	22.1	27%	0.268	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	2.1	-177.2	-57.5	176.2	171.3	-157	-11.8	114.1	C123 R215 R240 L244 Y259	C123-R242 HydrophobicContact CB-CB 4.07Å; C123-R242 HydrophobicContact CB-CG 4.26Å; R215-R242 WeakPolarHBondContact O-CB 3.46Å; R215-R242 WeakPolarHBondContact O-CG 3.49Å; R215-R242 PolarHBondContact O-N 2.96Å; R240-R242 PolarHBondContact O-N 2.91Å; R240-R242 VanDerWaalsContact O-N 3.14Å; R242-L244 PolarHBondContact O-N 2.84Å; R242-Y259 WeakPolarHBondContact O-CE1 3.24Å; R242-Y259 PolarHBondContact O-OH 2.91Å
243	A	97.8	Very high	95.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.			trans	-55.7	138.9	-175.1	0	0	0	0	0	112.4	W213 G216 H219 L221 R240 R256	W213-A243 HydrophobicContact CH2-CB 3.79Å; W213-A243 HydrophobicContact CZ2-CB 4.44Å; W213-A243 HydrophobicContact CZ3-CB 4.48Å; G216-A243 VanDerWaalsContact O-CA 3.23Å; G216-A243 WeakPolarHBondContact O-CA 3.33Å; G216-A243 PolarHBondContact O-N 2.97Å; H219-A243 HydrophobicContact CB-CB 4.04Å; H219-A243 CarbonylContact O-C 3.44Å; H219-A243 WeakPolarHBondContact O-CA 2.97Å; L221-A243 HydrophobicContact CD1-CB 4.19Å; L221-A243 HydrophobicContact CG-CB 4.24Å; R240-A243 HydrophobicContact CB-CB 4.18Å; R240-A243 HydrophobicContact CG-CB 4.43Å; R240-A243 VanDerWaalsContact O-CB 3.29Å; R240-A243 WeakPolarHBondContact O-CB 2.99Å; R240-A243 PolarHBondContact O-N 3.28Å; A243-R256 PolarHBondContact O-NH2 3.02Å
244	L	98	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	142.8	172.5	-57.7	82.9	0	0	0	108.6	F124 H219 L220 L221 R242 Y259 I447	F124-L244 HydrophobicContact CD2-CD1 3.96Å; F124-L244 HydrophobicContact CD2-CD2 4.17Å; F124-L244 HydrophobicContact CE2-CD1 4.11Å; F124-L244 HydrophobicContact CE2-CD2 4.17Å; H219-L244 VanDerWaalsContact O-CD1 3.25Å; H219-L244 WeakPolarHBondContact O-CD1 3.37Å; H219-L244 PolarHBondContact O-N 2.89Å; L220-L244 HydrophobicContact CD1-CB 3.84Å; L221-L244 PolarHBondContact N-O 2.82Å; R242-L244 PolarHBondContact O-N 2.84Å; L244-Y259 HydrophobicContact CG-CE1 4.12Å; L244-I447 HydrophobicContact CD2-CD1 4.38Å
245	L	98.2	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116	177.7	-172.7	65.9	0	0	0	109.8	L221 N223 A235 L236 G247 F250 D260 V261	L221-L245 HydrophobicContact CB-CD1 4.06Å; N223-L245 HydrophobicContact CB-CD1 3.96Å; A235-L245 HydrophobicContact CB-CD2 4.09Å; L236-L245 HydrophobicContact CB-CD1 4.06Å; L236-L245 HydrophobicContact CB-CD2 4.02Å; L236-L245 HydrophobicContact CD2-CD1 4.16Å; L245-G247 PolarHBondContact O-N 3.19Å; L245-F250 HydrophobicContact CB-CZ 4.02Å; L245-F250 HydrophobicContact CD2-CE1 3.99Å; L245-F250 HydrophobicContact CD2-CZ 3.82Å; L245-F250 HydrophobicContact CG-CZ 3.97Å; L245-D260 PolarHBondContact N-OD1 2.74Å; L245-D260 WeakPolarHBondContact O-CA 3.37Å; L245-D260 VanDerWaalsContact O-CB 3.3Å; L245-D260 WeakPolarHBondContact O-CB 3.45Å; L245-V261 PolarHBondContact O-N 2.84Å
246	A	98.6	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	96.8	160.5	0	0	0	0	0	107	L220 L221 F222 N223 V261 I263 T443	L220-A246 HydrophobicContact CD1-CB 4.15Å; L221-A246 PolarHBondContact O-N 3.2Å; F222-A246 HydrophobicContact CD1-CB 3.46Å; F222-A246 VanDerWaalsContact CD1-CB 3.46Å; F222-A246 HydrophobicContact CE1-CB 3.75Å; F222-A246 HydrophobicContact CG-CB 4.03Å; F222-A246 HydrophobicContact CZ-CB 4.49Å; N223-A246 PolarHBondContact N-O 3.3Å; A246-V261 CarbonylContact C-O 3.55Å; A246-V261 VanDerWaalsContact CA-O 3.3Å; A246-V261 WeakPolarHBondContact CA-O 2.89Å; A246-I263 HydrophobicContact CB-CD1 4.17Å; A246-I263 HydrophobicContact CB-CG2 3.88Å; A246-I263 WeakPolarHBondContact O-CD1 3.31Å; A246-T443 HydrophobicContact CB-CG2 3.79Å
247	G	97.6	Very high	95.9	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.6	-162.5	0	0	0	0	0	113.7	N223 L245 F250 V261 S262 I263	N223-G247 CarbonylContact O-C 3.42Å; N223-G247 VanDerWaalsContact O-CA 3.31Å; N223-G247 WeakPolarHBondContact O-CA 3.3Å; L245-G247 PolarHBondContact O-N 3.19Å; G247-F250 VanDerWaalsContact CA-CE2 3.41Å; G247-F250 WeakPolarHBondContact O-CD2 3.44Å; G247-V261 PolarHBondContact N-O 3.41Å; G247-S262 WeakPolarHBondContact O-CA 3.45Å; G247-I263 PolarHBondContact O-N 3.29Å
248	G	96.3	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-86.8	-13	-174	0	0	0	0	0	116.7	N223 I263 G360	N223-G248 PolarHBondContact O-N 3.37Å; G248-I263 WeakPolarHBondContact CA-O 3.49Å; G248-G360 VanDerWaalsContact O-CA 3.3Å; G248-G360 WeakPolarHBondContact O-CA 3.47Å
249	G	93.4	Very high	95.6	Very high	2 Å²	2	32 Å²	32	2%	0.021	16%	0.157	C	C	.	.	S	Bend	trans	-134.6	24.1	-168.3	0	0	0	0	0	115.2	T234	T234-G249 WeakPolarHBondContact CA-O 3.36Å; T234-G249 VanDerWaalsContact CB-O 3.26Å; T234-G249 WeakPolarHBondContact CB-O 3.34Å; T234-G249 CarbonylContact O-C 3.49Å; T234-G249 VanDerWaalsContact O-O 3.11Å
250	F	97	Very high	95.7	Very high	1 Å²	1	31 Å²	31	0%	0.004	15%	0.15	C	C	.	.			trans	-57.3	143.1	-175.2	-81.6	-58.2	0	0	0	114	T234 A235 L245 G247 Y255 D260 I382	T234-F250 WeakPolarHBondContact O-CA 3.38Å; T234-F250 PolarHBondContact O-N 2.97Å; A235-F250 HydrophobicContact CB-CD1 4.48Å; A235-F250 HydrophobicContact CB-CE1 4.22Å; L245-F250 HydrophobicContact CB-CZ 4.02Å; L245-F250 HydrophobicContact CD2-CE1 3.99Å; L245-F250 HydrophobicContact CD2-CZ 3.82Å; L245-F250 HydrophobicContact CG-CZ 3.97Å; G247-F250 VanDerWaalsContact CA-CE2 3.41Å; G247-F250 WeakPolarHBondContact O-CD2 3.44Å; F250-Y255 HydrophobicContact CB-CD2 4.29Å; F250-Y255 HydrophobicContact CB-CG 4.48Å; F250-Y255 HydrophobicContact CD1-CD2 4.2Å; F250-Y255 AromaticContact CD2-CD2 3.68Å; F250-Y255 HydrophobicContact CD2-CD2 3.68Å; F250-Y255 HydrophobicContact CD2-CE2 4.22Å; F250-Y255 HydrophobicContact CE1-CD2 4.42Å; F250-Y255 AromaticContact CE2-CD2 3.92Å; F250-Y255 HydrophobicContact CE2-CD2 3.92Å; F250-Y255 HydrophobicContact CE2-CE2 4.29Å; F250-Y255 AromaticContact CG-CD2 3.82Å; F250-Y255 HydrophobicContact CG-CD2 3.82Å; F250-Y255 HydrophobicContact CG-CG 4.4Å; F250-Y255 HydrophobicContact CZ-CD2 4.29Å; F250-D260 HydrophobicContact CE1-CB 4.39Å; F250-D260 HydrophobicContact CE2-CB 3.94Å; F250-D260 HydrophobicContact CZ-CB 3.57Å; F250-I382 HydrophobicContact CB-CB 4.03Å; F250-I382 HydrophobicContact CB-CG1 4.2Å; F250-I382 PolarHBondContact O-N 3.15Å
251	S	96.1	Very high	95.8	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.063	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-108.7	163.2	162.3	65.2	0	0	0	0	111.1	T234 W253 T254 Y255 S380	T234-S251 PolarHBondContact OG1-OG 3.1Å; S251-W253 PolarHBondContact O-N 2.88Å; S251-T254 PolarHBondContact N-OG1 3.09Å; S251-T254 PolarHBondContact O-N 3.07Å; S251-T254 PolarHBondContact O-OG1 2.96Å; S251-T254 PolarHBondContact OG-OG1 3.42Å; S251-Y255 VanDerWaalsContact O-CB 3.31Å; S251-Y255 WeakPolarHBondContact O-CB 3.48Å; S251-Y255 PolarHBondContact O-N 3.04Å; S251-S380 CarbonylContact C-O 3.5Å; S251-S380 WeakPolarHBondContact CA-O 3.44Å
252	T	93.9	Very high	96	Very high	80 Å²	80	29.6 Å²	29.6	49%	0.491	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-26.6	170.8	50.2	0	0	0	0	114	S380 I382	T252-S380 PolarHBondContact N-O 3.45Å; T252-S380 VanDerWaalsContact OG1-CB 3.31Å; T252-S380 WeakPolarHBondContact OG1-CB 3.4Å; T252-S380 PolarHBondContact OG1-OG 2.81Å; T252-I382 HydrophobicContact CG2-CD1 3.75Å
253	W	93.2	Very high	96.1	Very high	207 Å²	207	26.2 Å²	26.2	78%	0.784	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-25.8	179.2	-58.2	100.4	0	0	0	114.5	S251	S251-W253 PolarHBondContact O-N 2.88Å
254	T	95	Very high	96	Very high	30 Å²	30	26.4 Å²	26.4	18%	0.184	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-16.7	-176.1	53.2	0	0	0	0	113.7	T234 A235 S251 R256	T234-T254 WeakPolarHBondContact OG1-CG2 2.94Å; T234-T254 PolarHBondContact OG1-OG1 3.26Å; A235-T254 HydrophobicContact CB-CG2 4.41Å; S251-T254 PolarHBondContact N-OG1 3.09Å; S251-T254 PolarHBondContact O-N 3.07Å; S251-T254 PolarHBondContact O-OG1 2.96Å; S251-T254 PolarHBondContact OG-OG1 3.42Å; T254-R256 PolarHBondContact O-N 3.13Å
255	Y	96.3	Very high	95.9	Very high	30 Å²	30	26.8 Å²	26.8	12%	0.118	14%	0.135	C	C	.	.			trans	-75.9	117.1	179	-175	-127.6	0	0	0	112.3	F250 S251 Q257 D260 I382	F250-Y255 HydrophobicContact CB-CD2 4.29Å; F250-Y255 HydrophobicContact CB-CG 4.48Å; F250-Y255 HydrophobicContact CD1-CD2 4.2Å; F250-Y255 AromaticContact CD2-CD2 3.68Å; F250-Y255 HydrophobicContact CD2-CD2 3.68Å; F250-Y255 HydrophobicContact CD2-CE2 4.22Å; F250-Y255 HydrophobicContact CE1-CD2 4.42Å; F250-Y255 AromaticContact CE2-CD2 3.92Å; F250-Y255 HydrophobicContact CE2-CD2 3.92Å; F250-Y255 HydrophobicContact CE2-CE2 4.29Å; F250-Y255 AromaticContact CG-CD2 3.82Å; F250-Y255 HydrophobicContact CG-CD2 3.82Å; F250-Y255 HydrophobicContact CG-CG 4.4Å; F250-Y255 HydrophobicContact CZ-CD2 4.29Å; S251-Y255 VanDerWaalsContact O-CB 3.31Å; S251-Y255 WeakPolarHBondContact O-CB 3.48Å; S251-Y255 PolarHBondContact O-N 3.04Å; Y255-Q257 HydrophobicContact CD1-CB 4.26Å; Y255-Q257 HydrophobicContact CE1-CB 4.11Å; Y255-Q257 HydrophobicContact CE1-CG 4.33Å; Y255-Q257 PolarHBondContact O-N 2.97Å; Y255-Q257 VanDerWaalsContact O-N 3.15Å; Y255-D260 HydrophobicContact CD2-CB 4.09Å; Y255-D260 HydrophobicContact CE2-CB 4.02Å; Y255-I382 HydrophobicContact CD1-CD1 4.31Å; Y255-I382 HydrophobicContact CD1-CG1 3.98Å; Y255-I382 HydrophobicContact CD1-CG2 3.88Å; Y255-I382 HydrophobicContact CD2-CG2 4.48Å; Y255-I382 HydrophobicContact CE1-CG2 3.91Å; Y255-I382 HydrophobicContact CG-CB 4.49Å; Y255-I382 HydrophobicContact CG-CG1 4Å; Y255-I382 HydrophobicContact CG-CG2 4.17Å
256	R	95.6	Very high	95.8	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.011	14%	0.14	C	C	.	.			trans	-85.7	86.3	172.8	-59.5	176.9	-66.8	-176.8	3.3	109.1	D115 L116 A243 T254 G258 Y259 D260	D115-R256 WeakPolarHBondContact O-CD 3.38Å; D115-R256 PolarHBondContact O-NH1 2.76Å; L116-R256 HydrophobicContact CD2-CG 4.42Å; A243-R256 PolarHBondContact O-NH2 3.02Å; T254-R256 PolarHBondContact O-N 3.13Å; R256-G258 PolarHBondContact O-N 2.81Å; R256-Y259 HydrophobicContact CB-CD1 4.35Å; R256-Y259 WeakPolarHBondContact O-CA 3.46Å; R256-Y259 WeakPolarHBondContact O-CB 3.37Å; R256-Y259 PolarHBondContact O-N 3.47Å; R256-D260 HydrophobicContact CB-CB 4.4Å; R256-D260 WeakPolarHBondContact CB-OD2 3.46Å; R256-D260 IonicContact CZ-OD1 3.59Å; R256-D260 IonicContact CZ-OD2 2.94Å; R256-D260 IonicContact NE-OD1 3.38Å; R256-D260 PolarHBondContact NE-OD1 2.9Å; R256-D260 IonicContact NE-OD2 3.62Å; R256-D260 PolarHBondContact NE-OD2 3.37Å; R256-D260 IonicContact NH2-OD1 3.81Å; R256-D260 PolarHBondContact NH2-OD1 3.04Å; R256-D260 IonicContact NH2-OD2 2.72Å; R256-D260 PolarHBondContact NH2-OD2 3.43Å; R256-D260 PolarHBondContact O-N 3.37Å
257	Q	91.2	Very high	95.5	Very high	152 Å²	152	28.4 Å²	28.4	71%	0.71	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	129	-177.8	-173.5	-179.4	4.7	0	0	112.3	Y255 Y259	Y255-Q257 HydrophobicContact CD1-CB 4.26Å; Y255-Q257 HydrophobicContact CE1-CB 4.11Å; Y255-Q257 HydrophobicContact CE1-CG 4.33Å; Y255-Q257 PolarHBondContact O-N 2.97Å; Y255-Q257 VanDerWaalsContact O-N 3.15Å; Q257-Y259 PolarHBondContact O-N 3.35Å
258	G	90	Very high	95.1	Very high	32 Å²	32	30.6 Å²	30.6	33%	0.33	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	5.4	-177.6	0	0	0	0	0	115	R256 R450	R256-G258 PolarHBondContact O-N 2.81Å; G258-R450 PolarHBondContact O-NH1 3.44Å
259	Y	96	Very high	94.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-59.2	176.4	-167.7	-102.9	0	0	0	111.3	C118 C123 F124 R242 L244 R256 Q257 R450	C118-Y259 HydrophobicContact CB-CD1 4.04Å; C118-Y259 HydrophobicContact CB-CE1 3.82Å; C118-Y259 HydrophobicContact CB-CE2 4.47Å; C118-Y259 HydrophobicContact CB-CG 4.46Å; C123-Y259 HydrophobicContact CB-CE2 3.82Å; C123-Y259 VanDerWaalsContact CB-OH 3.22Å; C123-Y259 WeakPolarHBondContact CB-OH 3.25Å; F124-Y259 HydrophobicContact CB-CE2 4.08Å; R242-Y259 WeakPolarHBondContact O-CE1 3.24Å; R242-Y259 PolarHBondContact O-OH 2.91Å; L244-Y259 HydrophobicContact CG-CE1 4.12Å; R256-Y259 HydrophobicContact CB-CD1 4.35Å; R256-Y259 WeakPolarHBondContact O-CA 3.46Å; R256-Y259 WeakPolarHBondContact O-CB 3.37Å; R256-Y259 PolarHBondContact O-N 3.47Å; Q257-Y259 PolarHBondContact O-N 3.35Å; Y259-R450 VanDerWaalsContact C-NH1 3.32Å; Y259-R450 PolarHBondContact O-NH1 3.48Å
260	D	98.1	Very high	94	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.162	C	C	.	.	S	Bend	trans	-77.5	167.5	169.7	-71.4	-27.6	0	0	0	111.1	L245 F250 Y255 R256 R450	L245-D260 PolarHBondContact N-OD1 2.74Å; L245-D260 WeakPolarHBondContact O-CA 3.37Å; L245-D260 VanDerWaalsContact O-CB 3.3Å; L245-D260 WeakPolarHBondContact O-CB 3.45Å; F250-D260 HydrophobicContact CE1-CB 4.39Å; F250-D260 HydrophobicContact CE2-CB 3.94Å; F250-D260 HydrophobicContact CZ-CB 3.57Å; Y255-D260 HydrophobicContact CD2-CB 4.09Å; Y255-D260 HydrophobicContact CE2-CB 4.02Å; R256-D260 HydrophobicContact CB-CB 4.4Å; R256-D260 WeakPolarHBondContact CB-OD2 3.46Å; R256-D260 IonicContact CZ-OD1 3.59Å; R256-D260 IonicContact CZ-OD2 2.94Å; R256-D260 IonicContact NE-OD1 3.38Å; R256-D260 PolarHBondContact NE-OD1 2.9Å; R256-D260 IonicContact NE-OD2 3.62Å; R256-D260 PolarHBondContact NE-OD2 3.37Å; R256-D260 IonicContact NH2-OD1 3.81Å; R256-D260 PolarHBondContact NH2-OD1 3.04Å; R256-D260 IonicContact NH2-OD2 2.72Å; R256-D260 PolarHBondContact NH2-OD2 3.43Å; R256-D260 PolarHBondContact O-N 3.37Å; D260-R450 PolarHBondContact O-NH1 2.9Å; D260-R450 PolarHBondContact O-NH2 2.76Å
261	V	98.5	Very high	93	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.8	175.2	-177.1	0	0	0	0	108.2	L245 A246 G247 I263 F385 T443 I446 I447	L245-V261 PolarHBondContact O-N 2.84Å; A246-V261 CarbonylContact C-O 3.55Å; A246-V261 VanDerWaalsContact CA-O 3.3Å; A246-V261 WeakPolarHBondContact CA-O 2.89Å; G247-V261 PolarHBondContact N-O 3.41Å; V261-I263 HydrophobicContact CG1-CG2 4.12Å; V261-I263 PolarHBondContact O-N 3.17Å; V261-F385 HydrophobicContact CG1-CD1 4.05Å; V261-F385 HydrophobicContact CG1-CE1 4.19Å; V261-T443 HydrophobicContact CB-CG2 4.15Å; V261-T443 HydrophobicContact CG1-CG2 4.14Å; V261-T443 HydrophobicContact CG2-CG2 4.21Å; V261-I446 HydrophobicContact CG1-CD1 4.04Å; V261-I446 HydrophobicContact CG1-CG2 4.29Å; V261-I446 HydrophobicContact CG2-CG2 4.01Å; V261-I447 HydrophobicContact CG2-CD1 4.18Å; V261-I447 HydrophobicContact CG2-CG1 3.91Å
262	S	98.2	Very high	92.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.2	169.9	-170.4	0	0	0	0	109.4	G247 I382 L383 F385	G247-S262 WeakPolarHBondContact O-CA 3.45Å; S262-I382 PolarHBondContact OG-O 2.83Å; S262-L383 WeakPolarHBondContact CB-O 3.34Å; S262-L383 PolarHBondContact OG-O 3.39Å; S262-F385 VanDerWaalsContact O-CD1 3.27Å; S262-F385 WeakPolarHBondContact O-CD1 3.42Å; S262-F385 PolarHBondContact O-N 2.94Å
263	I	98.6	Very high	91.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.			trans	-121.4	160.5	-179.6	66	170.4	0	0	0	110.1	F222 M224 A246 G247 G248 V261 F385 I439 T443	F222-I263 HydrophobicContact CD1-CD1 4.26Å; M224-I263 HydrophobicContact CE-CD1 4.18Å; M224-I263 HydrophobicContact CG-CD1 3.87Å; A246-I263 HydrophobicContact CB-CD1 4.17Å; A246-I263 HydrophobicContact CB-CG2 3.88Å; A246-I263 WeakPolarHBondContact O-CD1 3.31Å; G247-I263 PolarHBondContact O-N 3.29Å; G248-I263 WeakPolarHBondContact CA-O 3.49Å; V261-I263 HydrophobicContact CG1-CG2 4.12Å; V261-I263 PolarHBondContact O-N 3.17Å; I263-F385 HydrophobicContact CB-CE1 4.4Å; I263-F385 HydrophobicContact CB-CZ 4.49Å; I263-F385 HydrophobicContact CG2-CE1 3.85Å; I263-F385 HydrophobicContact CG2-CZ 4.32Å; I263-I439 HydrophobicContact CB-CG2 4.11Å; I263-I439 HydrophobicContact CD1-CG2 4.43Å; I263-I439 HydrophobicContact CG2-CG2 4.46Å; I263-T443 WeakPolarHBondContact CG2-OG1 3.42Å
264	P	97.3	Very high	91.5	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.019	18%	0.179	C	C	.	.			trans	-78.9	150.4	176.5	31.5	-34	0	0	0	111.6	Y266 P384 F385 F433 I439	P264-Y266 PolarHBondContact O-N 3.28Å; P264-P384 HydrophobicContact CB-CB 3.92Å; P264-P384 HydrophobicContact CB-CG 3.81Å; P264-P384 HydrophobicContact CG-CB 4.39Å; P264-F385 HydrophobicContact CG-CE2 4.19Å; P264-F433 HydrophobicContact CB-CD1 3.43Å; P264-F433 VanDerWaalsContact CB-CD1 3.43Å; P264-F433 HydrophobicContact CB-CE1 3.34Å; P264-F433 HydrophobicContact CB-CG 4.11Å; P264-F433 HydrophobicContact CB-CZ 3.91Å; P264-F433 HydrophobicContact CG-CD1 3.87Å; P264-F433 HydrophobicContact CG-CD2 4.36Å; P264-F433 HydrophobicContact CG-CE1 4.06Å; P264-F433 HydrophobicContact CG-CE2 4.49Å; P264-F433 HydrophobicContact CG-CG 4.02Å; P264-F433 HydrophobicContact CG-CZ 4.33Å; P264-I439 HydrophobicContact CG-CD1 3.72Å; P264-I439 HydrophobicContact CG-CG1 3.65Å; P264-I439 HydrophobicContact CG-CG2 4.43Å
265	V	95.8	Very high	91.1	Very high	10 Å²	10	31.1 Å²	31.1	6%	0.061	17%	0.171	C	C	.	.			trans	-72	110.4	163.2	-176.9	0	0	0	0	107.7	M224 L225 S267 G360 A362	M224-V265 WeakPolarHBondContact O-CG2 3.3Å; L225-V265 HydrophobicContact CD2-CG1 3.7Å; L225-V265 HydrophobicContact CD2-CG2 4.45Å; V265-S267 PolarHBondContact O-N 3.47Å; V265-G360 VanDerWaalsContact CG2-C 3.5Å; V265-A362 HydrophobicContact CG1-CB 4.22Å
266	Y	95	Very high	90.7	Very high	31 Å²	31	34 Å²	34	12%	0.122	19%	0.194	C	C	.	.			trans	-59.5	134.9	179.7	177.5	-118	0	0	0	111.6	E162 P264 P268 A271 I436 I439	E162-Y266 HydrophobicContact CG-CD1 4.05Å; E162-Y266 HydrophobicContact CG-CE1 4.02Å; P264-Y266 PolarHBondContact O-N 3.28Å; Y266-P268 HydrophobicContact CD1-CG 4.28Å; Y266-P268 HydrophobicContact CE1-CG 4.19Å; Y266-A271 HydrophobicContact CE2-CB 4.04Å; Y266-A271 WeakPolarHBondContact OH-CB 2.99Å; Y266-I436 HydrophobicContact CD1-CD1 3.53Å; Y266-I436 HydrophobicContact CD1-CG1 3.97Å; Y266-I436 HydrophobicContact CD2-CD1 4.02Å; Y266-I436 HydrophobicContact CD2-CG1 4.34Å; Y266-I436 HydrophobicContact CE1-CD1 4.06Å; Y266-I436 HydrophobicContact CE1-CG1 3.95Å; Y266-I436 HydrophobicContact CE2-CG1 4.36Å; Y266-I436 HydrophobicContact CG-CD1 3.48Å; Y266-I436 VanDerWaalsContact CG-CD1 3.48Å; Y266-I436 HydrophobicContact CG-CG1 4.14Å; Y266-I439 HydrophobicContact CD2-CD1 4.19Å
267	S	93.1	Very high	90.1	Very high	2 Å²	2	43 Å²	43	1%	0.014	24%	0.236	C	C	.	.			trans	-106.3	110.5	172.9	-177.8	0	0	0	0	110.4	V265 L269 S270 A271 D366	V265-S267 PolarHBondContact O-N 3.47Å; S267-L269 PolarHBondContact O-N 2.92Å; S267-L269 PolarHBondContact OG-N 2.87Å; S267-S270 WeakPolarHBondContact CB-OG 3.4Å; S267-S270 PolarHBondContact O-N 3.15Å; S267-S270 PolarHBondContact OG-N 3.47Å; S267-A271 PolarHBondContact O-N 3.01Å; S267-D366 VanDerWaalsContact CB-OD1 3.31Å; S267-D366 WeakPolarHBondContact CB-OD1 3.47Å; S267-D366 PolarHBondContact OG-OD1 3.06Å; S267-D366 PolarHBondContact OG-OD2 3.15Å
268	P	88.4	Confident	90	Very high	48 Å²	48	39.1 Å²	39.1	31%	0.312	22%	0.217	S	C	.	.	H	α-helix	trans	-59.4	-27.4	169.4	-24.4	34.9	0	0	0	112.4	Y266 A271 E272	Y266-P268 HydrophobicContact CD1-CG 4.28Å; Y266-P268 HydrophobicContact CE1-CG 4.19Å; P268-A271 PolarHBondContact O-N 3.4Å; P268-E272 VanDerWaalsContact O-CB 3.29Å; P268-E272 WeakPolarHBondContact O-CB 3.34Å; P268-E272 VanDerWaalsContact O-CG 3.26Å; P268-E272 WeakPolarHBondContact O-CG 3.36Å; P268-E272 PolarHBondContact O-N 3.35Å
269	L	85.4	Confident	89.9	Confident	28 Å²	28	40.1 Å²	40.1	15%	0.147	23%	0.227	C	C	.	.	H	α-helix	trans	-68.3	-44.5	176.8	-59.4	170.9	0	0	0	111.2	S267 A271 E272 V273 I329 R330 Y341	S267-L269 PolarHBondContact O-N 2.92Å; S267-L269 PolarHBondContact OG-N 2.87Å; L269-A271 PolarHBondContact O-N 2.94Å; L269-E272 PolarHBondContact O-N 2.96Å; L269-V273 VanDerWaalsContact O-CB 3.31Å; L269-V273 WeakPolarHBondContact O-CB 3.22Å; L269-V273 WeakPolarHBondContact O-CG2 3.47Å; L269-V273 PolarHBondContact O-N 3.37Å; L269-I329 HydrophobicContact CD1-CG2 3.68Å; L269-I329 HydrophobicContact CD2-CG2 4.16Å; L269-I329 HydrophobicContact CG-CG2 4.42Å; L269-R330 HydrophobicContact CD2-CG 4Å; L269-Y341 HydrophobicContact CD1-CD1 4.17Å; L269-Y341 HydrophobicContact CD1-CE1 3.94Å
270	S	80.8	Confident	89.7	Confident	3 Å²	3	43 Å²	43	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-35.8	173.2	-63.8	0	0	0	0	112	S267 S365 D366 Q369 W429	S267-S270 WeakPolarHBondContact CB-OG 3.4Å; S267-S270 PolarHBondContact O-N 3.15Å; S267-S270 PolarHBondContact OG-N 3.47Å; S270-S365 PolarHBondContact OG-OG 2.79Å; S270-D366 PolarHBondContact N-OD1 2.95Å; S270-D366 WeakPolarHBondContact OG-CA 3.31Å; S270-D366 PolarHBondContact OG-N 2.83Å; S270-D366 PolarHBondContact OG-OD1 2.94Å; S270-Q369 PolarHBondContact O-NE2 3.21Å; S270-W429 WeakPolarHBondContact O-CZ2 3.38Å
271	A	76.5	Confident	89.4	Confident	46 Å²	46	43.3 Å²	43.3	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-82.7	-31.6	-177.3	0	0	0	0	0	113.7	Y266 S267 P268 L269	Y266-A271 HydrophobicContact CE2-CB 4.04Å; Y266-A271 WeakPolarHBondContact OH-CB 2.99Å; S267-A271 PolarHBondContact O-N 3.01Å; P268-A271 PolarHBondContact O-N 3.4Å; L269-A271 PolarHBondContact O-N 2.94Å
272	E	82.9	Confident	89	Confident	100 Å²	100	48.1 Å²	48.1	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-92.5	-21.7	-177.3	-71	175.5	-172.4	0	0	114.4	R161 P268 L269 R330	R161-E272 IonicContact NH1-OE1 3.38Å; R161-E272 IonicContact NH2-OE1 2.7Å; P268-E272 VanDerWaalsContact O-CB 3.29Å; P268-E272 WeakPolarHBondContact O-CB 3.34Å; P268-E272 VanDerWaalsContact O-CG 3.26Å; P268-E272 WeakPolarHBondContact O-CG 3.36Å; P268-E272 PolarHBondContact O-N 3.35Å; L269-E272 PolarHBondContact O-N 2.96Å; E272-R330 IonicContact OE2-NH2 3.59Å; E272-R330 PolarHBondContact OE2-NH2 3.14Å
273	V	84.1	Confident	88.9	Confident	8 Å²	8	49.8 Å²	49.8	5%	0.048	29%	0.287	C	S	.	.			trans	-99.5	108.2	179.5	179.1	0	0	0	0	109	L269 L275 P342 Q369	L269-V273 VanDerWaalsContact O-CB 3.31Å; L269-V273 WeakPolarHBondContact O-CB 3.22Å; L269-V273 WeakPolarHBondContact O-CG2 3.47Å; L269-V273 PolarHBondContact O-N 3.37Å; V273-L275 HydrophobicContact CG1-CD2 3.84Å; V273-L275 HydrophobicContact CG1-CG 4.38Å; V273-P342 HydrophobicContact CB-CG 4.33Å; V273-P342 HydrophobicContact CG1-CG 4.28Å; V273-Q369 PolarHBondContact O-NE2 3.05Å
274	D	84.4	Confident	88.7	Confident	152 Å²	152	58.2 Å²	58.2	81%	0.813	32%	0.318	S	S	*	.			trans	-71.4	128.4	165.8	-167.1	20.4	0	0	0	109.6
275	L	87.7	Confident	88.7	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.016	32%	0.32	C	S	.	.			trans	-109.2	130.3	-179.7	-71	-175.2	0	0	0	108.7	V273 E277 P342 Q343 Q346 Q369 A370	V273-L275 HydrophobicContact CG1-CD2 3.84Å; V273-L275 HydrophobicContact CG1-CG 4.38Å; L275-E277 PolarHBondContact O-N 2.95Å; L275-P342 HydrophobicContact CD1-CG 4.38Å; L275-P342 HydrophobicContact CD2-CG 4.38Å; L275-Q343 HydrophobicContact CD2-CB 4.31Å; L275-Q343 HydrophobicContact CD2-CG 3.76Å; L275-Q346 HydrophobicContact CD1-CG 4.09Å; L275-Q369 HydrophobicContact CD1-CG 3.96Å; L275-A370 HydrophobicContact CD1-CB 4.2Å
276	P	87.5	Confident	88.8	Confident	91 Å²	91	60.3 Å²	60.3	59%	0.591	33%	0.326	S	S	*	.			trans	-57.5	140.3	179.7	25.6	-35.2	0	0	0	110.8	K278 Q346	P276-K278 PolarHBondContact O-N 2.85Å; P276-Q346 PolarHBondContact O-NE2 2.93Å
277	E	83.5	Confident	89	Confident	192 Å²	192	58.9 Å²	58.9	90%	0.897	32%	0.321	S	S	*	.			trans	-57.7	122.8	178.3	-71.4	-169.5	166.8	0	0	110.9	L275	L275-E277 PolarHBondContact O-N 2.95Å
278	K	88.6	Confident	89.2	Confident	71 Å²	71	58.8 Å²	58.8	31%	0.309	32%	0.32	S	S	.	.			trans	-131.5	95.2	-179.9	-157.8	-178.8	-174.8	176.4	0	109.9	P276 R283 Q346 E347	P276-K278 PolarHBondContact O-N 2.85Å; K278-R283 PolarHBondContact O-NH2 3.02Å; K278-Q346 HydrophobicContact CD-CB 3.93Å; K278-Q346 WeakPolarHBondContact CD-O 3.18Å; K278-Q346 WeakPolarHBondContact CE-O 3.42Å; K278-Q346 PolarHBondContact NZ-O 3.44Å; K278-E347 IonicContact NZ-OE1 3.81Å; K278-E347 PolarHBondContact NZ-OE1 2.91Å; K278-E347 IonicContact NZ-OE2 2.76Å; K278-E347 PolarHBondContact NZ-OE2 2.97Å
279	G	88.4	Confident	89.6	Confident	52 Å²	52	56.6 Å²	56.6	54%	0.536	31%	0.306	S	S	.	.			trans	-54.1	163.8	-179	0	0	0	0	0	113.7	R283	G279-R283 PolarHBondContact O-NH1 3.14Å; G279-R283 PolarHBondContact O-NH2 3.36Å; G279-R283 VanDerWaalsContact O-NH2 3.14Å
280	P	90.9	Very high	90	Very high	62 Å²	62	55.4 Å²	55.4	40%	0.403	30%	0.299	S	S	.	.	S	Bend	trans	-63.1	153.5	-178.9	30.8	-38.3	0	0	0	111.8	E419 Q422 R423	P280-E419 HydrophobicContact CB-CB 3.98Å; P280-E419 HydrophobicContact CB-CG 4.18Å; P280-E419 WeakPolarHBondContact CB-O 3.49Å; P280-Q422 VanDerWaalsContact CA-OE1 3.26Å; P280-Q422 HydrophobicContact CB-CB 4.26Å; P280-R423 HydrophobicContact CB-CG 4.14Å; P280-R423 HydrophobicContact CG-CG 3.86Å
281	G	91.5	Very high	90.6	Very high	6 Å²	6	55.8 Å²	55.8	6%	0.062	30%	0.301	C	S	.	.	S	Bend	trans	148.2	-177.3	177.8	0	0	0	0	0	113	Q422	G281-Q422 PolarHBondContact O-NE2 3.11Å; G281-Q422 VanDerWaalsContact O-NE2 3.13Å; G281-Q422 PolarHBondContact O-OE1 2.91Å
282	P	91.1	Very high	91.2	Very high	103 Å²	103	57 Å²	57	67%	0.669	30%	0.304	S	S	*	.			trans	-61.3	150.1	174.9	27.4	-34.8	0	0	0	111.4
283	R	94.9	Very high	91.2	Very high	35 Å²	35	55.8 Å²	55.8	13%	0.132	32%	0.318	C	S	.	.			trans	-125.4	167	-176.3	-57	-67.3	-157.8	-135.4	7.1	110.2	K278 G279 Q346 E347 A348 T349	K278-R283 PolarHBondContact O-NH2 3.02Å; G279-R283 PolarHBondContact O-NH1 3.14Å; G279-R283 PolarHBondContact O-NH2 3.36Å; G279-R283 VanDerWaalsContact O-NH2 3.14Å; R283-Q346 WeakPolarHBondContact CD-O 3.42Å; R283-Q346 PolarHBondContact NE-O 2.92Å; R283-E347 WeakPolarHBondContact CB-O 3.22Å; R283-A348 VanDerWaalsContact CB-C 3.49Å; R283-A348 WeakPolarHBondContact CG-O 3.41Å; R283-T349 WeakPolarHBondContact CB-OG1 3.33Å
284	R	95.4	Very high	91.4	Very high	176 Å²	176	57 Å²	57	66%	0.664	32%	0.324	S	S	*	.	S	Bend	trans	-62.9	-44.4	-177.8	178.1	179.2	177.5	-173.8	-1.2	112.1	E347	R284-E347 HydrophobicContact CB-CB 4.37Å; R284-E347 PolarHBondContact N-O 3.27Å; R284-E347 VanDerWaalsContact N-O 3.13Å
285	Y	97.6	Very high	91.7	Very high	16 Å²	16	54.4 Å²	54.4	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.2	176.7	-57.9	-75.1	0	0	0	109	I288 E311 L314 E347 A348 T349	Y285-I288 HydrophobicContact CD2-CD1 3.86Å; Y285-I288 HydrophobicContact CD2-CG1 4.42Å; Y285-I288 HydrophobicContact CG-CD1 4.22Å; Y285-I288 HydrophobicContact CG-CG1 4.28Å; Y285-E311 WeakPolarHBondContact CD1-O 3.24Å; Y285-L314 HydrophobicContact CD1-CB 3.76Å; Y285-L314 HydrophobicContact CD1-CD2 4.24Å; Y285-L314 HydrophobicContact CD2-CD2 4.24Å; Y285-L314 HydrophobicContact CE1-CB 3.93Å; Y285-L314 HydrophobicContact CE1-CD2 3.83Å; Y285-L314 HydrophobicContact CE1-CG 4.42Å; Y285-L314 HydrophobicContact CE2-CD2 3.82Å; Y285-L314 HydrophobicContact CG-CB 4.27Å; Y285-L314 HydrophobicContact CG-CD2 4.43Å; Y285-E347 HydrophobicContact CD2-CB 3.84Å; Y285-E347 WeakPolarHBondContact CD2-O 3.21Å; Y285-E347 HydrophobicContact CE2-CB 4.1Å; Y285-E347 PolarHBondContact N-O 3.24Å; Y285-A348 VanDerWaalsContact O-CA 3.31Å; Y285-A348 WeakPolarHBondContact O-CA 3.2Å; Y285-T349 PolarHBondContact O-N 2.71Å
286	F	97.8	Very high	91.9	Very high	42 Å²	42	57.9 Å²	57.9	18%	0.184	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-44.9	171.8	-174.4	-109	0	0	0	110.1	S312 F350 Y407 L410 Q411	F286-S312 WeakPolarHBondContact CA-O 3.18Å; F286-S312 WeakPolarHBondContact CB-O 3.14Å; F286-S312 PolarHBondContact N-O 3.48Å; F286-F350 HydrophobicContact CD2-CD2 4.3Å; F286-F350 HydrophobicContact CD2-CE2 4.41Å; F286-F350 HydrophobicContact CE1-CD2 4.21Å; F286-F350 HydrophobicContact CE1-CE2 4.39Å; F286-F350 AromaticContact CE2-CD2 3.94Å; F286-F350 HydrophobicContact CE2-CD2 3.94Å; F286-F350 AromaticContact CE2-CE2 3.66Å; F286-F350 HydrophobicContact CE2-CE2 3.66Å; F286-F350 AromaticContact CZ-CD2 3.9Å; F286-F350 HydrophobicContact CZ-CD2 3.9Å; F286-F350 AromaticContact CZ-CE2 3.66Å; F286-F350 HydrophobicContact CZ-CE2 3.66Å; F286-F350 WeakPolarHBondContact O-CB 3.48Å; F286-F350 PolarHBondContact O-N 3.3Å; F286-Y407 AromaticContact CD1-CD2 3.81Å; F286-Y407 HydrophobicContact CD1-CD2 3.81Å; F286-Y407 AromaticContact CD1-CE2 3.41Å; F286-Y407 HydrophobicContact CD1-CE2 3.41Å; F286-Y407 VanDerWaalsContact CD1-CE2 3.41Å; F286-Y407 AromaticContact CD1-CZ 3.94Å; F286-Y407 HydrophobicContact CE1-CD2 4.04Å; F286-Y407 AromaticContact CE1-CE2 3.94Å; F286-Y407 HydrophobicContact CE1-CE2 3.94Å; F286-Y407 HydrophobicContact CE1-CG 4.44Å; F286-Y407 HydrophobicContact CG-CE2 4.27Å; F286-L410 HydrophobicContact CE1-CB 3.78Å; F286-L410 HydrophobicContact CE1-CD1 4.46Å; F286-L410 HydrophobicContact CZ-CB 3.77Å; F286-Q411 HydrophobicContact CE1-CG 4.2Å; F286-Q411 HydrophobicContact CZ-CG 3.96Å
287	L	97.9	Very high	92.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.5	-177.1	-171	66.6	0	0	0	111.6	S312 V313 L314 F350 V352 V375 V406 L410	L287-S312 PolarHBondContact N-O 3.43Å; L287-V313 HydrophobicContact CB-CG1 4.49Å; L287-V313 HydrophobicContact CB-CG2 4.27Å; L287-V313 WeakPolarHBondContact O-CA 3.36Å; L287-L314 PolarHBondContact O-N 2.87Å; L287-F350 CarbonylContact C-O 3.59Å; L287-F350 WeakPolarHBondContact CA-O 3.43Å; L287-F350 HydrophobicContact CD1-CB 3.63Å; L287-V352 HydrophobicContact CD1-CG2 3.63Å; L287-V352 HydrophobicContact CD2-CG2 4.17Å; L287-V352 HydrophobicContact CG-CG2 3.91Å; L287-V375 HydrophobicContact CD1-CG2 4.34Å; L287-V406 HydrophobicContact CD2-CG1 4.3Å; L287-L410 HydrophobicContact CD1-CD1 3.86Å
288	I	97.9	Very high	92.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.8	168	-80	180	0	0	0	111	Y285 L314 L316 V344 L345 A348 F350 C351 V352	Y285-I288 HydrophobicContact CD2-CD1 3.86Å; Y285-I288 HydrophobicContact CD2-CG1 4.42Å; Y285-I288 HydrophobicContact CG-CD1 4.22Å; Y285-I288 HydrophobicContact CG-CG1 4.28Å; I288-L314 WeakPolarHBondContact CA-O 3.24Å; I288-L314 HydrophobicContact CD1-CD2 4.08Å; I288-L314 HydrophobicContact CG1-CB 3.99Å; I288-L314 HydrophobicContact CG1-CD2 4.3Å; I288-L314 HydrophobicContact CG1-CG 4.37Å; I288-L316 HydrophobicContact CG2-CD1 4.2Å; I288-V344 HydrophobicContact CD1-CG2 4.03Å; I288-L345 HydrophobicContact CG2-CD2 4.04Å; I288-A348 HydrophobicContact CB-CB 3.8Å; I288-A348 HydrophobicContact CD1-CB 3.67Å; I288-A348 HydrophobicContact CG1-CB 3.67Å; I288-F350 PolarHBondContact N-O 2.99Å; I288-C351 CarbonylContact O-C 3.42Å; I288-C351 WeakPolarHBondContact O-CA 3.48Å; I288-V352 PolarHBondContact O-N 3.31Å
289	S	96.5	Very high	92.7	Very high	2 Å²	2	53 Å²	53	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.5	157.4	-179.1	0	0	0	0	109.4	L302 L314 L316	S289-L302 VanDerWaalsContact OG-CD1 3.25Å; S289-L302 WeakPolarHBondContact OG-CD1 3.25Å; S289-L314 PolarHBondContact N-O 3.22Å; S289-L316 WeakPolarHBondContact O-CB 3.45Å; S289-L316 PolarHBondContact O-N 3.02Å
290	S	94.8	Very high	92.9	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.014	30%	0.298	C	S	.	.			trans	-138.8	9.1	-174.7	65.6	0	0	0	0	115.2	R332 I363	S290-R332 PolarHBondContact O-NE 3.31Å; S290-I363 VanDerWaalsContact OG-CD1 3.26Å; S290-I363 WeakPolarHBondContact OG-CD1 3.17Å
291	Q	92.1	Very high	93.1	Very high	12 Å²	12	57 Å²	57	6%	0.056	30%	0.296	C	S	.	.			trans	-73	135.2	172.1	-73.9	168.5	-90.4	0	0	110.2	L294 V352 L354 I363	Q291-L294 HydrophobicContact CB-CD1 4.36Å; Q291-L294 HydrophobicContact CB-CD2 3.77Å; Q291-L294 HydrophobicContact CB-CG 4.05Å; Q291-V352 PolarHBondContact OE1-O 2.91Å; Q291-L354 PolarHBondContact NE2-O 3.45Å; Q291-I363 HydrophobicContact CG-CD1 3.51Å; Q291-I363 HydrophobicContact CG-CG1 4.4Å; Q291-I363 HydrophobicContact CG-CG2 3.98Å
292	V	89.3	Confident	93.2	Very high	72 Å²	72	56.8 Å²	56.8	44%	0.436	29%	0.294	S	S	.	.	S	Bend	trans	-98.9	145.7	179.4	-60.7	0	0	0	0	110.2	K318	V292-K318 HydrophobicContact CB-CB 4.35Å; V292-K318 HydrophobicContact CG1-CB 4.14Å
293	G	84.1	Confident	93.3	Very high	74 Å²	74	55.9 Å²	55.9	76%	0.763	28%	0.28	S	S	*	.	S	Bend	trans	68.4	34.9	178.5	0	0	0	0	0	114.2
294	L	88	Confident	93.3	Very high	32 Å²	32	56.9 Å²	56.9	17%	0.168	30%	0.296	C	S	.	.			trans	-60.6	155	171	-69.4	172.8	0	0	0	111.8	Q291 L302 L354	Q291-L294 HydrophobicContact CB-CD1 4.36Å; Q291-L294 HydrophobicContact CB-CD2 3.77Å; Q291-L294 HydrophobicContact CB-CG 4.05Å; L294-L302 HydrophobicContact CD1-CD1 3.57Å; L294-L354 HydrophobicContact CD1-CD1 4.09Å; L294-L354 HydrophobicContact CD2-CB 4.07Å; L294-L354 HydrophobicContact CD2-CD1 4.12Å
295	H	90.5	Very high	93.3	Very high	99 Å²	99	48.8 Å²	48.8	46%	0.458	27%	0.266	S	S	.	.			trans	-59	143.4	169.5	-164.3	-114.3	0	0	0	110.1	E297 Y298 R299	H295-E297 VanDerWaalsContact C-N 3.27Å; H295-E297 VanDerWaalsContact CE1-CD 3.46Å; H295-E297 IonicContact CE1-OE1 3.89Å; H295-E297 IonicContact CE1-OE2 2.66Å; H295-E297 PolarHBondContact CE1-OE2 2.99Å; H295-E297 VanDerWaalsContact CE1-OE2 3.24Å; H295-E297 IonicContact ND1-OE2 3.53Å; H295-E297 PolarHBondContact ND1-OE2 2.87Å; H295-E297 VanDerWaalsContact ND1-OE2 3.15Å; H295-E297 PolarHBondContact O-N 3.13Å; H295-Y298 HydrophobicContact CB-CD2 3.7Å; H295-Y298 HydrophobicContact CB-CE2 4.14Å; H295-Y298 PolarHBondContact O-N 2.92Å; H295-R299 PolarHBondContact O-N 3.39Å; H295-R299 VanDerWaalsContact O-N 3.1Å
296	P	91.4	Very high	93.2	Very high	76 Å²	76	49.5 Å²	49.5	49%	0.494	27%	0.27	S	S	.	.	H	α-helix	trans	-53.2	-40.6	-178.6	-29.7	37.4	0	0	0	113.9	R299 E300	P296-R299 WeakPolarHBondContact O-CA 3.09Å; P296-R299 VanDerWaalsContact O-CB 3.31Å; P296-R299 WeakPolarHBondContact O-CB 3.44Å; P296-R299 PolarHBondContact O-N 3.17Å; P296-R299 VanDerWaalsContact O-N 3.14Å; P296-E300 WeakPolarHBondContact O-CG 3.26Å; P296-E300 PolarHBondContact O-N 2.82Å
297	E	91.1	Very high	93.1	Very high	123 Å²	123	53.7 Å²	53.7	58%	0.575	30%	0.298	S	S	*	.	H	α-helix	trans	-60.3	-54.2	179.4	-65.4	163.1	175.3	0	0	112.2	H295 R299 E300 D301	H295-E297 VanDerWaalsContact C-N 3.27Å; H295-E297 VanDerWaalsContact CE1-CD 3.46Å; H295-E297 IonicContact CE1-OE1 3.89Å; H295-E297 IonicContact CE1-OE2 2.66Å; H295-E297 PolarHBondContact CE1-OE2 2.99Å; H295-E297 VanDerWaalsContact CE1-OE2 3.24Å; H295-E297 IonicContact ND1-OE2 3.53Å; H295-E297 PolarHBondContact ND1-OE2 2.87Å; H295-E297 VanDerWaalsContact ND1-OE2 3.15Å; H295-E297 PolarHBondContact O-N 3.13Å; E297-R299 PolarHBondContact O-N 3.36Å; E297-E300 PolarHBondContact O-N 3.18Å; E297-E300 VanDerWaalsContact O-N 3.1Å; E297-D301 PolarHBondContact O-N 2.89Å
298	Y	92.7	Very high	93	Very high	34 Å²	34	60.5 Å²	60.5	13%	0.133	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-29.4	175.7	-58.2	-50.4	0	0	0	112.5	H295 L302 L354 R355 E400 M403	H295-Y298 HydrophobicContact CB-CD2 3.7Å; H295-Y298 HydrophobicContact CB-CE2 4.14Å; H295-Y298 PolarHBondContact O-N 2.92Å; Y298-L302 WeakPolarHBondContact O-CB 3.35Å; Y298-L302 VanDerWaalsContact O-CG 3.24Å; Y298-L302 WeakPolarHBondContact O-CG 3.3Å; Y298-L302 PolarHBondContact O-N 2.89Å; Y298-L302 VanDerWaalsContact O-N 3.13Å; Y298-L354 HydrophobicContact CD1-CD2 3.87Å; Y298-L354 HydrophobicContact CD2-CD2 4.49Å; Y298-L354 HydrophobicContact CE1-CD2 4.26Å; Y298-L354 HydrophobicContact CG-CD2 4Å; Y298-R355 HydrophobicContact CE2-CB 4.37Å; Y298-E400 PolarHBondContact OH-OE2 3.45Å; Y298-M403 HydrophobicContact CD1-SD 3.72Å; Y298-M403 HydrophobicContact CG-SD 4.49Å; Y298-M403 VanDerWaalsContact O-CE 3.31Å; Y298-M403 WeakPolarHBondContact O-CE 3.14Å
299	R	92.3	Very high	92.8	Very high	94 Å²	94	62.6 Å²	62.6	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-69.5	-46.6	175.2	-173	-166	-172	108.6	14.9	111	H295 P296 E297 D301 L302 E303 D317	H295-R299 PolarHBondContact O-N 3.39Å; H295-R299 VanDerWaalsContact O-N 3.1Å; P296-R299 WeakPolarHBondContact O-CA 3.09Å; P296-R299 VanDerWaalsContact O-CB 3.31Å; P296-R299 WeakPolarHBondContact O-CB 3.44Å; P296-R299 PolarHBondContact O-N 3.17Å; P296-R299 VanDerWaalsContact O-N 3.14Å; E297-R299 PolarHBondContact O-N 3.36Å; R299-D301 VanDerWaalsContact C-N 3.33Å; R299-D301 PolarHBondContact O-N 3.26Å; R299-L302 PolarHBondContact O-N 3.43Å; R299-E303 HydrophobicContact CG-CG 4.43Å; R299-E303 WeakPolarHBondContact CG-OE1 3.46Å; R299-E303 IonicContact CZ-OE1 2.79Å; R299-E303 IonicContact NE-OE1 3.55Å; R299-E303 PolarHBondContact NE-OE1 2.83Å; R299-E303 IonicContact NH2-OE1 2.66Å; R299-E303 WeakPolarHBondContact O-CB 3.27Å; R299-E303 WeakPolarHBondContact O-CG 3.04Å; R299-E303 PolarHBondContact O-N 3.39Å; R299-D317 IonicContact CZ-OD2 3.27Å; R299-D317 VanDerWaalsContact CZ-OD2 3.27Å; R299-D317 IonicContact NH1-OD2 2.71Å; R299-D317 PolarHBondContact NH1-OD2 3.07Å; R299-D317 IonicContact NH2-OD2 2.95Å; R299-D317 PolarHBondContact NH2-OD2 2.87Å
300	E	93.4	Very high	92.7	Very high	130 Å²	130	64.2 Å²	64.2	61%	0.607	36%	0.355	S	S	*	.	H	α-helix	trans	-60.2	-42.5	177.7	-73.8	173.4	-160.8	0	0	111.1	P296 E297 E303 A304	P296-E300 WeakPolarHBondContact O-CG 3.26Å; P296-E300 PolarHBondContact O-N 2.82Å; E297-E300 PolarHBondContact O-N 3.18Å; E297-E300 VanDerWaalsContact O-N 3.1Å; E300-E303 PolarHBondContact O-N 2.94Å; E300-A304 VanDerWaalsContact O-CB 3.3Å; E300-A304 WeakPolarHBondContact O-CB 3.35Å; E300-A304 PolarHBondContact O-N 2.96Å
301	D	93.9	Very high	92.5	Very high	67 Å²	67	72.6 Å²	72.6	36%	0.358	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-43.8	174.5	-78.8	-32.8	0	0	0	112.9	E297 R299 A304 L305 M403	E297-D301 PolarHBondContact O-N 2.89Å; R299-D301 VanDerWaalsContact C-N 3.33Å; R299-D301 PolarHBondContact O-N 3.26Å; D301-A304 PolarHBondContact O-N 2.96Å; D301-L305 WeakPolarHBondContact O-CG 3.3Å; D301-L305 PolarHBondContact O-N 3.09Å; D301-M403 HydrophobicContact CB-CE 3.8Å; D301-M403 HydrophobicContact CB-CG 4.18Å; D301-M403 HydrophobicContact CB-SD 4.06Å
302	L	94.5	Very high	92.7	Very high	3 Å²	3	74.3 Å²	74.3	2%	0.016	41%	0.407	C	S	.	.	H	α-helix	trans	-63.9	-41.6	175.3	-76.4	173.1	0	0	0	112.4	S289 L294 Y298 R299 L305 Q306 V315 V352 L354 M403	S289-L302 VanDerWaalsContact OG-CD1 3.25Å; S289-L302 WeakPolarHBondContact OG-CD1 3.25Å; L294-L302 HydrophobicContact CD1-CD1 3.57Å; Y298-L302 WeakPolarHBondContact O-CB 3.35Å; Y298-L302 VanDerWaalsContact O-CG 3.24Å; Y298-L302 WeakPolarHBondContact O-CG 3.3Å; Y298-L302 PolarHBondContact O-N 2.89Å; Y298-L302 VanDerWaalsContact O-N 3.13Å; R299-L302 PolarHBondContact O-N 3.43Å; L302-L305 PolarHBondContact O-N 2.95Å; L302-Q306 PolarHBondContact O-N 3.34Å; L302-V315 HydrophobicContact CB-CG1 4.21Å; L302-V315 HydrophobicContact CB-CG2 3.86Å; L302-V315 HydrophobicContact CD1-CG1 4.38Å; L302-V352 HydrophobicContact CD2-CG2 4.36Å; L302-L354 HydrophobicContact CD1-CD1 3.73Å; L302-L354 HydrophobicContact CG-CD1 4.3Å; L302-M403 HydrophobicContact CD1-CE 4.42Å; L302-M403 HydrophobicContact CD2-CE 3.93Å; L302-M403 HydrophobicContact CG-CE 3.6Å
303	E	93.7	Very high	93.1	Very high	83 Å²	83	71 Å²	71	39%	0.388	39%	0.387	S	S	.	.	H	α-helix	trans	-68.2	-37	177.4	-72.1	-179.1	-171.3	0	0	110.8	R299 E300 Q306 V307	R299-E303 HydrophobicContact CG-CG 4.43Å; R299-E303 WeakPolarHBondContact CG-OE1 3.46Å; R299-E303 IonicContact CZ-OE1 2.79Å; R299-E303 IonicContact NE-OE1 3.55Å; R299-E303 PolarHBondContact NE-OE1 2.83Å; R299-E303 IonicContact NH2-OE1 2.66Å; R299-E303 WeakPolarHBondContact O-CB 3.27Å; R299-E303 WeakPolarHBondContact O-CG 3.04Å; R299-E303 PolarHBondContact O-N 3.39Å; E300-E303 PolarHBondContact O-N 2.94Å; E303-Q306 PolarHBondContact O-N 2.9Å; E303-V307 WeakPolarHBondContact O-CG2 3.5Å; E303-V307 PolarHBondContact O-N 2.98Å
304	A	95.1	Very high	93.7	Very high	56 Å²	56	67.7 Å²	67.7	46%	0.463	35%	0.352	S	S	.	.	H	α-helix	trans	-64.1	-43.2	172.5	0	0	0	0	0	112.5	E300 D301 Q306 V307 K308	E300-A304 VanDerWaalsContact O-CB 3.3Å; E300-A304 WeakPolarHBondContact O-CB 3.35Å; E300-A304 PolarHBondContact O-N 2.96Å; D301-A304 PolarHBondContact O-N 2.96Å; A304-Q306 VanDerWaalsContact C-N 3.31Å; A304-Q306 PolarHBondContact O-N 3.22Å; A304-V307 PolarHBondContact O-N 3.21Å; A304-K308 WeakPolarHBondContact O-CB 3.49Å; A304-K308 PolarHBondContact O-N 3.26Å
305	L	94.6	Very high	94	Very high	6 Å²	6	66.8 Å²	66.8	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-59.6	-42	171.7	-73.7	167.1	0	0	0	111.4	D301 L302 K308 H309 V406	D301-L305 WeakPolarHBondContact O-CG 3.3Å; D301-L305 PolarHBondContact O-N 3.09Å; L302-L305 PolarHBondContact O-N 2.95Å; L305-K308 PolarHBondContact O-N 3.04Å; L305-H309 WeakPolarHBondContact O-CB 3.14Å; L305-H309 PolarHBondContact O-CD2 2.66Å; L305-H309 PolarHBondContact O-N 2.99Å; L305-V406 HydrophobicContact CD1-CG1 3.5Å; L305-V406 HydrophobicContact CD2-CG1 4.25Å
306	Q	94.9	Very high	94.2	Very high	31 Å²	31	62.2 Å²	62.2	15%	0.145	33%	0.327	C	S	.	.	H	α-helix	trans	-66.8	-39.2	177.3	-171.9	169.7	29	0	0	112.8	L302 E303 A304 K308 G310 V313 V315 H334	L302-Q306 PolarHBondContact O-N 3.34Å; E303-Q306 PolarHBondContact O-N 2.9Å; A304-Q306 VanDerWaalsContact C-N 3.31Å; A304-Q306 PolarHBondContact O-N 3.22Å; Q306-K308 VanDerWaalsContact C-N 3.34Å; Q306-G310 WeakPolarHBondContact O-CA 3.27Å; Q306-G310 PolarHBondContact O-N 2.79Å; Q306-V313 HydrophobicContact CB-CB 4.39Å; Q306-V313 HydrophobicContact CB-CG1 4.13Å; Q306-V313 HydrophobicContact CG-CB 4.49Å; Q306-V313 WeakPolarHBondContact CG-O 3.41Å; Q306-V313 PolarHBondContact NE2-O 3.28Å; Q306-V315 HydrophobicContact CB-CG2 4.1Å; Q306-H334 PolarHBondContact NE2-CE1 2.88Å; Q306-H334 PolarHBondContact OE1-CE1 3.49Å
307	V	95.5	Very high	94.1	Very high	130 Å²	130	60.3 Å²	60.3	79%	0.788	31%	0.313	S	S	*	.	H	α-helix	trans	-63.4	-40.5	173.8	169.3	0	0	0	0	111.3	E303 A304	E303-V307 WeakPolarHBondContact O-CG2 3.5Å; E303-V307 PolarHBondContact O-N 2.98Å; A304-V307 PolarHBondContact O-N 3.21Å
308	K	95.9	Very high	94	Very high	144 Å²	144	59.8 Å²	59.8	63%	0.626	31%	0.308	S	S	*	.	H	α-helix	trans	-72.3	-34.1	-178.5	-175.3	179.7	171	-170.5	0	113.6	A304 L305 Q306	A304-K308 WeakPolarHBondContact O-CB 3.49Å; A304-K308 PolarHBondContact O-N 3.26Å; L305-K308 PolarHBondContact O-N 3.04Å; Q306-K308 VanDerWaalsContact C-N 3.34Å
309	H	94.8	Very high	93.7	Very high	44 Å²	44	58.9 Å²	58.9	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-115.6	1.3	-171.3	-62.5	-69.7	0	0	0	114.7	L305 S312 V313 Y407	L305-H309 WeakPolarHBondContact O-CB 3.14Å; L305-H309 PolarHBondContact O-CD2 2.66Å; L305-H309 PolarHBondContact O-N 2.99Å; H309-S312 PolarHBondContact O-N 3.43Å; H309-V313 HydrophobicContact CB-CG2 3.72Å; H309-Y407 HydrophobicContact CB-CD2 4.16Å; H309-Y407 HydrophobicContact CB-CE2 3.77Å; H309-Y407 AromaticContact CD2-CD2 3.77Å; H309-Y407 AromaticContact CD2-CG 3.68Å; H309-Y407 AromaticContact CE1-CD1 3.24Å; H309-Y407 WeakPolarHBondContact CE1-CD1 3.35Å; H309-Y407 AromaticContact CE1-CE1 3.49Å; H309-Y407 VanDerWaalsContact CE1-CE1 3.49Å; H309-Y407 WeakPolarHBondContact CE1-CE1 3.38Å; H309-Y407 AromaticContact CE1-CG 3.69Å; H309-Y407 AromaticContact CG-CD1 3.98Å; H309-Y407 AromaticContact CG-CD2 3.73Å; H309-Y407 AromaticContact CG-CE1 3.91Å; H309-Y407 AromaticContact CG-CE2 3.67Å; H309-Y407 AromaticContact CG-CG 3.89Å; H309-Y407 AromaticContact CG-CZ 3.78Å; H309-Y407 AromaticContact ND1-CD1 3.51Å; H309-Y407 AromaticContact ND1-CE1 3.28Å; H309-Y407 VanDerWaalsContact ND1-CE1 3.28Å; H309-Y407 WeakPolarHBondContact ND1-CE1 3.45Å; H309-Y407 AromaticContact ND1-CE2 3.91Å; H309-Y407 AromaticContact ND1-CG 3.9Å; H309-Y407 AromaticContact ND1-CZ 3.52Å; H309-Y407 AromaticContact NE2-CD1 3.62Å; H309-Y407 AromaticContact NE2-CG 3.58Å
310	G	93.5	Very high	93	Very high	37 Å²	37	60.2 Å²	60.2	38%	0.381	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	61.8	-138.2	170.6	0	0	0	0	0	113.6	Q306 S312 V313	Q306-G310 WeakPolarHBondContact O-CA 3.27Å; Q306-G310 PolarHBondContact O-N 2.79Å; G310-S312 PolarHBondContact O-N 2.99Å; G310-S312 VanDerWaalsContact O-N 3.14Å; G310-V313 PolarHBondContact O-N 3.23Å
311	E	91.6	Very high	91.8	Very high	177 Å²	177	60.6 Å²	60.6	83%	0.827	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-66.8	-12.4	-175.6	-58.3	-165.7	159.7	0	0	114.3	Y285 V313	Y285-E311 WeakPolarHBondContact CD1-O 3.24Å; E311-V313 PolarHBondContact O-N 3.06Å
312	S	95.4	Very high	90.6	Very high	48 Å²	48	60.4 Å²	60.4	34%	0.336	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-68.3	-20.6	174.6	-56.7	0	0	0	0	113.1	F286 L287 H309 G310	F286-S312 WeakPolarHBondContact CA-O 3.18Å; F286-S312 WeakPolarHBondContact CB-O 3.14Å; F286-S312 PolarHBondContact N-O 3.48Å; L287-S312 PolarHBondContact N-O 3.43Å; H309-S312 PolarHBondContact O-N 3.43Å; G310-S312 PolarHBondContact O-N 2.99Å; G310-S312 VanDerWaalsContact O-N 3.14Å
313	V	97.1	Very high	88.8	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.012	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.3	179	-178.7	0	0	0	0	109.4	L287 Q306 H309 G310 E311 V315 Y407	L287-V313 HydrophobicContact CB-CG1 4.49Å; L287-V313 HydrophobicContact CB-CG2 4.27Å; L287-V313 WeakPolarHBondContact O-CA 3.36Å; Q306-V313 HydrophobicContact CB-CB 4.39Å; Q306-V313 HydrophobicContact CB-CG1 4.13Å; Q306-V313 HydrophobicContact CG-CB 4.49Å; Q306-V313 WeakPolarHBondContact CG-O 3.41Å; Q306-V313 PolarHBondContact NE2-O 3.28Å; H309-V313 HydrophobicContact CB-CG2 3.72Å; G310-V313 PolarHBondContact O-N 3.23Å; E311-V313 PolarHBondContact O-N 3.06Å; V313-V315 HydrophobicContact CG1-CG2 4.48Å; V313-Y407 HydrophobicContact CG2-CD2 3.94Å; V313-Y407 HydrophobicContact CG2-CE2 3.84Å
314	L	96.9	Very high	86.9	Confident	6 Å²	6	70.6 Å²	70.6	3%	0.031	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	113.2	178.4	170.7	64.1	0	0	0	111	Y285 L287 I288 S289 L316 H334 F339	Y285-L314 HydrophobicContact CD1-CB 3.76Å; Y285-L314 HydrophobicContact CD1-CD2 4.24Å; Y285-L314 HydrophobicContact CD2-CD2 4.24Å; Y285-L314 HydrophobicContact CE1-CB 3.93Å; Y285-L314 HydrophobicContact CE1-CD2 3.83Å; Y285-L314 HydrophobicContact CE1-CG 4.42Å; Y285-L314 HydrophobicContact CE2-CD2 3.82Å; Y285-L314 HydrophobicContact CG-CB 4.27Å; Y285-L314 HydrophobicContact CG-CD2 4.43Å; L287-L314 PolarHBondContact O-N 2.87Å; I288-L314 WeakPolarHBondContact CA-O 3.24Å; I288-L314 HydrophobicContact CD1-CD2 4.08Å; I288-L314 HydrophobicContact CG1-CB 3.99Å; I288-L314 HydrophobicContact CG1-CD2 4.3Å; I288-L314 HydrophobicContact CG1-CG 4.37Å; S289-L314 PolarHBondContact N-O 3.22Å; L314-L316 HydrophobicContact CD1-CD2 4.03Å; L314-L316 HydrophobicContact CD1-CG 4.34Å; L314-L316 HydrophobicContact CD2-CD1 4.33Å; L314-L316 HydrophobicContact CD2-CD2 4.2Å; L314-L316 HydrophobicContact CD2-CG 4.26Å; L314-L316 HydrophobicContact CG-CD1 4.48Å; L314-L316 HydrophobicContact CG-CD2 4.11Å; L314-L316 HydrophobicContact CG-CG 3.97Å; L314-H334 HydrophobicContact CD1-CB 3.87Å; L314-F339 HydrophobicContact CD1-CZ 4.41Å; L314-F339 HydrophobicContact CD2-CE1 3.99Å; L314-F339 HydrophobicContact CD2-CZ 4.05Å
315	V	95.8	Very high	84.5	Confident	13 Å²	13	72.7 Å²	72.7	8%	0.079	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.3	174.8	-173	0	0	0	0	109.3	L302 Q306 V313 H334	L302-V315 HydrophobicContact CB-CG1 4.21Å; L302-V315 HydrophobicContact CB-CG2 3.86Å; L302-V315 HydrophobicContact CD1-CG1 4.38Å; Q306-V315 HydrophobicContact CB-CG2 4.1Å; V313-V315 HydrophobicContact CG1-CG2 4.48Å; V315-H334 PolarHBondContact O-ND1 3.45Å
316	L	94.2	Very high	82.4	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.01	44%	0.443	C	S	.	.			trans	-117.2	137.3	-175.3	-69.5	173	0	0	0	111.1	I288 S289 L314 R332 H334 F339 V344	I288-L316 HydrophobicContact CG2-CD1 4.2Å; S289-L316 WeakPolarHBondContact O-CB 3.45Å; S289-L316 PolarHBondContact O-N 3.02Å; L314-L316 HydrophobicContact CD1-CD2 4.03Å; L314-L316 HydrophobicContact CD1-CG 4.34Å; L314-L316 HydrophobicContact CD2-CD1 4.33Å; L314-L316 HydrophobicContact CD2-CD2 4.2Å; L314-L316 HydrophobicContact CD2-CG 4.26Å; L314-L316 HydrophobicContact CG-CD1 4.48Å; L314-L316 HydrophobicContact CG-CD2 4.11Å; L314-L316 HydrophobicContact CG-CG 3.97Å; L316-R332 HydrophobicContact CB-CB 3.96Å; L316-R332 HydrophobicContact CB-CG 4.46Å; L316-R332 HydrophobicContact CD1-CB 4.23Å; L316-R332 HydrophobicContact CD2-CB 4.31Å; L316-R332 HydrophobicContact CG-CB 4.41Å; L316-H334 HydrophobicContact CD2-CB 4.05Å; L316-F339 HydrophobicContact CD2-CB 4.34Å; L316-F339 HydrophobicContact CD2-CD2 3.36Å; L316-F339 HydrophobicContact CD2-CE2 3.74Å; L316-F339 HydrophobicContact CD2-CG 3.9Å; L316-V344 HydrophobicContact CD1-CG1 3.76Å; L316-V344 HydrophobicContact CD1-CG2 4.12Å
317	D	90	Very high	80.5	Confident	37 Å²	37	79.5 Å²	79.5	20%	0.198	47%	0.469	C	S	.	.	B	Isolated β-bridge	trans	-132.8	-176.4	-179.4	-164.5	5.4	0	0	0	111.3	R299 R332 C333	R299-D317 IonicContact CZ-OD2 3.27Å; R299-D317 VanDerWaalsContact CZ-OD2 3.27Å; R299-D317 IonicContact NH1-OD2 2.71Å; R299-D317 PolarHBondContact NH1-OD2 3.07Å; R299-D317 IonicContact NH2-OD2 2.95Å; R299-D317 PolarHBondContact NH2-OD2 2.87Å; D317-R332 CarbonylContact O-C 3.57Å; D317-R332 WeakPolarHBondContact O-CA 3.42Å; D317-C333 PolarHBondContact N-O 3Å; D317-C333 PolarHBondContact O-N 2.82Å
318	K	88.6	Confident	79.4	Confident	111 Å²	111	76 Å²	76	48%	0.483	45%	0.45	S	S	.	.			trans	-63.6	132	174.5	-178.9	-175.7	173.1	-172.8	0	111	V292 L327	V292-K318 HydrophobicContact CB-CB 4.35Å; V292-K318 HydrophobicContact CG1-CB 4.14Å; K318-L327 HydrophobicContact CD-CD2 4.4Å
319	C	86.1	Confident	78.6	Confident	15 Å²	15	74.6 Å²	74.6	10%	0.101	45%	0.448	C	S	.	.			trans	-68.6	130.2	170.9	-60.5	0	0	0	0	112	L322 C333	C319-L322 HydrophobicContact CB-CD1 3.79Å; C319-L322 HydrophobicContact CB-CG 3.87Å; C319-C333 VanDerWaalsContact CA-SG 3.54Å; C319-C333 HydrophobicContact CB-CB 3.98Å; C319-C333 WeakPolarHBondContact CB-SG 3.42Å; C319-C333 WeakPolarHBondContact SG-CB 3.44Å; C319-C333 PolarHBondContact SG-N 3.5Å; C319-C333 CovalentContact SG-SG 2.04Å; C319-C333 PolarHBondContact SG-SG 3.36Å
320	T	77.7	Confident	78.2	Confident	123 Å²	123	77.2 Å²	77.2	76%	0.755	46%	0.456	S	S	*	.	S	Bend	trans	-94.8	-31.9	179.7	47.3	0	0	0	0	113.9
321	N	67.4	Low	78.1	Confident	137 Å²	137	78.3 Å²	78.3	73%	0.733	45%	0.45	S	S	*	.			trans	-114	40.3	-167.4	-64.1	-12.1	0	0	0	113.5
322	L	68.6	Low	78.1	Confident	64 Å²	64	71 Å²	71	34%	0.335	42%	0.415	S	S	.	.			trans	-80	127.5	171.2	-67.5	173.4	0	0	0	109.4	C319 E324 K331	C319-L322 HydrophobicContact CB-CD1 3.79Å; C319-L322 HydrophobicContact CB-CG 3.87Å; L322-E324 PolarHBondContact O-N 3.13Å; L322-K331 HydrophobicContact CD1-CB 4.43Å
323	S	56.7	Low	77.9	Confident	132 Å²	132	69.7 Å²	69.7	92%	0.923	41%	0.406	S	S	*	.	S	Bend	trans	-66.6	-2.5	-169.7	-42.2	0	0	0	0	115.8
324	E	53.7	Low	77.6	Confident	168 Å²	168	71.1 Å²	71.1	79%	0.785	41%	0.412	S	S	*	.	S	Bend	trans	-121.5	127	173.9	-65.2	-178.8	162.7	0	0	107.7	L322 G326	L322-E324 PolarHBondContact O-N 3.13Å; E324-G326 PolarHBondContact O-N 2.85Å
325	G	45.8	Very low	77	Confident	99 Å²	99	79.1 Å²	79.1	100%	1.021	45%	0.446	S	S	*	.	S	Bend	trans	-70.6	29.9	-166.8	0	0	0	0	0	117.3
326	G	49.8	Very low	76.4	Confident	52 Å²	52	87.1 Å²	87.1	54%	0.536	48%	0.483	S	S	.	.	S	Bend	trans	-102.2	142.5	174.6	0	0	0	0	0	112.5	E324 S328	E324-G326 PolarHBondContact O-N 2.85Å; G326-S328 PolarHBondContact O-N 2.92Å
327	L	55.6	Low	76.2	Confident	129 Å²	129	92.8 Å²	92.8	68%	0.675	51%	0.509	S	S	*	.			trans	-65.7	103.3	163.9	-86.9	92.7	0	0	0	109.3	K318 I329	K318-L327 HydrophobicContact CD-CD2 4.4Å; L327-I329 PolarHBondContact O-N 3.35Å
328	S	71.5	Confident	76.4	Confident	57 Å²	57	94.6 Å²	94.6	40%	0.399	52%	0.521	S	S	.	.			trans	-76.9	94.8	171.5	-164.6	0	0	0	0	110.4	G326 R330 K331	G326-S328 PolarHBondContact O-N 2.92Å; S328-R330 PolarHBondContact O-N 2.92Å; S328-R330 VanDerWaalsContact O-N 3.16Å; S328-K331 PolarHBondContact O-N 3.49Å; S328-K331 WeakPolarHBondContact OG-CG 3.48Å
329	I	79.8	Confident	76.6	Confident	113 Å²	113	90.6 Å²	90.6	58%	0.579	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.1	-179.6	-58.7	174.2	0	0	0	111.5	L269 L327 K331 R332	L269-I329 HydrophobicContact CD1-CG2 3.68Å; L269-I329 HydrophobicContact CD2-CG2 4.16Å; L269-I329 HydrophobicContact CG-CG2 4.42Å; L327-I329 PolarHBondContact O-N 3.35Å; I329-K331 VanDerWaalsContact C-N 3.32Å; I329-K331 PolarHBondContact O-N 3.39Å; I329-R332 PolarHBondContact O-NH1 2.82Å
330	R	87.1	Confident	76.9	Confident	100 Å²	100	93.3 Å²	93.3	38%	0.377	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	5.5	178.8	-63.6	-174.8	179.8	-155.4	-1.3	114.5	L269 E272 S328 Y341	L269-R330 HydrophobicContact CD2-CG 4Å; E272-R330 IonicContact OE2-NH2 3.59Å; E272-R330 PolarHBondContact OE2-NH2 3.14Å; S328-R330 PolarHBondContact O-N 2.92Å; S328-R330 VanDerWaalsContact O-N 3.16Å; R330-Y341 WeakPolarHBondContact CA-O 3.46Å; R330-Y341 PolarHBondContact O-N 2.82Å
331	K	89.9	Confident	77.6	Confident	60 Å²	60	87.6 Å²	87.6	26%	0.261	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.2	177.7	-61.3	-63.9	-169.5	176.6	0	111.7	L322 S328 I329 V338 F339 D340	L322-K331 HydrophobicContact CD1-CB 4.43Å; S328-K331 PolarHBondContact O-N 3.49Å; S328-K331 WeakPolarHBondContact OG-CG 3.48Å; I329-K331 VanDerWaalsContact C-N 3.32Å; I329-K331 PolarHBondContact O-N 3.39Å; K331-V338 HydrophobicContact CB-CG1 4.26Å; K331-V338 HydrophobicContact CD-CG1 3.89Å; K331-V338 HydrophobicContact CG-CG1 4.33Å; K331-F339 WeakPolarHBondContact CA-O 3.32Å; K331-D340 WeakPolarHBondContact CE-OD1 3.3Å; K331-D340 IonicContact NZ-OD1 2.93Å; K331-D340 PolarHBondContact NZ-OD1 3.21Å; K331-D340 IonicContact NZ-OD2 3.54Å; K331-D340 PolarHBondContact NZ-OD2 3.33Å
332	R	92.6	Very high	78.8	Confident	24 Å²	24	81.1 Å²	81.1	9%	0.091	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.7	168.7	-64.4	-66.7	-179.1	-75.1	-9.9	109.7	S290 L316 D317 I329 F339 Y341	S290-R332 PolarHBondContact O-NE 3.31Å; L316-R332 HydrophobicContact CB-CB 3.96Å; L316-R332 HydrophobicContact CB-CG 4.46Å; L316-R332 HydrophobicContact CD1-CB 4.23Å; L316-R332 HydrophobicContact CD2-CB 4.31Å; L316-R332 HydrophobicContact CG-CB 4.41Å; D317-R332 CarbonylContact O-C 3.57Å; D317-R332 WeakPolarHBondContact O-CA 3.42Å; I329-R332 PolarHBondContact O-NH1 2.82Å; R332-F339 PolarHBondContact N-O 2.81Å; R332-F339 PolarHBondContact O-N 3.18Å; R332-Y341 HydrophobicContact CG-CD2 4.06Å; R332-Y341 HydrophobicContact CG-CG 4.28Å
333	C	91.3	Very high	80	Confident	20 Å²	20	81.2 Å²	81.2	14%	0.135	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.6	-177.4	-77.7	0	0	0	0	112.5	D317 C319 Q337	D317-C333 PolarHBondContact N-O 3Å; D317-C333 PolarHBondContact O-N 2.82Å; C319-C333 VanDerWaalsContact CA-SG 3.54Å; C319-C333 HydrophobicContact CB-CB 3.98Å; C319-C333 WeakPolarHBondContact CB-SG 3.42Å; C319-C333 WeakPolarHBondContact SG-CB 3.44Å; C319-C333 PolarHBondContact SG-N 3.5Å; C319-C333 CovalentContact SG-SG 2.04Å; C319-C333 PolarHBondContact SG-SG 3.36Å; C333-Q337 VanDerWaalsContact CA-O 3.24Å; C333-Q337 WeakPolarHBondContact CA-O 3.36Å
334	H	90.4	Very high	81.8	Confident	32 Å²	32	75.5 Å²	75.5	15%	0.148	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.6	162	-179.2	84.5	0	0	0	108	Q306 L314 V315 L316 H336 Q337 F339	Q306-H334 PolarHBondContact NE2-CE1 2.88Å; Q306-H334 PolarHBondContact OE1-CE1 3.49Å; L314-H334 HydrophobicContact CD1-CB 3.87Å; V315-H334 PolarHBondContact O-ND1 3.45Å; L316-H334 HydrophobicContact CD2-CB 4.05Å; H334-H336 PolarHBondContact O-N 3.32Å; H334-H336 VanDerWaalsContact O-N 3.1Å; H334-Q337 PolarHBondContact N-O 3.11Å; H334-Q337 PolarHBondContact O-N 2.86Å; H334-F339 HydrophobicContact CB-CE2 4.12Å
335	K	85.2	Confident	83.8	Confident	173 Å²	173	67.5 Å²	67.5	75%	0.752	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	-113.2	-172.3	-58.7	165.1	-176.7	154.5	0	110.2
336	H	83	Confident	86.2	Confident	182 Å²	182	63.3 Å²	63.3	84%	0.843	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	0.2	178.3	-59.2	104.2	0	0	0	113.9	H334	H334-H336 PolarHBondContact O-N 3.32Å; H334-H336 VanDerWaalsContact O-N 3.1Å
337	Q	90.4	Very high	88.4	Confident	120 Å²	120	64.3 Å²	64.3	56%	0.561	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.9	179.9	-64.3	-178.8	8	0	0	110.5	C333 H334 F339	C333-Q337 VanDerWaalsContact CA-O 3.24Å; C333-Q337 WeakPolarHBondContact CA-O 3.36Å; H334-Q337 PolarHBondContact N-O 3.11Å; H334-Q337 PolarHBondContact O-N 2.86Å; Q337-F339 HydrophobicContact CB-CE2 3.68Å; Q337-F339 HydrophobicContact CB-CZ 4.15Å
338	V	92.8	Very high	90.4	Very high	75 Å²	75	58.1 Å²	58.1	46%	0.455	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.5	179	-171.7	0	0	0	0	109.2	K331	K331-V338 HydrophobicContact CB-CG1 4.26Å; K331-V338 HydrophobicContact CD-CG1 3.89Å; K331-V338 HydrophobicContact CG-CG1 4.33Å
339	F	93.6	Very high	91.6	Very high	27 Å²	27	55.8 Å²	55.8	12%	0.118	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145	-179.6	-63	-96.2	0	0	0	110.4	L314 L316 K331 R332 H334 Q337 V344	L314-F339 HydrophobicContact CD1-CZ 4.41Å; L314-F339 HydrophobicContact CD2-CE1 3.99Å; L314-F339 HydrophobicContact CD2-CZ 4.05Å; L316-F339 HydrophobicContact CD2-CB 4.34Å; L316-F339 HydrophobicContact CD2-CD2 3.36Å; L316-F339 HydrophobicContact CD2-CE2 3.74Å; L316-F339 HydrophobicContact CD2-CG 3.9Å; K331-F339 WeakPolarHBondContact CA-O 3.32Å; R332-F339 PolarHBondContact N-O 2.81Å; R332-F339 PolarHBondContact O-N 3.18Å; H334-F339 HydrophobicContact CB-CE2 4.12Å; Q337-F339 HydrophobicContact CB-CE2 3.68Å; Q337-F339 HydrophobicContact CB-CZ 4.15Å; F339-V344 HydrophobicContact CB-CB 4.17Å; F339-V344 HydrophobicContact CB-CG1 4.39Å; F339-V344 HydrophobicContact CB-CG2 4.08Å; F339-V344 HydrophobicContact CD1-CB 4.47Å; F339-V344 HydrophobicContact CD1-CG2 3.59Å; F339-V344 HydrophobicContact CE1-CG2 4.39Å; F339-V344 HydrophobicContact CG-CG2 4.13Å
340	D	92.3	Very high	92.5	Very high	72 Å²	72	50.4 Å²	50.4	39%	0.385	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133.9	174.1	-82.7	-71.3	0	0	0	111.4	K331 Q343 V344	K331-D340 WeakPolarHBondContact CE-OD1 3.3Å; K331-D340 IonicContact NZ-OD1 2.93Å; K331-D340 PolarHBondContact NZ-OD1 3.21Å; K331-D340 IonicContact NZ-OD2 3.54Å; K331-D340 PolarHBondContact NZ-OD2 3.33Å; D340-Q343 HydrophobicContact CB-CB 4.2Å; D340-Q343 HydrophobicContact CB-CG 4.45Å; D340-Q343 PolarHBondContact O-N 3.09Å; D340-V344 WeakPolarHBondContact O-CB 3.41Å; D340-V344 WeakPolarHBondContact O-CG1 3.21Å; D340-V344 PolarHBondContact O-N 3.24Å
341	Y	91.9	Very high	93.1	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.016	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	131.4	-176.3	-177.9	-86	0	0	0	110.3	L269 R330 R332 Q343 L345 I363 D366	L269-Y341 HydrophobicContact CD1-CD1 4.17Å; L269-Y341 HydrophobicContact CD1-CE1 3.94Å; R330-Y341 WeakPolarHBondContact CA-O 3.46Å; R330-Y341 PolarHBondContact O-N 2.82Å; R332-Y341 HydrophobicContact CG-CD2 4.06Å; R332-Y341 HydrophobicContact CG-CG 4.28Å; Y341-Q343 PolarHBondContact O-OE1 2.92Å; Y341-L345 HydrophobicContact CE2-CD1 3.87Å; Y341-L345 HydrophobicContact CE2-CD2 4.31Å; Y341-L345 HydrophobicContact CE2-CG 4.19Å; Y341-I363 HydrophobicContact CE2-CD1 4.44Å; Y341-I363 WeakPolarHBondContact OH-CD1 3.07Å; Y341-D366 HydrophobicContact CE1-CB 4.48Å; Y341-D366 WeakPolarHBondContact OH-CB 3.49Å; Y341-D366 PolarHBondContact OH-OD2 2.79Å
342	P	93.1	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.9	1.9	8.5	31.9	-35.8	0	0	0	116.7	V273 L275 V344 L345 D366	V273-P342 HydrophobicContact CB-CG 4.33Å; V273-P342 HydrophobicContact CG1-CG 4.28Å; L275-P342 HydrophobicContact CD1-CG 4.38Å; L275-P342 HydrophobicContact CD2-CG 4.38Å; P342-V344 VanDerWaalsContact C-N 3.3Å; P342-V344 PolarHBondContact O-N 2.81Å; P342-V344 VanDerWaalsContact O-N 3.12Å; P342-L345 HydrophobicContact CB-CD1 4.01Å; P342-L345 VanDerWaalsContact O-CB 3.26Å; P342-L345 WeakPolarHBondContact O-CB 3.47Å; P342-L345 WeakPolarHBondContact O-CG 3.44Å; P342-L345 PolarHBondContact O-N 3.27Å; P342-D366 HydrophobicContact CB-CB 4.17Å
343	Q	92.8	Very high	93.6	Very high	67 Å²	67	42.1 Å²	42.1	31%	0.313	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-50	-43.3	-172.3	-69	79.4	-2.3	0	0	114.3	L275 D340 Y341 L345 Q346	L275-Q343 HydrophobicContact CD2-CB 4.31Å; L275-Q343 HydrophobicContact CD2-CG 3.76Å; D340-Q343 HydrophobicContact CB-CB 4.2Å; D340-Q343 HydrophobicContact CB-CG 4.45Å; D340-Q343 PolarHBondContact O-N 3.09Å; Y341-Q343 PolarHBondContact O-OE1 2.92Å; Q343-L345 PolarHBondContact O-N 3.21Å; Q343-L345 VanDerWaalsContact O-N 3.11Å; Q343-Q346 WeakPolarHBondContact O-CB 3.2Å; Q343-Q346 PolarHBondContact O-N 3.46Å
344	V	94.9	Very high	93.8	Very high	11 Å²	11	41.1 Å²	41.1	7%	0.067	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.8	-24.4	-179.4	69.4	0	0	0	0	113.6	I288 L316 F339 D340 P342 Q346 E347	I288-V344 HydrophobicContact CD1-CG2 4.03Å; L316-V344 HydrophobicContact CD1-CG1 3.76Å; L316-V344 HydrophobicContact CD1-CG2 4.12Å; F339-V344 HydrophobicContact CB-CB 4.17Å; F339-V344 HydrophobicContact CB-CG1 4.39Å; F339-V344 HydrophobicContact CB-CG2 4.08Å; F339-V344 HydrophobicContact CD1-CB 4.47Å; F339-V344 HydrophobicContact CD1-CG2 3.59Å; F339-V344 HydrophobicContact CE1-CG2 4.39Å; F339-V344 HydrophobicContact CG-CG2 4.13Å; D340-V344 WeakPolarHBondContact O-CB 3.41Å; D340-V344 WeakPolarHBondContact O-CG1 3.21Å; D340-V344 PolarHBondContact O-N 3.24Å; P342-V344 VanDerWaalsContact C-N 3.3Å; P342-V344 PolarHBondContact O-N 2.81Å; P342-V344 VanDerWaalsContact O-N 3.12Å; V344-Q346 PolarHBondContact O-N 3.35Å; V344-E347 WeakPolarHBondContact O-CB 3.45Å; V344-E347 PolarHBondContact O-N 2.92Å
345	L	96.3	Very high	93.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.4	-28.3	177	-58.3	179.8	0	0	0	112.1	I288 Y341 P342 Q343 E347 A348 D366 V367 A370	I288-L345 HydrophobicContact CG2-CD2 4.04Å; Y341-L345 HydrophobicContact CE2-CD1 3.87Å; Y341-L345 HydrophobicContact CE2-CD2 4.31Å; Y341-L345 HydrophobicContact CE2-CG 4.19Å; P342-L345 HydrophobicContact CB-CD1 4.01Å; P342-L345 VanDerWaalsContact O-CB 3.26Å; P342-L345 WeakPolarHBondContact O-CB 3.47Å; P342-L345 WeakPolarHBondContact O-CG 3.44Å; P342-L345 PolarHBondContact O-N 3.27Å; Q343-L345 PolarHBondContact O-N 3.21Å; Q343-L345 VanDerWaalsContact O-N 3.11Å; L345-E347 PolarHBondContact O-N 3.13Å; L345-A348 PolarHBondContact O-N 3Å; L345-A348 VanDerWaalsContact O-N 3.16Å; L345-D366 HydrophobicContact CD1-CB 4.03Å; L345-V367 HydrophobicContact CD1-CG2 4.07Å; L345-A370 HydrophobicContact CB-CB 3.51Å
346	Q	95.8	Very high	94	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.056	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-67.1	-16.9	175.1	-58.2	-166.9	-77.9	0	0	112.6	L275 P276 K278 R283 Q343 V344 A348 A370	L275-Q346 HydrophobicContact CD1-CG 4.09Å; P276-Q346 PolarHBondContact O-NE2 2.93Å; K278-Q346 HydrophobicContact CD-CB 3.93Å; K278-Q346 WeakPolarHBondContact CD-O 3.18Å; K278-Q346 WeakPolarHBondContact CE-O 3.42Å; K278-Q346 PolarHBondContact NZ-O 3.44Å; R283-Q346 WeakPolarHBondContact CD-O 3.42Å; R283-Q346 PolarHBondContact NE-O 2.92Å; Q343-Q346 WeakPolarHBondContact O-CB 3.2Å; Q343-Q346 PolarHBondContact O-N 3.46Å; V344-Q346 PolarHBondContact O-N 3.35Å; Q346-A348 VanDerWaalsContact C-N 3.34Å; Q346-A370 HydrophobicContact CG-CB 3.93Å
347	E	96.3	Very high	94.2	Very high	72 Å²	72	32.6 Å²	32.6	34%	0.336	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-86.9	1.3	176.1	-61.1	-50.1	137.7	0	0	113.9	K278 R283 R284 Y285 V344 L345	K278-E347 IonicContact NZ-OE1 3.81Å; K278-E347 PolarHBondContact NZ-OE1 2.91Å; K278-E347 IonicContact NZ-OE2 2.76Å; K278-E347 PolarHBondContact NZ-OE2 2.97Å; R283-E347 WeakPolarHBondContact CB-O 3.22Å; R284-E347 HydrophobicContact CB-CB 4.37Å; R284-E347 PolarHBondContact N-O 3.27Å; R284-E347 VanDerWaalsContact N-O 3.13Å; Y285-E347 HydrophobicContact CD2-CB 3.84Å; Y285-E347 WeakPolarHBondContact CD2-O 3.21Å; Y285-E347 HydrophobicContact CE2-CB 4.1Å; Y285-E347 PolarHBondContact N-O 3.24Å; V344-E347 WeakPolarHBondContact O-CB 3.45Å; V344-E347 PolarHBondContact O-N 2.92Å; L345-E347 PolarHBondContact O-N 3.13Å
348	A	97.6	Very high	94.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.2	177.7	0	0	0	0	0	113.8	R283 Y285 I288 L345 Q346 C372	R283-A348 VanDerWaalsContact CB-C 3.49Å; R283-A348 WeakPolarHBondContact CG-O 3.41Å; Y285-A348 VanDerWaalsContact O-CA 3.31Å; Y285-A348 WeakPolarHBondContact O-CA 3.2Å; I288-A348 HydrophobicContact CB-CB 3.8Å; I288-A348 HydrophobicContact CD1-CB 3.67Å; I288-A348 HydrophobicContact CG1-CB 3.67Å; L345-A348 PolarHBondContact O-N 3Å; L345-A348 VanDerWaalsContact O-N 3.16Å; Q346-A348 VanDerWaalsContact C-N 3.34Å; A348-C372 PolarHBondContact O-SG 3.35Å
349	T	97.8	Very high	94.2	Very high	8 Å²	8	26.2 Å²	26.2	5%	0.049	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-48.6	171.8	-59.1	0	0	0	0	110.1	R283 Y285 V373 I418	R283-T349 WeakPolarHBondContact CB-OG1 3.33Å; Y285-T349 PolarHBondContact O-N 2.71Å; T349-V373 PolarHBondContact O-N 2.75Å; T349-I418 HydrophobicContact CG2-CD1 4.43Å; T349-I418 HydrophobicContact CG2-CG2 3.39Å
350	F	98.5	Very high	94.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.3	179.7	-65	-74.5	0	0	0	111.1	F286 L287 I288 V373 V375 V396 L410 I413 I418	F286-F350 HydrophobicContact CD2-CD2 4.3Å; F286-F350 HydrophobicContact CD2-CE2 4.41Å; F286-F350 HydrophobicContact CE1-CD2 4.21Å; F286-F350 HydrophobicContact CE1-CE2 4.39Å; F286-F350 AromaticContact CE2-CD2 3.94Å; F286-F350 HydrophobicContact CE2-CD2 3.94Å; F286-F350 AromaticContact CE2-CE2 3.66Å; F286-F350 HydrophobicContact CE2-CE2 3.66Å; F286-F350 AromaticContact CZ-CD2 3.9Å; F286-F350 HydrophobicContact CZ-CD2 3.9Å; F286-F350 AromaticContact CZ-CE2 3.66Å; F286-F350 HydrophobicContact CZ-CE2 3.66Å; F286-F350 WeakPolarHBondContact O-CB 3.48Å; F286-F350 PolarHBondContact O-N 3.3Å; L287-F350 CarbonylContact C-O 3.59Å; L287-F350 WeakPolarHBondContact CA-O 3.43Å; L287-F350 HydrophobicContact CD1-CB 3.63Å; I288-F350 PolarHBondContact N-O 2.99Å; F350-V373 WeakPolarHBondContact CA-O 3.24Å; F350-V373 HydrophobicContact CD1-CB 3.64Å; F350-V373 HydrophobicContact CD1-CG1 3.9Å; F350-V373 HydrophobicContact CD1-CG2 4.42Å; F350-V373 HydrophobicContact CE1-CB 3.92Å; F350-V373 HydrophobicContact CE1-CG1 3.91Å; F350-V373 HydrophobicContact CE1-CG2 4.35Å; F350-V375 HydrophobicContact CB-CG2 3.73Å; F350-V375 HydrophobicContact CD1-CG2 3.81Å; F350-V375 HydrophobicContact CG-CG2 4.12Å; F350-V396 HydrophobicContact CE1-CG2 4.15Å; F350-L410 HydrophobicContact CB-CD1 4.09Å; F350-L410 HydrophobicContact CD1-CD1 4.41Å; F350-L410 HydrophobicContact CD1-CD2 3.68Å; F350-L410 HydrophobicContact CD2-CB 4.18Å; F350-L410 HydrophobicContact CD2-CD1 4.1Å; F350-L410 HydrophobicContact CD2-CD2 4.38Å; F350-L410 HydrophobicContact CD2-CG 4.45Å; F350-L410 HydrophobicContact CE1-CD2 3.67Å; F350-L410 HydrophobicContact CE2-CB 3.96Å; F350-L410 HydrophobicContact CE2-CD2 4.35Å; F350-L410 HydrophobicContact CG-CD1 3.96Å; F350-L410 HydrophobicContact CG-CD2 4.06Å; F350-L410 HydrophobicContact CG-CG 4.44Å; F350-L410 HydrophobicContact CZ-CB 4.24Å; F350-L410 HydrophobicContact CZ-CD2 4Å; F350-I413 HydrophobicContact CE1-CD1 4.31Å; F350-I413 HydrophobicContact CZ-CD1 4.2Å; F350-I418 HydrophobicContact CE2-CD1 3.89Å; F350-I418 HydrophobicContact CZ-CD1 3.67Å; F350-I418 HydrophobicContact CZ-CG1 3.84Å; F350-I418 HydrophobicContact CZ-CG2 4.45Å
351	C	98.3	Very high	94.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.2	-179.6	-68.1	0	0	0	0	110.3	I288 V367 C372 V373 P374 V375	I288-C351 CarbonylContact O-C 3.42Å; I288-C351 WeakPolarHBondContact O-CA 3.48Å; C351-V367 HydrophobicContact CB-CB 4.24Å; C351-V367 HydrophobicContact CB-CG1 3.65Å; C351-V367 HydrophobicContact CB-CG2 3.54Å; C351-C372 HydrophobicContact CB-CB 4.01Å; C351-C372 WeakPolarHBondContact CB-SG 3.23Å; C351-C372 PolarHBondContact N-SG 2.81Å; C351-C372 WeakPolarHBondContact SG-CB 3.13Å; C351-C372 CovalentContact SG-SG 2.04Å; C351-C372 PolarHBondContact SG-SG 3.44Å; C351-V373 PolarHBondContact N-O 3.5Å; C351-P374 CarbonylContact O-C 3.57Å; C351-P374 WeakPolarHBondContact O-CA 3.33Å; C351-V375 PolarHBondContact O-N 3.42Å
352	V	97.4	Very high	94.2	Very high	2 Å²	2	25 Å²	25	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131.5	-177.1	179.8	0	0	0	0	110.8	L287 I288 Q291 L302 L354 I377	L287-V352 HydrophobicContact CD1-CG2 3.63Å; L287-V352 HydrophobicContact CD2-CG2 4.17Å; L287-V352 HydrophobicContact CG-CG2 3.91Å; I288-V352 PolarHBondContact O-N 3.31Å; Q291-V352 PolarHBondContact OE1-O 2.91Å; L302-V352 HydrophobicContact CD2-CG2 4.36Å; V352-L354 HydrophobicContact CG1-CB 4.32Å; V352-L354 HydrophobicContact CG1-CD1 3.53Å; V352-L354 HydrophobicContact CG1-CG 3.5Å; V352-L354 VanDerWaalsContact CG1-CG 3.5Å; V352-I377 HydrophobicContact CG1-CD1 4.22Å
353	V	96.9	Very high	94.2	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.036	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	84	171.1	-177.6	0	0	0	0	107.5	I363 L364 V367 P374 V375 V376 I377	V353-I363 HydrophobicContact CG1-CG2 4.26Å; V353-L364 HydrophobicContact CG1-CB 4.44Å; V353-L364 HydrophobicContact CG2-CD1 4.4Å; V353-V367 HydrophobicContact CG2-CG2 4.28Å; V353-P374 HydrophobicContact CG2-CB 4.13Å; V353-V375 PolarHBondContact N-O 2.89Å; V353-V376 HydrophobicContact CB-CG2 4.47Å; V353-V376 WeakPolarHBondContact O-CA 3.26Å; V353-I377 PolarHBondContact O-N 2.84Å
354	L	94.8	Very high	94.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	156.6	177.6	-84.7	154.5	0	0	0	112.5	Q291 L294 Y298 L302 V352 G356 Q361 I377 M403	Q291-L354 PolarHBondContact NE2-O 3.45Å; L294-L354 HydrophobicContact CD1-CD1 4.09Å; L294-L354 HydrophobicContact CD2-CB 4.07Å; L294-L354 HydrophobicContact CD2-CD1 4.12Å; Y298-L354 HydrophobicContact CD1-CD2 3.87Å; Y298-L354 HydrophobicContact CD2-CD2 4.49Å; Y298-L354 HydrophobicContact CE1-CD2 4.26Å; Y298-L354 HydrophobicContact CG-CD2 4Å; L302-L354 HydrophobicContact CD1-CD1 3.73Å; L302-L354 HydrophobicContact CG-CD1 4.3Å; V352-L354 HydrophobicContact CG1-CB 4.32Å; V352-L354 HydrophobicContact CG1-CD1 3.53Å; V352-L354 HydrophobicContact CG1-CG 3.5Å; V352-L354 VanDerWaalsContact CG1-CG 3.5Å; L354-G356 PolarHBondContact O-N 3.34Å; L354-Q361 PolarHBondContact O-NE2 3.34Å; L354-I377 CarbonylContact C-O 3.48Å; L354-I377 WeakPolarHBondContact CA-O 3.5Å; L354-I377 HydrophobicContact CD2-CB 3.73Å; L354-I377 HydrophobicContact CD2-CD1 4.35Å; L354-I377 HydrophobicContact CD2-CG2 3.66Å; L354-I377 HydrophobicContact CG-CB 4.27Å; L354-M403 HydrophobicContact CD1-CE 3.91Å; L354-M403 HydrophobicContact CD2-CE 3.93Å; L354-M403 HydrophobicContact CD2-SD 3.8Å; L354-M403 HydrophobicContact CG-CE 4.5Å
355	R	91	Very high	94.5	Very high	111 Å²	111	22.1 Å²	22.1	42%	0.419	12%	0.124	S	C	.	.			trans	-53.9	132.4	164.3	180	167.9	174.5	-170.6	-1.6	112.1	Y298 L359 I377 A378 E400	Y298-R355 HydrophobicContact CE2-CB 4.37Å; R355-L359 HydrophobicContact CG-CD2 4.01Å; R355-I377 PolarHBondContact N-O 3.4Å; R355-A378 HydrophobicContact CB-CB 4.05Å; R355-E400 WeakPolarHBondContact CD-OE1 3.11Å; R355-E400 IonicContact NH1-OE1 3.77Å; R355-E400 IonicContact NH1-OE2 3.69Å
356	G	88.4	Confident	94.4	Very high	25 Å²	25	22.3 Å²	22.3	26%	0.258	13%	0.125	S	C	.	.			trans	-116.1	-169.7	169	0	0	0	0	0	111.5	L354 R358	L354-G356 PolarHBondContact O-N 3.34Å; G356-R358 CarbonylContact C-O 3.55Å; G356-R358 PolarHBondContact O-N 2.94Å
357	A	87.8	Confident	94.5	Very high	71 Å²	71	21.8 Å²	21.8	59%	0.587	12%	0.122	S	C	*	.	S	Bend	trans	-58.2	-32.7	173	0	0	0	0	0	112.3	Y232	Y232-A357 WeakPolarHBondContact CB-O 3.12Å; Y232-A357 HydrophobicContact CD1-CB 4.42Å; Y232-A357 HydrophobicContact CD2-CB 4.09Å; Y232-A357 HydrophobicContact CE1-CB 4.38Å; Y232-A357 HydrophobicContact CE2-CB 4.05Å; Y232-A357 HydrophobicContact CG-CB 4.26Å
358	R	91.3	Very high	94.5	Very high	43 Å²	43	18.3 Å²	18.3	16%	0.162	11%	0.106	C	C	.	.	S	Bend	trans	-105.1	141.7	161.1	-66.9	-178.3	173.2	105.8	1.1	108.5	N196 P226 G227 Y232 G356 Q361	N196-R358 PolarHBondContact OD1-NH2 3.31Å; P226-R358 PolarHBondContact O-NE 2.84Å; G227-R358 PolarHBondContact O-NH2 2.84Å; Y232-R358 HydrophobicContact CD1-CG 3.96Å; G356-R358 CarbonylContact C-O 3.55Å; G356-R358 PolarHBondContact O-N 2.94Å; R358-Q361 PolarHBondContact O-NE2 2.98Å
359	L	91.6	Very high	94.4	Very high	19 Å²	19	18.5 Å²	18.5	10%	0.099	11%	0.107	C	C	.	.	S	Bend	trans	-63.2	-57	174.1	-61.9	-178.1	0	0	0	110.3	T234 R355 Q361 Y381	T234-L359 HydrophobicContact CG2-CD1 3.55Å; T234-L359 HydrophobicContact CG2-CG 3.99Å; R355-L359 HydrophobicContact CG-CD2 4.01Å; L359-Q361 PolarHBondContact O-NE2 3.13Å; L359-Y381 HydrophobicContact CB-CD2 3.72Å; L359-Y381 HydrophobicContact CB-CE2 4.38Å; L359-Y381 HydrophobicContact CB-CG 4.17Å
360	G	91.6	Very high	94.3	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.021	11%	0.105	C	C	.	.	S	Bend	trans	-69.3	127.6	174.9	0	0	0	0	0	112.9	G248 V265	G248-G360 VanDerWaalsContact O-CA 3.3Å; G248-G360 WeakPolarHBondContact O-CA 3.47Å; V265-G360 VanDerWaalsContact CG2-C 3.5Å
361	Q	92.3	Very high	94.1	Very high	44 Å²	44	18.5 Å²	18.5	21%	0.206	11%	0.108	C	C	.	.			trans	-143.1	145.4	-176.5	-70.7	168.4	83.8	0	0	111.5	L354 R358 L359 I363 L364	L354-Q361 PolarHBondContact O-NE2 3.34Å; R358-Q361 PolarHBondContact O-NE2 2.98Å; L359-Q361 PolarHBondContact O-NE2 3.13Å; Q361-I363 HydrophobicContact CB-CG2 3.9Å; Q361-I363 PolarHBondContact O-N 3.39Å; Q361-I363 VanDerWaalsContact O-N 3.16Å; Q361-L364 PolarHBondContact O-N 3.29Å
362	A	93.5	Very high	94	Very high	30 Å²	30	18.4 Å²	18.4	25%	0.248	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.1	180	0	0	0	0	0	113.9	V265 L364 S365 D366	V265-A362 HydrophobicContact CG1-CB 4.22Å; A362-L364 PolarHBondContact O-N 3.42Å; A362-L364 VanDerWaalsContact O-N 3.16Å; A362-S365 WeakPolarHBondContact O-CA 3.19Å; A362-S365 VanDerWaalsContact O-CB 3.22Å; A362-S365 WeakPolarHBondContact O-CB 3.3Å; A362-S365 PolarHBondContact O-N 2.7Å; A362-D366 PolarHBondContact O-N 2.89Å
363	I	94.3	Very high	94.1	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.062	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-25.6	-179.1	-170	146.2	0	0	0	113.9	S290 Q291 Y341 V353 Q361 S365 D366 V367	S290-I363 VanDerWaalsContact OG-CD1 3.26Å; S290-I363 WeakPolarHBondContact OG-CD1 3.17Å; Q291-I363 HydrophobicContact CG-CD1 3.51Å; Q291-I363 HydrophobicContact CG-CG1 4.4Å; Q291-I363 HydrophobicContact CG-CG2 3.98Å; Y341-I363 HydrophobicContact CE2-CD1 4.44Å; Y341-I363 WeakPolarHBondContact OH-CD1 3.07Å; V353-I363 HydrophobicContact CG1-CG2 4.26Å; Q361-I363 HydrophobicContact CB-CG2 3.9Å; Q361-I363 PolarHBondContact O-N 3.39Å; Q361-I363 VanDerWaalsContact O-N 3.16Å; I363-S365 VanDerWaalsContact C-N 3.3Å; I363-S365 PolarHBondContact O-N 3.38Å; I363-D366 PolarHBondContact O-N 2.75Å; I363-V367 HydrophobicContact CG1-CG2 4.14Å; I363-V367 WeakPolarHBondContact O-CB 3.44Å; I363-V367 VanDerWaalsContact O-CG2 3.27Å; I363-V367 WeakPolarHBondContact O-CG2 3.33Å; I363-V367 PolarHBondContact O-N 2.99Å
364	L	96.6	Very high	94.1	Very high	5 Å²	5	18 Å²	18	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-62	-40.6	171.8	-178.4	60.1	0	0	0	111	V353 Q361 A362 L368 P374 L383 P384 W391 F433	V353-L364 HydrophobicContact CG1-CB 4.44Å; V353-L364 HydrophobicContact CG2-CD1 4.4Å; Q361-L364 PolarHBondContact O-N 3.29Å; A362-L364 PolarHBondContact O-N 3.42Å; A362-L364 VanDerWaalsContact O-N 3.16Å; L364-L368 HydrophobicContact CD1-CD1 4.28Å; L364-L368 HydrophobicContact CD1-CG 4.42Å; L364-L368 HydrophobicContact CG-CD1 4.13Å; L364-L368 WeakPolarHBondContact O-CD1 3.1Å; L364-L368 WeakPolarHBondContact O-CG 3.45Å; L364-L368 PolarHBondContact O-N 3.09Å; L364-L368 VanDerWaalsContact O-N 3.12Å; L364-P374 HydrophobicContact CD1-CB 3.89Å; L364-P374 HydrophobicContact CD1-CG 4.21Å; L364-L383 HydrophobicContact CD2-CD2 3.92Å; L364-P384 HydrophobicContact CD2-CG 3.97Å; L364-W391 HydrophobicContact CD1-CH2 4.43Å; L364-W391 HydrophobicContact CD1-CZ3 4.21Å; L364-W391 HydrophobicContact CD2-CH2 4.09Å; L364-W391 HydrophobicContact CG-CH2 4.46Å; L364-F433 HydrophobicContact CD2-CE1 4.37Å; L364-F433 HydrophobicContact CG-CE1 4.33Å
365	S	95.9	Very high	94.3	Very high	2 Å²	2	18 Å²	18	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-63.3	-46.6	174	-176.2	0	0	0	0	111.6	S270 A362 I363 V367 L368 Q369	S270-S365 PolarHBondContact OG-OG 2.79Å; A362-S365 WeakPolarHBondContact O-CA 3.19Å; A362-S365 VanDerWaalsContact O-CB 3.22Å; A362-S365 WeakPolarHBondContact O-CB 3.3Å; A362-S365 PolarHBondContact O-N 2.7Å; I363-S365 VanDerWaalsContact C-N 3.3Å; I363-S365 PolarHBondContact O-N 3.38Å; S365-V367 VanDerWaalsContact C-N 3.32Å; S365-V367 PolarHBondContact O-N 3.48Å; S365-L368 PolarHBondContact O-N 3.25Å; S365-Q369 WeakPolarHBondContact O-CB 3.19Å; S365-Q369 PolarHBondContact O-N 2.84Å
366	D	95.5	Very high	94.6	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-64.6	-36.5	-177.7	-60.8	-39.7	0	0	0	112	S267 S270 Y341 P342 L345 A362 I363 A370	S267-D366 VanDerWaalsContact CB-OD1 3.31Å; S267-D366 WeakPolarHBondContact CB-OD1 3.47Å; S267-D366 PolarHBondContact OG-OD1 3.06Å; S267-D366 PolarHBondContact OG-OD2 3.15Å; S270-D366 PolarHBondContact N-OD1 2.95Å; S270-D366 WeakPolarHBondContact OG-CA 3.31Å; S270-D366 PolarHBondContact OG-N 2.83Å; S270-D366 PolarHBondContact OG-OD1 2.94Å; Y341-D366 HydrophobicContact CE1-CB 4.48Å; Y341-D366 WeakPolarHBondContact OH-CB 3.49Å; Y341-D366 PolarHBondContact OH-OD2 2.79Å; P342-D366 HydrophobicContact CB-CB 4.17Å; L345-D366 HydrophobicContact CD1-CB 4.03Å; A362-D366 PolarHBondContact O-N 2.89Å; I363-D366 PolarHBondContact O-N 2.75Å; D366-A370 PolarHBondContact O-N 2.83Å
367	V	96.9	Very high	95	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-68.1	-45.8	175.6	165.3	0	0	0	0	112	L345 C351 V353 I363 S365 A370 G371 C372 P374	L345-V367 HydrophobicContact CD1-CG2 4.07Å; C351-V367 HydrophobicContact CB-CB 4.24Å; C351-V367 HydrophobicContact CB-CG1 3.65Å; C351-V367 HydrophobicContact CB-CG2 3.54Å; V353-V367 HydrophobicContact CG2-CG2 4.28Å; I363-V367 HydrophobicContact CG1-CG2 4.14Å; I363-V367 WeakPolarHBondContact O-CB 3.44Å; I363-V367 VanDerWaalsContact O-CG2 3.27Å; I363-V367 WeakPolarHBondContact O-CG2 3.33Å; I363-V367 PolarHBondContact O-N 2.99Å; S365-V367 VanDerWaalsContact C-N 3.32Å; S365-V367 PolarHBondContact O-N 3.48Å; V367-A370 PolarHBondContact O-N 3.29Å; V367-G371 PolarHBondContact O-N 2.88Å; V367-C372 HydrophobicContact CG1-CB 4.21Å; V367-C372 WeakPolarHBondContact CG1-O 3.47Å; V367-C372 PolarHBondContact O-N 2.86Å; V367-P374 HydrophobicContact CG1-CB 3.75Å; V367-P374 HydrophobicContact CG1-CG 4.29Å
368	L	96.9	Very high	95.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.4	-41.4	177.5	-65.9	165.8	0	0	0	111.3	L364 S365 A370 G371 P374 W391 A425 W429 F433	L364-L368 HydrophobicContact CD1-CD1 4.28Å; L364-L368 HydrophobicContact CD1-CG 4.42Å; L364-L368 HydrophobicContact CG-CD1 4.13Å; L364-L368 WeakPolarHBondContact O-CD1 3.1Å; L364-L368 WeakPolarHBondContact O-CG 3.45Å; L364-L368 PolarHBondContact O-N 3.09Å; L364-L368 VanDerWaalsContact O-N 3.12Å; S365-L368 PolarHBondContact O-N 3.25Å; L368-A370 VanDerWaalsContact C-N 3.29Å; L368-A370 PolarHBondContact O-N 3.48Å; L368-G371 PolarHBondContact O-N 2.85Å; L368-G371 VanDerWaalsContact O-N 3.09Å; L368-P374 HydrophobicContact CD2-CG 3.98Å; L368-W391 HydrophobicContact CD1-CH2 3.94Å; L368-W391 HydrophobicContact CD1-CZ3 4.29Å; L368-W391 HydrophobicContact CD2-CZ3 4.25Å; L368-A425 HydrophobicContact CD2-CB 3.73Å; L368-W429 HydrophobicContact CB-CB 3.84Å; L368-F433 HydrophobicContact CD1-CD1 3.82Å; L368-F433 HydrophobicContact CD1-CD2 4.46Å; L368-F433 HydrophobicContact CD1-CE1 3.5Å; L368-F433 VanDerWaalsContact CD1-CE1 3.5Å; L368-F433 HydrophobicContact CD1-CE2 4.23Å; L368-F433 HydrophobicContact CD1-CG 4.31Å; L368-F433 HydrophobicContact CD1-CZ 3.76Å
369	Q	95.4	Very high	95.4	Very high	3 Å²	3	10 Å²	10	1%	0.014	6%	0.059	C	C	.	.	H	α-helix	trans	-55.7	-44.6	174.5	-171	-161.6	21.5	0	0	111.7	S270 V273 L275 S365 G371 R426 W429	S270-Q369 PolarHBondContact O-NE2 3.21Å; V273-Q369 PolarHBondContact O-NE2 3.05Å; L275-Q369 HydrophobicContact CD1-CG 3.96Å; S365-Q369 WeakPolarHBondContact O-CB 3.19Å; S365-Q369 PolarHBondContact O-N 2.84Å; Q369-G371 PolarHBondContact O-N 2.8Å; Q369-R426 WeakPolarHBondContact O-CD 3.36Å; Q369-R426 PolarHBondContact O-NH1 2.91Å; Q369-W429 HydrophobicContact CB-CD2 3.85Å; Q369-W429 HydrophobicContact CB-CE3 4.45Å; Q369-W429 HydrophobicContact CB-CG 3.98Å; Q369-W429 HydrophobicContact CB-CZ2 4.28Å; Q369-W429 HydrophobicContact CG-CD2 3.83Å; Q369-W429 HydrophobicContact CG-CE3 4.05Å; Q369-W429 HydrophobicContact CG-CG 4.49Å; Q369-W429 HydrophobicContact CG-CH2 3.87Å; Q369-W429 HydrophobicContact CG-CZ2 3.63Å; Q369-W429 HydrophobicContact CG-CZ3 4.08Å
370	A	95.3	Very high	95.6	Very high	2 Å²	2	11.6 Å²	11.6	2%	0.017	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.6	-178.4	0	0	0	0	0	114.1	L275 L345 Q346 D366 V367 L368 C372	L275-A370 HydrophobicContact CD1-CB 4.2Å; L345-A370 HydrophobicContact CB-CB 3.51Å; Q346-A370 HydrophobicContact CG-CB 3.93Å; D366-A370 PolarHBondContact O-N 2.83Å; V367-A370 PolarHBondContact O-N 3.29Å; L368-A370 VanDerWaalsContact C-N 3.29Å; L368-A370 PolarHBondContact O-N 3.48Å; A370-C372 HydrophobicContact CB-CB 4.4Å; A370-C372 PolarHBondContact O-N 2.66Å
371	G	94.6	Very high	95.8	Very high	6 Å²	6	12.6 Å²	12.6	6%	0.062	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	26.5	-172.2	0	0	0	0	0	112.5	V367 L368 Q369 Q422	V367-G371 PolarHBondContact O-N 2.88Å; L368-G371 PolarHBondContact O-N 2.85Å; L368-G371 VanDerWaalsContact O-N 3.09Å; Q369-G371 PolarHBondContact O-N 2.8Å; G371-Q422 WeakPolarHBondContact O-CG 3.3Å
372	C	96.2	Very high	96	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.071	C	C	.	.			trans	-91.9	140.9	173.1	-172.7	0	0	0	0	108.4	A348 C351 V367 A370 P374	A348-C372 PolarHBondContact O-SG 3.35Å; C351-C372 HydrophobicContact CB-CB 4.01Å; C351-C372 WeakPolarHBondContact CB-SG 3.23Å; C351-C372 PolarHBondContact N-SG 2.81Å; C351-C372 WeakPolarHBondContact SG-CB 3.13Å; C351-C372 CovalentContact SG-SG 2.04Å; C351-C372 PolarHBondContact SG-SG 3.44Å; V367-C372 HydrophobicContact CG1-CB 4.21Å; V367-C372 WeakPolarHBondContact CG1-O 3.47Å; V367-C372 PolarHBondContact O-N 2.86Å; A370-C372 HydrophobicContact CB-CB 4.4Å; A370-C372 PolarHBondContact O-N 2.66Å; C372-P374 WeakPolarHBondContact O-CD 3.39Å
373	V	98.4	Very high	96.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	115.1	-178.8	-176.5	0	0	0	0	109.4	T349 F350 C351 V375 V396 I418 M421 Q422	T349-V373 PolarHBondContact O-N 2.75Å; F350-V373 WeakPolarHBondContact CA-O 3.24Å; F350-V373 HydrophobicContact CD1-CB 3.64Å; F350-V373 HydrophobicContact CD1-CG1 3.9Å; F350-V373 HydrophobicContact CD1-CG2 4.42Å; F350-V373 HydrophobicContact CE1-CB 3.92Å; F350-V373 HydrophobicContact CE1-CG1 3.91Å; F350-V373 HydrophobicContact CE1-CG2 4.35Å; C351-V373 PolarHBondContact N-O 3.5Å; V373-V375 PolarHBondContact O-N 2.79Å; V373-V396 HydrophobicContact CG1-CG2 4.28Å; V373-I418 HydrophobicContact CG2-CG2 4.45Å; V373-M421 HydrophobicContact CG1-CB 4.12Å; V373-M421 HydrophobicContact CG1-SD 4Å; V373-M421 HydrophobicContact CG2-CB 3.74Å; V373-Q422 HydrophobicContact CG2-CG 3.67Å
374	P	98.3	Very high	96.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	128.3	175.5	23.3	-33.1	0	0	0	111.8	C351 V353 L364 V367 L368 C372 V376 A394 S395 V396	C351-P374 CarbonylContact O-C 3.57Å; C351-P374 WeakPolarHBondContact O-CA 3.33Å; V353-P374 HydrophobicContact CG2-CB 4.13Å; L364-P374 HydrophobicContact CD1-CB 3.89Å; L364-P374 HydrophobicContact CD1-CG 4.21Å; V367-P374 HydrophobicContact CG1-CB 3.75Å; V367-P374 HydrophobicContact CG1-CG 4.29Å; L368-P374 HydrophobicContact CD2-CG 3.98Å; C372-P374 WeakPolarHBondContact O-CD 3.39Å; P374-V376 HydrophobicContact CB-CG2 4.34Å; P374-A394 VanDerWaalsContact CD-O 3.28Å; P374-A394 WeakPolarHBondContact CD-O 3.24Å; P374-S395 WeakPolarHBondContact O-CA 3.43Å; P374-S395 WeakPolarHBondContact O-CB 3.42Å; P374-V396 PolarHBondContact O-N 3.48Å
375	V	98.4	Very high	96.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	98.6	170.6	-175.2	0	0	0	0	107.3	L287 F350 C351 V353 V373 I377 V396 V398 V406 L410	L287-V375 HydrophobicContact CD1-CG2 4.34Å; F350-V375 HydrophobicContact CB-CG2 3.73Å; F350-V375 HydrophobicContact CD1-CG2 3.81Å; F350-V375 HydrophobicContact CG-CG2 4.12Å; C351-V375 PolarHBondContact O-N 3.42Å; V353-V375 PolarHBondContact N-O 2.89Å; V373-V375 PolarHBondContact O-N 2.79Å; V375-I377 HydrophobicContact CG1-CD1 4.34Å; V375-I377 HydrophobicContact CG1-CG1 4.26Å; V375-V396 CarbonylContact C-O 3.57Å; V375-V396 VanDerWaalsContact CA-O 3.28Å; V375-V396 WeakPolarHBondContact CA-O 3.25Å; V375-V398 HydrophobicContact CG1-CG2 4.14Å; V375-V406 HydrophobicContact CG1-CG2 3.72Å; V375-L410 HydrophobicContact CG1-CD1 4.45Å; V375-L410 HydrophobicContact CG1-CD2 4.42Å; V375-L410 HydrophobicContact CG2-CD1 3.91Å; V375-L410 HydrophobicContact CG2-CD2 3.78Å; V375-L410 HydrophobicContact CG2-CG 4.48Å
376	V	97.8	Very high	96.4	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.018	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.7	-171.4	-176.9	0	0	0	0	109.1	V353 P374 A378 Y381 L383 V396 V397 V398	V353-V376 HydrophobicContact CB-CG2 4.47Å; V353-V376 WeakPolarHBondContact O-CA 3.26Å; P374-V376 HydrophobicContact CB-CG2 4.34Å; V376-A378 HydrophobicContact CG1-CB 4.45Å; V376-Y381 HydrophobicContact CG1-CD1 4.43Å; V376-L383 HydrophobicContact CG1-CD2 4.28Å; V376-L383 HydrophobicContact CG2-CD2 4.16Å; V376-V396 PolarHBondContact N-O 2.69Å; V376-V397 HydrophobicContact CB-CG2 4.34Å; V376-V398 PolarHBondContact O-N 2.78Å
377	I	96.6	Very high	96.2	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	73.3	-179.6	-52.2	174.6	0	0	0	107.1	V352 V353 L354 R355 V375 V398 E400 M403 V406	V352-I377 HydrophobicContact CG1-CD1 4.22Å; V353-I377 PolarHBondContact O-N 2.84Å; L354-I377 CarbonylContact C-O 3.48Å; L354-I377 WeakPolarHBondContact CA-O 3.5Å; L354-I377 HydrophobicContact CD2-CB 3.73Å; L354-I377 HydrophobicContact CD2-CD1 4.35Å; L354-I377 HydrophobicContact CD2-CG2 3.66Å; L354-I377 HydrophobicContact CG-CB 4.27Å; R355-I377 PolarHBondContact N-O 3.4Å; V375-I377 HydrophobicContact CG1-CD1 4.34Å; V375-I377 HydrophobicContact CG1-CG1 4.26Å; I377-V398 HydrophobicContact CG1-CB 4.28Å; I377-E400 HydrophobicContact CG2-CB 4.49Å; I377-E400 HydrophobicContact CG2-CG 4.07Å; I377-M403 HydrophobicContact CD1-CG 4.4Å; I377-V406 HydrophobicContact CD1-CG2 4.21Å
378	A	94.8	Very high	96.1	Very high	9 Å²	9	16.9 Å²	16.9	7%	0.074	10%	0.098	C	C	.	.			trans	-152.4	97.2	-178	0	0	0	0	0	109.3	R355 V376 Y381	R355-A378 HydrophobicContact CB-CB 4.05Å; V376-A378 HydrophobicContact CG1-CB 4.45Å; A378-Y381 HydrophobicContact CB-CD1 4.48Å; A378-Y381 WeakPolarHBondContact O-CB 3.47Å; A378-Y381 PolarHBondContact O-N 3.47Å
379	D	93.5	Very high	96	Very high	67 Å²	67	17.1 Å²	17.1	36%	0.358	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	145.2	-174.9	-73.9	-12.1	0	0	0	110.5	Y381 P399 E400	D379-Y381 PolarHBondContact O-N 2.92Å; D379-P399 WeakPolarHBondContact OD1-CA 3.3Å; D379-E400 HydrophobicContact CB-CG 4.21Å; D379-E400 PolarHBondContact N-OE1 3.34Å; D379-E400 PolarHBondContact OD1-N 2.78Å; D379-E400 VanDerWaalsContact OD1-N 3.11Å
380	S	93.8	Very high	95.8	Very high	53 Å²	53	18.9 Å²	18.9	37%	0.371	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-0.3	-176.2	-55.8	0	0	0	0	116.9	S251 T252 I382	S251-S380 CarbonylContact C-O 3.5Å; S251-S380 WeakPolarHBondContact CA-O 3.44Å; T252-S380 PolarHBondContact N-O 3.45Å; T252-S380 VanDerWaalsContact OG1-CB 3.31Å; T252-S380 WeakPolarHBondContact OG1-CB 3.4Å; T252-S380 PolarHBondContact OG1-OG 2.81Å; S380-I382 PolarHBondContact O-N 3.48Å
381	Y	96.4	Very high	95.7	Very high	23 Å²	23	19.5 Å²	19.5	9%	0.09	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-69.8	128.1	178	176.4	-136.6	0	0	0	111.9	L359 V376 A378 D379 L383	L359-Y381 HydrophobicContact CB-CD2 3.72Å; L359-Y381 HydrophobicContact CB-CE2 4.38Å; L359-Y381 HydrophobicContact CB-CG 4.17Å; V376-Y381 HydrophobicContact CG1-CD1 4.43Å; A378-Y381 HydrophobicContact CB-CD1 4.48Å; A378-Y381 WeakPolarHBondContact O-CB 3.47Å; A378-Y381 PolarHBondContact O-N 3.47Å; D379-Y381 PolarHBondContact O-N 2.92Å; Y381-L383 HydrophobicContact CD1-CD2 4.01Å; Y381-L383 HydrophobicContact CE1-CD2 3.68Å; Y381-L383 HydrophobicContact CE1-CG 4.49Å; Y381-L383 PolarHBondContact O-N 3.29Å
382	I	97.3	Very high	95.4	Very high	23 Å²	23	27.1 Å²	27.1	12%	0.118	14%	0.142	C	C	.	.			trans	-88.6	104.2	175	-54.3	-56.4	0	0	0	109.1	F250 T252 Y255 S262 S380	F250-I382 HydrophobicContact CB-CB 4.03Å; F250-I382 HydrophobicContact CB-CG1 4.2Å; F250-I382 PolarHBondContact O-N 3.15Å; T252-I382 HydrophobicContact CG2-CD1 3.75Å; Y255-I382 HydrophobicContact CD1-CD1 4.31Å; Y255-I382 HydrophobicContact CD1-CG1 3.98Å; Y255-I382 HydrophobicContact CD1-CG2 3.88Å; Y255-I382 HydrophobicContact CD2-CG2 4.48Å; Y255-I382 HydrophobicContact CE1-CG2 3.91Å; Y255-I382 HydrophobicContact CG-CB 4.49Å; Y255-I382 HydrophobicContact CG-CG1 4Å; Y255-I382 HydrophobicContact CG-CG2 4.17Å; S262-I382 PolarHBondContact OG-O 2.83Å; S380-I382 PolarHBondContact O-N 3.48Å
383	L	97.5	Very high	95.1	Very high	17 Å²	17	30.6 Å²	30.6	9%	0.089	16%	0.155	C	C	.	.			trans	-56.5	149.4	-179.9	-73.5	166.9	0	0	0	112.3	S262 L364 V376 Y381 F385 S386 W391 V397	S262-L383 WeakPolarHBondContact CB-O 3.34Å; S262-L383 PolarHBondContact OG-O 3.39Å; L364-L383 HydrophobicContact CD2-CD2 3.92Å; V376-L383 HydrophobicContact CG1-CD2 4.28Å; V376-L383 HydrophobicContact CG2-CD2 4.16Å; Y381-L383 HydrophobicContact CD1-CD2 4.01Å; Y381-L383 HydrophobicContact CE1-CD2 3.68Å; Y381-L383 HydrophobicContact CE1-CG 4.49Å; Y381-L383 PolarHBondContact O-N 3.29Å; L383-F385 PolarHBondContact O-N 3.29Å; L383-S386 VanDerWaalsContact O-CB 3.25Å; L383-S386 WeakPolarHBondContact O-CB 3.31Å; L383-S386 PolarHBondContact O-N 2.78Å; L383-S386 PolarHBondContact O-OG 3.16Å; L383-W391 HydrophobicContact CB-CD2 3.98Å; L383-W391 HydrophobicContact CB-CG 4.01Å; L383-W391 HydrophobicContact CB-CZ2 4.33Å; L383-W391 HydrophobicContact CD1-CB 3.8Å; L383-W391 HydrophobicContact CD1-CD2 3.77Å; L383-W391 HydrophobicContact CD1-CE3 4.13Å; L383-W391 HydrophobicContact CD1-CG 3.59Å; L383-W391 HydrophobicContact CG-CD2 4.31Å; L383-W391 HydrophobicContact CG-CG 4.39Å; L383-V397 HydrophobicContact CD1-CG2 4.16Å
384	P	98	Very high	94.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	135.8	-178.4	-27.5	37	0	0	0	112.6	P264 L364 S386 W391 F433	P264-P384 HydrophobicContact CB-CB 3.92Å; P264-P384 HydrophobicContact CB-CG 3.81Å; P264-P384 HydrophobicContact CG-CB 4.39Å; L364-P384 HydrophobicContact CD2-CG 3.97Å; P384-S386 PolarHBondContact O-N 3.01Å; P384-W391 HydrophobicContact CB-CZ2 4.28Å; P384-W391 HydrophobicContact CG-CZ2 4.47Å; P384-W391 WeakPolarHBondContact O-CZ2 3.44Å; P384-W391 PolarHBondContact O-NE1 3.46Å; P384-F433 HydrophobicContact CB-CE1 4.32Å; P384-F433 HydrophobicContact CB-CE2 4.43Å; P384-F433 HydrophobicContact CB-CZ 3.7Å; P384-F433 HydrophobicContact CG-CE1 4.13Å; P384-F433 HydrophobicContact CG-CZ 3.92Å
385	F	98.3	Very high	94.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	26.6	179	-50	-55.4	0	0	0	114.5	V261 S262 I263 P264 L383 E387 V388 L389 F433 I439 A442 I446	V261-F385 HydrophobicContact CG1-CD1 4.05Å; V261-F385 HydrophobicContact CG1-CE1 4.19Å; S262-F385 VanDerWaalsContact O-CD1 3.27Å; S262-F385 WeakPolarHBondContact O-CD1 3.42Å; S262-F385 PolarHBondContact O-N 2.94Å; I263-F385 HydrophobicContact CB-CE1 4.4Å; I263-F385 HydrophobicContact CB-CZ 4.49Å; I263-F385 HydrophobicContact CG2-CE1 3.85Å; I263-F385 HydrophobicContact CG2-CZ 4.32Å; P264-F385 HydrophobicContact CG-CE2 4.19Å; L383-F385 PolarHBondContact O-N 3.29Å; F385-E387 PolarHBondContact O-N 2.03Å; F385-V388 HydrophobicContact CB-CG2 4.1Å; F385-V388 WeakPolarHBondContact O-CG2 3.47Å; F385-V388 PolarHBondContact O-N 3.01Å; F385-L389 HydrophobicContact CB-CD1 3.84Å; F385-L389 HydrophobicContact CB-CG 3.82Å; F385-L389 HydrophobicContact CD2-CD1 4.15Å; F385-L389 PolarHBondContact O-N 3.41Å; F385-F433 HydrophobicContact CD2-CE2 4.49Å; F385-I439 HydrophobicContact CZ-CG2 4.2Å; F385-A442 HydrophobicContact CE1-CB 4.05Å; F385-A442 HydrophobicContact CE2-CB 4.12Å; F385-A442 HydrophobicContact CZ-CB 3.75Å; F385-I446 HydrophobicContact CB-CD1 4.14Å; F385-I446 HydrophobicContact CD1-CD1 3.4Å; F385-I446 VanDerWaalsContact CD1-CD1 3.4Å; F385-I446 HydrophobicContact CE1-CD1 4.12Å; F385-I446 HydrophobicContact CG-CD1 4.1Å
386	S	94.4	Very high	94.8	Very high	51 Å²	51	31.6 Å²	31.6	36%	0.357	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-3	-174.6	69.7	0	0	0	0	115.6	L383 P384	L383-S386 VanDerWaalsContact O-CB 3.25Å; L383-S386 WeakPolarHBondContact O-CB 3.31Å; L383-S386 PolarHBondContact O-N 2.78Å; L383-S386 PolarHBondContact O-OG 3.16Å; P384-S386 PolarHBondContact O-N 3.01Å
387	E	92.1	Very high	94.7	Very high	72 Å²	72	35.8 Å²	35.8	34%	0.336	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-20	171.2	67.1	-170.7	111.3	0	0	113.4	F385 I446 R450	F385-E387 PolarHBondContact O-N 2.03Å; E387-I446 HydrophobicContact CG-CD1 4.48Å; E387-I446 HydrophobicContact CG-CG2 4.2Å; E387-I446 WeakPolarHBondContact OE1-CG2 3.47Å; E387-I446 WeakPolarHBondContact OE2-CG2 3.49Å; E387-R450 IonicContact OE1-CZ 2.66Å; E387-R450 IonicContact OE1-NH2 2.71Å; E387-R450 PolarHBondContact OE1-NH2 3Å; E387-R450 IonicContact OE2-CZ 3.13Å; E387-R450 VanDerWaalsContact OE2-CZ 3.28Å; E387-R450 IonicContact OE2-NE 3.3Å; E387-R450 PolarHBondContact OE2-NE 3.15Å; E387-R450 IonicContact OE2-NH2 2.79Å; E387-R450 PolarHBondContact OE2-NH2 2.95Å
388	V	94.6	Very high	94.6	Very high	25 Å²	25	35.9 Å²	35.9	15%	0.152	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-27	178.7	-72.2	0	0	0	0	113.5	F385 I446 W462 N463	F385-V388 HydrophobicContact CB-CG2 4.1Å; F385-V388 WeakPolarHBondContact O-CG2 3.47Å; F385-V388 PolarHBondContact O-N 3.01Å; V388-I446 HydrophobicContact CG1-CG1 4.26Å; V388-I446 HydrophobicContact CG2-CD1 3.69Å; V388-I446 HydrophobicContact CG2-CG1 3.88Å; V388-W462 HydrophobicContact CB-CB 4.41Å; V388-W462 HydrophobicContact CB-CD2 3.76Å; V388-W462 HydrophobicContact CB-CE3 4.33Å; V388-W462 HydrophobicContact CB-CG 3.78Å; V388-W462 HydrophobicContact CG1-CD2 4.25Å; V388-W462 HydrophobicContact CG1-CG 4.31Å; V388-W462 HydrophobicContact CG1-CZ2 4.32Å; V388-W462 HydrophobicContact CG2-CD2 3.83Å; V388-W462 HydrophobicContact CG2-CE3 3.91Å; V388-W462 HydrophobicContact CG2-CG 4.34Å; V388-W462 HydrophobicContact CG2-CH2 4.32Å; V388-W462 HydrophobicContact CG2-CZ2 4.24Å; V388-W462 HydrophobicContact CG2-CZ3 4.16Å; V388-N463 PolarHBondContact O-ND2 3.02Å
389	L	95.4	Very high	94.6	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	20%	0.2	C	C	.	.	S	Bend	trans	-93.4	122.9	177.7	-57.1	-170.5	0	0	0	111.5	F385 W391 F428 Y432 F433 W462	F385-L389 HydrophobicContact CB-CD1 3.84Å; F385-L389 HydrophobicContact CB-CG 3.82Å; F385-L389 HydrophobicContact CD2-CD1 4.15Å; F385-L389 PolarHBondContact O-N 3.41Å; L389-W391 VanDerWaalsContact O-CD1 3.27Å; L389-W391 PolarHBondContact O-N 2.64Å; L389-W391 VanDerWaalsContact O-N 3.14Å; L389-F428 HydrophobicContact CB-CE1 4.39Å; L389-F428 HydrophobicContact CB-CE2 4.05Å; L389-F428 HydrophobicContact CB-CZ 3.86Å; L389-F428 HydrophobicContact CD1-CD1 4.45Å; L389-F428 HydrophobicContact CD1-CD2 4.36Å; L389-F428 HydrophobicContact CD1-CE2 4.46Å; L389-F428 HydrophobicContact CD1-CG 4.36Å; L389-F428 HydrophobicContact CD2-CD1 4.42Å; L389-F428 HydrophobicContact CD2-CE1 3.99Å; L389-F428 HydrophobicContact CD2-CZ 4.33Å; L389-F428 HydrophobicContact CG-CZ 4.46Å; L389-Y432 HydrophobicContact CD1-CD2 3.72Å; L389-Y432 HydrophobicContact CD1-CE2 4.28Å; L389-Y432 HydrophobicContact CD1-CG 4.43Å; L389-Y432 HydrophobicContact CD2-CD2 3.7Å; L389-Y432 HydrophobicContact CD2-CE2 3.39Å; L389-Y432 HydrophobicContact CG-CD2 4.36Å; L389-Y432 HydrophobicContact CG-CE2 4.48Å; L389-F433 HydrophobicContact CD1-CE2 4.46Å; L389-W462 HydrophobicContact CD2-CB 4.42Å; L389-W462 HydrophobicContact CD2-CE3 4.15Å
390	D	90.2	Very high	94.7	Very high	39 Å²	39	36.2 Å²	36.2	21%	0.209	19%	0.19	C	C	.	.			trans	-80.6	93.9	172.1	-178.8	15.1	0	0	0	111	K392 R393 Y459 N463	D390-K392 PolarHBondContact O-N 2.84Å; D390-K392 VanDerWaalsContact OD1-CB 3.22Å; D390-K392 WeakPolarHBondContact OD1-CB 3.37Å; D390-K392 WeakPolarHBondContact OD1-CG 3.47Å; D390-K392 PolarHBondContact OD1-N 3Å; D390-R393 HydrophobicContact CB-CG 4.44Å; D390-R393 WeakPolarHBondContact O-CB 3.42Å; D390-R393 PolarHBondContact O-N 2.72Å; D390-R393 VanDerWaalsContact O-N 3.1Å; D390-R393 WeakPolarHBondContact OD2-CG 3.19Å; D390-Y459 HydrophobicContact CB-CE2 3.97Å; D390-Y459 WeakPolarHBondContact CB-OH 3.37Å; D390-Y459 PolarHBondContact OD2-OH 3.02Å; D390-Y459 VanDerWaalsContact OD2-OH 3.05Å; D390-N463 PolarHBondContact N-OD1 2.77Å
391	W	93.3	Very high	94.7	Very high	15 Å²	15	41 Å²	41	6%	0.057	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62	-18.9	176.3	-74.9	95.6	0	0	0	114.2	L364 L368 L383 P384 L389 R393 A394 S395 F428 F433	L364-W391 HydrophobicContact CD1-CH2 4.43Å; L364-W391 HydrophobicContact CD1-CZ3 4.21Å; L364-W391 HydrophobicContact CD2-CH2 4.09Å; L364-W391 HydrophobicContact CG-CH2 4.46Å; L368-W391 HydrophobicContact CD1-CH2 3.94Å; L368-W391 HydrophobicContact CD1-CZ3 4.29Å; L368-W391 HydrophobicContact CD2-CZ3 4.25Å; L383-W391 HydrophobicContact CB-CD2 3.98Å; L383-W391 HydrophobicContact CB-CG 4.01Å; L383-W391 HydrophobicContact CB-CZ2 4.33Å; L383-W391 HydrophobicContact CD1-CB 3.8Å; L383-W391 HydrophobicContact CD1-CD2 3.77Å; L383-W391 HydrophobicContact CD1-CE3 4.13Å; L383-W391 HydrophobicContact CD1-CG 3.59Å; L383-W391 HydrophobicContact CG-CD2 4.31Å; L383-W391 HydrophobicContact CG-CG 4.39Å; P384-W391 HydrophobicContact CB-CZ2 4.28Å; P384-W391 HydrophobicContact CG-CZ2 4.47Å; P384-W391 WeakPolarHBondContact O-CZ2 3.44Å; P384-W391 PolarHBondContact O-NE1 3.46Å; L389-W391 VanDerWaalsContact O-CD1 3.27Å; L389-W391 PolarHBondContact O-N 2.64Å; L389-W391 VanDerWaalsContact O-N 3.14Å; W391-R393 PolarHBondContact O-N 3.4Å; W391-A394 PolarHBondContact O-N 3.19Å; W391-S395 WeakPolarHBondContact O-CB 3.4Å; W391-S395 PolarHBondContact O-N 3.47Å; W391-S395 PolarHBondContact O-OG 3.02Å; W391-F428 HydrophobicContact CH2-CD2 4.49Å; W391-F428 HydrophobicContact CZ3-CD2 4.45Å; W391-F433 HydrophobicContact CH2-CE1 4.37Å; W391-F433 HydrophobicContact CH2-CE2 4.31Å; W391-F433 AromaticContact CH2-CZ 3.6Å; W391-F433 HydrophobicContact CH2-CZ 3.6Å; W391-F433 HydrophobicContact CZ2-CE2 4.32Å; W391-F433 AromaticContact CZ2-CZ 3.75Å; W391-F433 HydrophobicContact CZ2-CZ 3.75Å
392	K	87.6	Confident	94.6	Very high	167 Å²	167	44.4 Å²	44.4	73%	0.726	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-66.7	-24.1	173.9	-59.2	178.1	178.4	180	0	112.5	D390 M421	D390-K392 PolarHBondContact O-N 2.84Å; D390-K392 VanDerWaalsContact OD1-CB 3.22Å; D390-K392 WeakPolarHBondContact OD1-CB 3.37Å; D390-K392 WeakPolarHBondContact OD1-CG 3.47Å; D390-K392 PolarHBondContact OD1-N 3Å; K392-M421 WeakPolarHBondContact O-CE 3.3Å
393	R	89.8	Confident	94.3	Very high	72 Å²	72	43.5 Å²	43.5	27%	0.272	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-81.3	-16.9	176	-68.5	172	57.9	159.3	-0.8	113.3	D390 W391 M421 Q424 N463 D464	D390-R393 HydrophobicContact CB-CG 4.44Å; D390-R393 WeakPolarHBondContact O-CB 3.42Å; D390-R393 PolarHBondContact O-N 2.72Å; D390-R393 VanDerWaalsContact O-N 3.1Å; D390-R393 WeakPolarHBondContact OD2-CG 3.19Å; W391-R393 PolarHBondContact O-N 3.4Å; R393-M421 WeakPolarHBondContact O-CA 3.27Å; R393-M421 WeakPolarHBondContact O-CG 3.18Å; R393-Q424 HydrophobicContact CB-CG 3.79Å; R393-Q424 WeakPolarHBondContact O-CB 3.46Å; R393-Q424 WeakPolarHBondContact O-CG 3.37Å; R393-N463 PolarHBondContact NH2-O 2.93Å; R393-N463 VanDerWaalsContact NH2-O 3.11Å; R393-D464 IonicContact CZ-OD1 2.75Å; R393-D464 IonicContact NH1-OD1 2.71Å; R393-D464 PolarHBondContact NH1-OD1 2.91Å; R393-D464 IonicContact NH2-OD1 3.47Å; R393-D464 PolarHBondContact NH2-OD1 2.74Å
394	A	94.4	Very high	94	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-14.9	-171.8	0	0	0	0	0	114.5	P374 W391 Q424 F428	P374-A394 VanDerWaalsContact CD-O 3.28Å; P374-A394 WeakPolarHBondContact CD-O 3.24Å; W391-A394 PolarHBondContact O-N 3.19Å; A394-Q424 HydrophobicContact CB-CB 4.16Å; A394-Q424 HydrophobicContact CB-CG 3.78Å; A394-F428 HydrophobicContact CB-CD2 3.54Å; A394-F428 HydrophobicContact CB-CE2 3.48Å; A394-F428 VanDerWaalsContact CB-CE2 3.48Å; A394-F428 HydrophobicContact CB-CG 4.49Å; A394-F428 HydrophobicContact CB-CZ 4.42Å
395	S	97.3	Very high	93.8	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.035	26%	0.255	C	S	.	.			trans	-146	161.8	-169.7	71.4	0	0	0	0	112.4	P374 W391	P374-S395 WeakPolarHBondContact O-CA 3.43Å; P374-S395 WeakPolarHBondContact O-CB 3.42Å; W391-S395 WeakPolarHBondContact O-CB 3.4Å; W391-S395 PolarHBondContact O-N 3.47Å; W391-S395 PolarHBondContact O-OG 3.02Å
396	V	97.1	Very high	93.7	Very high	16 Å²	16	49.8 Å²	49.8	10%	0.097	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.3	167.9	-172.5	0	0	0	0	107.6	F350 V373 P374 V375 V376 V398 L410 I413 M421	F350-V396 HydrophobicContact CE1-CG2 4.15Å; V373-V396 HydrophobicContact CG1-CG2 4.28Å; P374-V396 PolarHBondContact O-N 3.48Å; V375-V396 CarbonylContact C-O 3.57Å; V375-V396 VanDerWaalsContact CA-O 3.28Å; V375-V396 WeakPolarHBondContact CA-O 3.25Å; V376-V396 PolarHBondContact N-O 2.69Å; V396-V398 HydrophobicContact CG1-CG2 3.91Å; V396-L410 HydrophobicContact CB-CD2 4.02Å; V396-L410 HydrophobicContact CG1-CD2 3.96Å; V396-L410 HydrophobicContact CG2-CD2 3.89Å; V396-I413 HydrophobicContact CG1-CD1 4.39Å; V396-I413 HydrophobicContact CG2-CD1 3.56Å; V396-M421 HydrophobicContact CG2-CE 4.42Å; V396-M421 HydrophobicContact CG2-SD 4.32Å
397	V	95.4	Very high	93.8	Very high	92 Å²	92	48.5 Å²	48.5	56%	0.558	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.9	174.7	-175.6	0	0	0	0	108.4	V376 L383	V376-V397 HydrophobicContact CB-CG2 4.34Å; L383-V397 HydrophobicContact CD1-CG2 4.16Å
398	V	95.8	Very high	94	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.249	C	C	.	.			trans	-124.1	125.9	-179	-179.3	0	0	0	0	108.4	V375 V376 I377 V396 K402 V406 I409	V375-V398 HydrophobicContact CG1-CG2 4.14Å; V376-V398 PolarHBondContact O-N 2.78Å; I377-V398 HydrophobicContact CG1-CB 4.28Å; V396-V398 HydrophobicContact CG1-CG2 3.91Å; V398-K402 HydrophobicContact CG1-CB 3.99Å; V398-V406 HydrophobicContact CG2-CG2 4.34Å; V398-I409 HydrophobicContact CG1-CD1 4.02Å; V398-I409 HydrophobicContact CG2-CG2 4.47Å
399	P	94.9	Very high	94	Very high	51 Å²	51	49.4 Å²	49.4	33%	0.331	25%	0.254	S	S	.	.			trans	-56.9	145.3	176.3	-24.9	34.5	0	0	0	112	D379 E401 K402	D379-P399 WeakPolarHBondContact OD1-CA 3.3Å; P399-E401 HydrophobicContact CB-CG 3.83Å; P399-E401 PolarHBondContact O-N 3.29Å; P399-K402 PolarHBondContact O-N 2.8Å
400	E	94.3	Very high	94.1	Very high	32 Å²	32	49.2 Å²	49.2	15%	0.15	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-56.2	-38.2	-179	-68	179.8	-154.8	0	0	111.8	Y298 R355 I377 D379 K402 M403	Y298-E400 PolarHBondContact OH-OE2 3.45Å; R355-E400 WeakPolarHBondContact CD-OE1 3.11Å; R355-E400 IonicContact NH1-OE1 3.77Å; R355-E400 IonicContact NH1-OE2 3.69Å; I377-E400 HydrophobicContact CG2-CB 4.49Å; I377-E400 HydrophobicContact CG2-CG 4.07Å; D379-E400 HydrophobicContact CB-CG 4.21Å; D379-E400 PolarHBondContact N-OE1 3.34Å; D379-E400 PolarHBondContact OD1-N 2.78Å; D379-E400 VanDerWaalsContact OD1-N 3.11Å; E400-K402 PolarHBondContact O-N 2.87Å; E400-K402 VanDerWaalsContact O-N 3.12Å; E400-M403 WeakPolarHBondContact O-CB 3.22Å; E400-M403 PolarHBondContact O-N 2.83Å
401	E	94.3	Very high	94.3	Very high	154 Å²	154	53 Å²	53	72%	0.72	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-60.6	-18	175.1	54.1	157.7	-139.6	0	0	115.4	P399	P399-E401 HydrophobicContact CB-CG 3.83Å; P399-E401 PolarHBondContact O-N 3.29Å
402	K	93.9	Very high	94.3	Very high	93 Å²	93	56.8 Å²	56.8	40%	0.404	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-106.3	15.3	-178.1	-64.4	-171.2	-177.4	-179	0	113.4	V398 P399 E400 S404 D405 V406 I409	V398-K402 HydrophobicContact CG1-CB 3.99Å; P399-K402 PolarHBondContact O-N 2.8Å; E400-K402 PolarHBondContact O-N 2.87Å; E400-K402 VanDerWaalsContact O-N 3.12Å; K402-S404 PolarHBondContact O-N 3.36Å; K402-D405 PolarHBondContact O-N 3.22Å; K402-V406 PolarHBondContact O-N 2.71Å; K402-I409 HydrophobicContact CB-CD1 4.41Å
403	M	92.1	Very high	94.2	Very high	4 Å²	4	50 Å²	50	2%	0.02	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-57.2	-35.2	-178.9	-176.1	164.1	176.2	0	0	113.3	Y298 D301 L302 L354 I377 E400 D405 V406	Y298-M403 HydrophobicContact CD1-SD 3.72Å; Y298-M403 HydrophobicContact CG-SD 4.49Å; Y298-M403 VanDerWaalsContact O-CE 3.31Å; Y298-M403 WeakPolarHBondContact O-CE 3.14Å; D301-M403 HydrophobicContact CB-CE 3.8Å; D301-M403 HydrophobicContact CB-CG 4.18Å; D301-M403 HydrophobicContact CB-SD 4.06Å; L302-M403 HydrophobicContact CD1-CE 4.42Å; L302-M403 HydrophobicContact CD2-CE 3.93Å; L302-M403 HydrophobicContact CG-CE 3.6Å; L354-M403 HydrophobicContact CD1-CE 3.91Å; L354-M403 HydrophobicContact CD2-CE 3.93Å; L354-M403 HydrophobicContact CD2-SD 3.8Å; L354-M403 HydrophobicContact CG-CE 4.5Å; I377-M403 HydrophobicContact CD1-CG 4.4Å; E400-M403 WeakPolarHBondContact O-CB 3.22Å; E400-M403 PolarHBondContact O-N 2.83Å; M403-D405 VanDerWaalsContact C-N 3.29Å; M403-D405 PolarHBondContact O-N 3.49Å; M403-V406 WeakPolarHBondContact O-CB 3.03Å; M403-V406 WeakPolarHBondContact O-CG1 3.33Å; M403-V406 PolarHBondContact O-N 3.43Å
404	S	91.1	Very high	93.9	Very high	65 Å²	65	50.2 Å²	50.2	46%	0.455	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-67	-25.5	176.5	56.5	0	0	0	0	114.3	K402	K402-S404 PolarHBondContact O-N 3.36Å
405	D	94.2	Very high	93.5	Very high	83 Å²	83	54 Å²	54	44%	0.444	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-94.6	-0.7	176.6	-76.2	-38.8	0	0	0	113.2	K402 M403 Y407 S408 I409	K402-D405 PolarHBondContact O-N 3.22Å; M403-D405 VanDerWaalsContact C-N 3.29Å; M403-D405 PolarHBondContact O-N 3.49Å; D405-Y407 PolarHBondContact O-N 3.06Å; D405-S408 PolarHBondContact O-N 3.38Å; D405-S408 PolarHBondContact O-OG 3.3Å; D405-I409 HydrophobicContact CB-CD1 4.16Å; D405-I409 HydrophobicContact CB-CG1 4.48Å; D405-I409 WeakPolarHBondContact O-CG1 3.24Å; D405-I409 PolarHBondContact O-N 3.39Å
406	V	96.2	Very high	92.6	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-52.7	-39.9	-174.5	73.7	0	0	0	0	112.5	L287 L305 V375 I377 V398 K402 M403 I409 L410	L287-V406 HydrophobicContact CD2-CG1 4.3Å; L305-V406 HydrophobicContact CD1-CG1 3.5Å; L305-V406 HydrophobicContact CD2-CG1 4.25Å; V375-V406 HydrophobicContact CG1-CG2 3.72Å; I377-V406 HydrophobicContact CD1-CG2 4.21Å; V398-V406 HydrophobicContact CG2-CG2 4.34Å; K402-V406 PolarHBondContact O-N 2.71Å; M403-V406 WeakPolarHBondContact O-CB 3.03Å; M403-V406 WeakPolarHBondContact O-CG1 3.33Å; M403-V406 PolarHBondContact O-N 3.43Å; V406-I409 PolarHBondContact O-N 2.83Å; V406-L410 HydrophobicContact CG2-CD1 4Å; V406-L410 HydrophobicContact CG2-CG 4.37Å; V406-L410 WeakPolarHBondContact O-CB 3.06Å; V406-L410 WeakPolarHBondContact O-CG 3.39Å; V406-L410 PolarHBondContact O-N 3.05Å
407	Y	96.6	Very high	91.8	Very high	23 Å²	23	65.9 Å²	65.9	9%	0.09	34%	0.344	C	S	.	.	H	α-helix	trans	-66.7	-41.4	-179	-167.4	-84.8	0	0	0	112.6	F286 H309 V313 D405 L410 Q411	F286-Y407 AromaticContact CD1-CD2 3.81Å; F286-Y407 HydrophobicContact CD1-CD2 3.81Å; F286-Y407 AromaticContact CD1-CE2 3.41Å; F286-Y407 HydrophobicContact CD1-CE2 3.41Å; F286-Y407 VanDerWaalsContact CD1-CE2 3.41Å; F286-Y407 AromaticContact CD1-CZ 3.94Å; F286-Y407 HydrophobicContact CE1-CD2 4.04Å; F286-Y407 AromaticContact CE1-CE2 3.94Å; F286-Y407 HydrophobicContact CE1-CE2 3.94Å; F286-Y407 HydrophobicContact CE1-CG 4.44Å; F286-Y407 HydrophobicContact CG-CE2 4.27Å; H309-Y407 HydrophobicContact CB-CD2 4.16Å; H309-Y407 HydrophobicContact CB-CE2 3.77Å; H309-Y407 AromaticContact CD2-CD2 3.77Å; H309-Y407 AromaticContact CD2-CG 3.68Å; H309-Y407 AromaticContact CE1-CD1 3.24Å; H309-Y407 WeakPolarHBondContact CE1-CD1 3.35Å; H309-Y407 AromaticContact CE1-CE1 3.49Å; H309-Y407 VanDerWaalsContact CE1-CE1 3.49Å; H309-Y407 WeakPolarHBondContact CE1-CE1 3.38Å; H309-Y407 AromaticContact CE1-CG 3.69Å; H309-Y407 AromaticContact CG-CD1 3.98Å; H309-Y407 AromaticContact CG-CD2 3.73Å; H309-Y407 AromaticContact CG-CE1 3.91Å; H309-Y407 AromaticContact CG-CE2 3.67Å; H309-Y407 AromaticContact CG-CG 3.89Å; H309-Y407 AromaticContact CG-CZ 3.78Å; H309-Y407 AromaticContact ND1-CD1 3.51Å; H309-Y407 AromaticContact ND1-CE1 3.28Å; H309-Y407 VanDerWaalsContact ND1-CE1 3.28Å; H309-Y407 WeakPolarHBondContact ND1-CE1 3.45Å; H309-Y407 AromaticContact ND1-CE2 3.91Å; H309-Y407 AromaticContact ND1-CG 3.9Å; H309-Y407 AromaticContact ND1-CZ 3.52Å; H309-Y407 AromaticContact NE2-CD1 3.62Å; H309-Y407 AromaticContact NE2-CG 3.58Å; V313-Y407 HydrophobicContact CG2-CD2 3.94Å; V313-Y407 HydrophobicContact CG2-CE2 3.84Å; D405-Y407 PolarHBondContact O-N 3.06Å; Y407-L410 PolarHBondContact O-N 3.26Å; Y407-Q411 HydrophobicContact CD1-CG 3.98Å; Y407-Q411 HydrophobicContact CE1-CG 3.78Å; Y407-Q411 VanDerWaalsContact CE1-OE1 3.3Å; Y407-Q411 WeakPolarHBondContact O-CB 3.39Å; Y407-Q411 WeakPolarHBondContact O-CG 3.09Å; Y407-Q411 PolarHBondContact O-N 2.93Å
408	S	95.6	Very high	91.5	Very high	64 Å²	64	61.8 Å²	61.8	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-72.2	-36.5	179.6	59.8	0	0	0	0	111.7	D405 Q411 S412	D405-S408 PolarHBondContact O-N 3.38Å; D405-S408 PolarHBondContact O-OG 3.3Å; S408-Q411 PolarHBondContact O-N 3.41Å; S408-S412 PolarHBondContact O-N 3.29Å
409	I	94.3	Very high	91.2	Very high	53 Å²	53	64.3 Å²	64.3	27%	0.272	33%	0.331	S	S	.	.	H	α-helix	trans	-57.9	-52	171.4	-65.7	167.1	0	0	0	110	V398 K402 D405 V406 Q411 S412	V398-I409 HydrophobicContact CG1-CD1 4.02Å; V398-I409 HydrophobicContact CG2-CG2 4.47Å; K402-I409 HydrophobicContact CB-CD1 4.41Å; D405-I409 HydrophobicContact CB-CD1 4.16Å; D405-I409 HydrophobicContact CB-CG1 4.48Å; D405-I409 WeakPolarHBondContact O-CG1 3.24Å; D405-I409 PolarHBondContact O-N 3.39Å; V406-I409 PolarHBondContact O-N 2.83Å; I409-Q411 VanDerWaalsContact C-N 3.32Å; I409-Q411 PolarHBondContact O-N 3.32Å; I409-S412 WeakPolarHBondContact O-CB 3.35Å; I409-S412 PolarHBondContact O-N 3.37Å; I409-S412 VanDerWaalsContact O-N 3.12Å; I409-S412 PolarHBondContact O-OG 2.04Å
410	L	97.2	Very high	90.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-33.5	-179.1	-64.4	172.8	0	0	0	112.9	F286 L287 F350 V375 V396 V406 Y407 S412 I413	F286-L410 HydrophobicContact CE1-CB 3.78Å; F286-L410 HydrophobicContact CE1-CD1 4.46Å; F286-L410 HydrophobicContact CZ-CB 3.77Å; L287-L410 HydrophobicContact CD1-CD1 3.86Å; F350-L410 HydrophobicContact CB-CD1 4.09Å; F350-L410 HydrophobicContact CD1-CD1 4.41Å; F350-L410 HydrophobicContact CD1-CD2 3.68Å; F350-L410 HydrophobicContact CD2-CB 4.18Å; F350-L410 HydrophobicContact CD2-CD1 4.1Å; F350-L410 HydrophobicContact CD2-CD2 4.38Å; F350-L410 HydrophobicContact CD2-CG 4.45Å; F350-L410 HydrophobicContact CE1-CD2 3.67Å; F350-L410 HydrophobicContact CE2-CB 3.96Å; F350-L410 HydrophobicContact CE2-CD2 4.35Å; F350-L410 HydrophobicContact CG-CD1 3.96Å; F350-L410 HydrophobicContact CG-CD2 4.06Å; F350-L410 HydrophobicContact CG-CG 4.44Å; F350-L410 HydrophobicContact CZ-CB 4.24Å; F350-L410 HydrophobicContact CZ-CD2 4Å; V375-L410 HydrophobicContact CG1-CD1 4.45Å; V375-L410 HydrophobicContact CG1-CD2 4.42Å; V375-L410 HydrophobicContact CG2-CD1 3.91Å; V375-L410 HydrophobicContact CG2-CD2 3.78Å; V375-L410 HydrophobicContact CG2-CG 4.48Å; V396-L410 HydrophobicContact CB-CD2 4.02Å; V396-L410 HydrophobicContact CG1-CD2 3.96Å; V396-L410 HydrophobicContact CG2-CD2 3.89Å; V406-L410 HydrophobicContact CG2-CD1 4Å; V406-L410 HydrophobicContact CG2-CG 4.37Å; V406-L410 WeakPolarHBondContact O-CB 3.06Å; V406-L410 WeakPolarHBondContact O-CG 3.39Å; V406-L410 PolarHBondContact O-N 3.05Å; Y407-L410 PolarHBondContact O-N 3.26Å; L410-S412 PolarHBondContact O-N 3.46Å; L410-I413 HydrophobicContact CD2-CD1 4.15Å; L410-I413 PolarHBondContact O-N 2.87Å
411	Q	95.6	Very high	90.6	Very high	120 Å²	120	64.5 Å²	64.5	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-66.8	-22.2	174.4	-79.3	-169.3	-59.3	0	0	113.9	F286 Y407 S408 I409 I413	F286-Q411 HydrophobicContact CE1-CG 4.2Å; F286-Q411 HydrophobicContact CZ-CG 3.96Å; Y407-Q411 HydrophobicContact CD1-CG 3.98Å; Y407-Q411 HydrophobicContact CE1-CG 3.78Å; Y407-Q411 VanDerWaalsContact CE1-OE1 3.3Å; Y407-Q411 WeakPolarHBondContact O-CB 3.39Å; Y407-Q411 WeakPolarHBondContact O-CG 3.09Å; Y407-Q411 PolarHBondContact O-N 2.93Å; S408-Q411 PolarHBondContact O-N 3.41Å; I409-Q411 VanDerWaalsContact C-N 3.32Å; I409-Q411 PolarHBondContact O-N 3.32Å; Q411-I413 PolarHBondContact O-N 2.89Å
412	S	91.9	Very high	90.7	Very high	93 Å²	93	57.4 Å²	57.4	65%	0.65	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-13	176.7	75.6	0	0	0	0	113.8	S408 I409 L410 P414	S408-S412 PolarHBondContact O-N 3.29Å; I409-S412 WeakPolarHBondContact O-CB 3.35Å; I409-S412 PolarHBondContact O-N 3.37Å; I409-S412 VanDerWaalsContact O-N 3.12Å; I409-S412 PolarHBondContact O-OG 2.04Å; L410-S412 PolarHBondContact O-N 3.46Å; S412-P414 WeakPolarHBondContact O-CD 3.44Å
413	I	85.8	Confident	90.6	Very high	24 Å²	24	58.8 Å²	58.8	12%	0.123	30%	0.297	C	S	.	.	S	Bend	trans	-82.2	122.3	-175.9	-53.5	177.9	0	0	0	109.9	F350 V396 L410 Q411 Q417 I418	F350-I413 HydrophobicContact CE1-CD1 4.31Å; F350-I413 HydrophobicContact CZ-CD1 4.2Å; V396-I413 HydrophobicContact CG1-CD1 4.39Å; V396-I413 HydrophobicContact CG2-CD1 3.56Å; L410-I413 HydrophobicContact CD2-CD1 4.15Å; L410-I413 PolarHBondContact O-N 2.87Å; Q411-I413 PolarHBondContact O-N 2.89Å; I413-Q417 HydrophobicContact CG2-CB 4.06Å; I413-Q417 HydrophobicContact CG2-CG 4.08Å; I413-I418 HydrophobicContact CB-CD1 4.47Å; I413-I418 HydrophobicContact CB-CG1 4.24Å; I413-I418 HydrophobicContact CG2-CD1 4.47Å; I413-I418 HydrophobicContact CG2-CG1 3.73Å
414	P	84	Confident	90.7	Very high	77 Å²	77	59.1 Å²	59.1	50%	0.5	30%	0.298	S	S	.	.			trans	-61.2	140	178.3	-24.5	34.9	0	0	0	113	S412 R416 Q417 I418	S412-P414 WeakPolarHBondContact O-CD 3.44Å; P414-R416 PolarHBondContact O-N 2.73Å; P414-R416 VanDerWaalsContact O-N 3.08Å; P414-Q417 WeakPolarHBondContact O-CA 3.32Å; P414-Q417 WeakPolarHBondContact O-CB 3.08Å; P414-Q417 PolarHBondContact O-N 3.45Å; P414-I418 PolarHBondContact O-N 3.36Å; P414-I418 VanDerWaalsContact O-N 3.13Å
415	Q	85.9	Confident	90.8	Very high	80 Å²	80	56 Å²	56	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-51	-38	-178.7	178	57.8	31.6	0	0	113.8	Q417 I418 E419	Q415-Q417 PolarHBondContact O-N 2.89Å; Q415-I418 WeakPolarHBondContact O-CB 3.29Å; Q415-I418 PolarHBondContact O-N 2.86Å; Q415-E419 PolarHBondContact NE2-OE1 3Å; Q415-E419 WeakPolarHBondContact O-CG 3.47Å; Q415-E419 PolarHBondContact O-N 2.72Å
416	R	79.4	Confident	90.8	Very high	183 Å²	183	54.8 Å²	54.8	69%	0.691	27%	0.266	S	S	*	.	H	α-helix	trans	-61.1	-43	175.3	177.7	177.4	173.7	161.4	-0.7	112.6	P414 I418 E419 E420	P414-R416 PolarHBondContact O-N 2.73Å; P414-R416 VanDerWaalsContact O-N 3.08Å; R416-I418 VanDerWaalsContact C-N 3.33Å; R416-E419 PolarHBondContact O-N 2.71Å; R416-E420 WeakPolarHBondContact CG-OE1 3.27Å; R416-E420 IonicContact CZ-OE1 3.28Å; R416-E420 IonicContact NE-OE1 3.41Å; R416-E420 PolarHBondContact NE-OE1 2.75Å; R416-E420 IonicContact NH2-OE1 2.94Å; R416-E420 WeakPolarHBondContact O-CG 3.38Å; R416-E420 PolarHBondContact O-N 2.9Å
417	Q	79.5	Confident	90.7	Very high	88 Å²	88	56.9 Å²	56.9	41%	0.411	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-37.6	178.2	-174.2	178.6	4.5	0	0	110.6	I413 P414 Q415 E419 E420 M421	I413-Q417 HydrophobicContact CG2-CB 4.06Å; I413-Q417 HydrophobicContact CG2-CG 4.08Å; P414-Q417 WeakPolarHBondContact O-CA 3.32Å; P414-Q417 WeakPolarHBondContact O-CB 3.08Å; P414-Q417 PolarHBondContact O-N 3.45Å; Q415-Q417 PolarHBondContact O-N 2.89Å; Q417-E419 PolarHBondContact O-N 3.43Å; Q417-E420 PolarHBondContact O-N 3.17Å; Q417-M421 HydrophobicContact CG-CE 4.14Å; Q417-M421 WeakPolarHBondContact O-CB 3.41Å; Q417-M421 VanDerWaalsContact O-CG 3.3Å; Q417-M421 WeakPolarHBondContact O-CG 3.16Å; Q417-M421 PolarHBondContact O-N 3.27Å
418	I	89.9	Confident	90.7	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-59.6	-45.7	173	-60.9	177.8	0	0	0	110.8	T349 F350 V373 I413 P414 Q415 R416 E420 M421 Q422	T349-I418 HydrophobicContact CG2-CD1 4.43Å; T349-I418 HydrophobicContact CG2-CG2 3.39Å; F350-I418 HydrophobicContact CE2-CD1 3.89Å; F350-I418 HydrophobicContact CZ-CD1 3.67Å; F350-I418 HydrophobicContact CZ-CG1 3.84Å; F350-I418 HydrophobicContact CZ-CG2 4.45Å; V373-I418 HydrophobicContact CG2-CG2 4.45Å; I413-I418 HydrophobicContact CB-CD1 4.47Å; I413-I418 HydrophobicContact CB-CG1 4.24Å; I413-I418 HydrophobicContact CG2-CD1 4.47Å; I413-I418 HydrophobicContact CG2-CG1 3.73Å; P414-I418 PolarHBondContact O-N 3.36Å; P414-I418 VanDerWaalsContact O-N 3.13Å; Q415-I418 WeakPolarHBondContact O-CB 3.29Å; Q415-I418 PolarHBondContact O-N 2.86Å; R416-I418 VanDerWaalsContact C-N 3.33Å; I418-E420 VanDerWaalsContact C-N 3.31Å; I418-E420 PolarHBondContact O-N 3.26Å; I418-M421 WeakPolarHBondContact O-CB 3.47Å; I418-M421 PolarHBondContact O-N 2.91Å; I418-Q422 HydrophobicContact CG2-CG 4.46Å; I418-Q422 WeakPolarHBondContact O-CG 3.29Å; I418-Q422 PolarHBondContact O-N 3.32Å
419	E	88.3	Confident	90.7	Very high	55 Å²	55	53.2 Å²	53.2	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-66.5	-31.5	178.6	-73.2	169.8	-163.5	0	0	113.4	P280 Q415 R416 Q417 R423	P280-E419 HydrophobicContact CB-CB 3.98Å; P280-E419 HydrophobicContact CB-CG 4.18Å; P280-E419 WeakPolarHBondContact CB-O 3.49Å; Q415-E419 PolarHBondContact NE2-OE1 3Å; Q415-E419 WeakPolarHBondContact O-CG 3.47Å; Q415-E419 PolarHBondContact O-N 2.72Å; R416-E419 PolarHBondContact O-N 2.71Å; Q417-E419 PolarHBondContact O-N 3.43Å; E419-R423 WeakPolarHBondContact O-CG 3.41Å; E419-R423 PolarHBondContact O-N 2.91Å; E419-R423 PolarHBondContact O-NE 3.49Å
420	E	85.3	Confident	90.7	Very high	78 Å²	78	54.4 Å²	54.4	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-70.9	-41.7	171.7	-70.7	168.6	-173.6	0	0	110.4	R416 Q417 I418 R423 Q424	R416-E420 WeakPolarHBondContact CG-OE1 3.27Å; R416-E420 IonicContact CZ-OE1 3.28Å; R416-E420 IonicContact NE-OE1 3.41Å; R416-E420 PolarHBondContact NE-OE1 2.75Å; R416-E420 IonicContact NH2-OE1 2.94Å; R416-E420 WeakPolarHBondContact O-CG 3.38Å; R416-E420 PolarHBondContact O-N 2.9Å; Q417-E420 PolarHBondContact O-N 3.17Å; I418-E420 VanDerWaalsContact C-N 3.31Å; I418-E420 PolarHBondContact O-N 3.26Å; E420-R423 PolarHBondContact O-N 3.39Å; E420-Q424 WeakPolarHBondContact O-CB 3.3Å; E420-Q424 PolarHBondContact O-N 2.94Å
421	M	92.4	Very high	90.5	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-42.7	174.2	-72.7	175.6	168.7	0	0	113.4	V373 K392 R393 V396 Q417 I418 R423 Q424 A425	V373-M421 HydrophobicContact CG1-CB 4.12Å; V373-M421 HydrophobicContact CG1-SD 4Å; V373-M421 HydrophobicContact CG2-CB 3.74Å; K392-M421 WeakPolarHBondContact O-CE 3.3Å; R393-M421 WeakPolarHBondContact O-CA 3.27Å; R393-M421 WeakPolarHBondContact O-CG 3.18Å; V396-M421 HydrophobicContact CG2-CE 4.42Å; V396-M421 HydrophobicContact CG2-SD 4.32Å; Q417-M421 HydrophobicContact CG-CE 4.14Å; Q417-M421 WeakPolarHBondContact O-CB 3.41Å; Q417-M421 VanDerWaalsContact O-CG 3.3Å; Q417-M421 WeakPolarHBondContact O-CG 3.16Å; Q417-M421 PolarHBondContact O-N 3.27Å; I418-M421 WeakPolarHBondContact O-CB 3.47Å; I418-M421 PolarHBondContact O-N 2.91Å; M421-R423 VanDerWaalsContact C-N 3.33Å; M421-R423 PolarHBondContact O-N 3.18Å; M421-Q424 PolarHBondContact O-N 2.96Å; M421-A425 VanDerWaalsContact O-CB 3.28Å; M421-A425 WeakPolarHBondContact O-CB 3.36Å; M421-A425 PolarHBondContact O-N 3.33Å
422	Q	95.2	Very high	90.6	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-41	176.5	-72.4	175	-24.6	0	0	111.9	P280 G281 G371 V373 I418 R426	P280-Q422 VanDerWaalsContact CA-OE1 3.26Å; P280-Q422 HydrophobicContact CB-CB 4.26Å; G281-Q422 PolarHBondContact O-NE2 3.11Å; G281-Q422 VanDerWaalsContact O-NE2 3.13Å; G281-Q422 PolarHBondContact O-OE1 2.91Å; G371-Q422 WeakPolarHBondContact O-CG 3.3Å; V373-Q422 HydrophobicContact CG2-CG 3.67Å; I418-Q422 HydrophobicContact CG2-CG 4.46Å; I418-Q422 WeakPolarHBondContact O-CG 3.29Å; I418-Q422 PolarHBondContact O-N 3.32Å; Q422-R426 PolarHBondContact O-N 2.85Å
423	R	92.3	Very high	90.8	Very high	122 Å²	122	46.5 Å²	46.5	46%	0.46	21%	0.209	S	C	.	.	H	α-helix	trans	-63.1	-45	173.4	-81.3	174.1	-86.5	164.9	-11.2	111.6	P280 E419 E420 M421 W427	P280-R423 HydrophobicContact CB-CG 4.14Å; P280-R423 HydrophobicContact CG-CG 3.86Å; E419-R423 WeakPolarHBondContact O-CG 3.41Å; E419-R423 PolarHBondContact O-N 2.91Å; E419-R423 PolarHBondContact O-NE 3.49Å; E420-R423 PolarHBondContact O-N 3.39Å; M421-R423 VanDerWaalsContact C-N 3.33Å; M421-R423 PolarHBondContact O-N 3.18Å; R423-W427 PolarHBondContact O-N 3.11Å
424	Q	93.3	Very high	91.2	Very high	11 Å²	11	49.7 Å²	49.7	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-42.6	179.4	-166.6	74.1	46.9	0	0	112.3	R393 A394 E420 M421 R426 W427 F428 N463	R393-Q424 HydrophobicContact CB-CG 3.79Å; R393-Q424 WeakPolarHBondContact O-CB 3.46Å; R393-Q424 WeakPolarHBondContact O-CG 3.37Å; A394-Q424 HydrophobicContact CB-CB 4.16Å; A394-Q424 HydrophobicContact CB-CG 3.78Å; E420-Q424 WeakPolarHBondContact O-CB 3.3Å; E420-Q424 PolarHBondContact O-N 2.94Å; M421-Q424 PolarHBondContact O-N 2.96Å; Q424-R426 PolarHBondContact O-N 2.88Å; Q424-W427 PolarHBondContact O-N 3.4Å; Q424-F428 HydrophobicContact CG-CD1 4.48Å; Q424-F428 HydrophobicContact CG-CE1 4.2Å; Q424-F428 HydrophobicContact CG-CE2 4.4Å; Q424-F428 HydrophobicContact CG-CZ 4.14Å; Q424-F428 PolarHBondContact O-N 3.45Å; Q424-N463 PolarHBondContact NE2-O 2.94Å; Q424-N463 PolarHBondContact OE1-O 2.72Å
425	A	95.1	Very high	91.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.7	-48.6	177.1	0	0	0	0	0	111.5	L368 M421 F428 W429	L368-A425 HydrophobicContact CD2-CB 3.73Å; M421-A425 VanDerWaalsContact O-CB 3.28Å; M421-A425 WeakPolarHBondContact O-CB 3.36Å; M421-A425 PolarHBondContact O-N 3.33Å; A425-F428 PolarHBondContact O-N 3.14Å; A425-W429 PolarHBondContact O-N 3.38Å
426	R	93.9	Very high	92.2	Very high	58 Å²	58	44.1 Å²	44.1	22%	0.219	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-43.2	176.2	-178.9	61.8	-170.8	-150.5	-4.2	112.1	Q369 Q422 Q424 W429 E430	Q369-R426 WeakPolarHBondContact O-CD 3.36Å; Q369-R426 PolarHBondContact O-NH1 2.91Å; Q422-R426 PolarHBondContact O-N 2.85Å; Q424-R426 PolarHBondContact O-N 2.88Å; R426-W429 WeakPolarHBondContact O-CB 3.36Å; R426-W429 PolarHBondContact O-N 3.41Å; R426-E430 IonicContact CZ-OE1 2.7Å; R426-E430 VanDerWaalsContact CZ-OE1 3.28Å; R426-E430 IonicContact NE-OE1 3.85Å; R426-E430 PolarHBondContact NE-OE1 3.16Å; R426-E430 IonicContact NH2-OE1 3.33Å; R426-E430 PolarHBondContact NH2-OE1 2.91Å; R426-E430 WeakPolarHBondContact O-CG 3.03Å; R426-E430 PolarHBondContact O-N 3.12Å; R426-E430 VanDerWaalsContact O-N 3.08Å
427	W	93.3	Very high	93.1	Very high	46 Å²	46	40.7 Å²	40.7	17%	0.174	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-45.7	176.8	169.6	-129.2	0	0	0	112.5	R423 Q424 W429 E430 A431 P465 P466	R423-W427 PolarHBondContact O-N 3.11Å; Q424-W427 PolarHBondContact O-N 3.4Å; W427-W429 PolarHBondContact O-N 2.86Å; W427-E430 HydrophobicContact CE3-CB 4.24Å; W427-E430 HydrophobicContact CZ3-CB 4.49Å; W427-E430 PolarHBondContact O-N 3.03Å; W427-A431 HydrophobicContact CD2-CB 4Å; W427-A431 HydrophobicContact CE3-CB 3.89Å; W427-A431 HydrophobicContact CH2-CB 3.43Å; W427-A431 VanDerWaalsContact CH2-CB 3.43Å; W427-A431 HydrophobicContact CZ2-CB 3.56Å; W427-A431 HydrophobicContact CZ3-CB 3.61Å; W427-A431 VanDerWaalsContact O-CB 3.24Å; W427-A431 WeakPolarHBondContact O-CB 3.36Å; W427-A431 PolarHBondContact O-N 3.13Å; W427-P465 HydrophobicContact CB-CG 4.12Å; W427-P465 HydrophobicContact CD2-CB 4.23Å; W427-P465 HydrophobicContact CG-CB 4.02Å; W427-P465 HydrophobicContact CG-CG 3.79Å; W427-P466 HydrophobicContact CH2-CG 4.16Å; W427-P466 HydrophobicContact CZ2-CG 4.48Å
428	F	96.4	Very high	93.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.2	-36.3	175.7	-79.3	-1.5	0	0	0	112.1	L389 W391 A394 Q424 A425 Y432 F433 N463	L389-F428 HydrophobicContact CB-CE1 4.39Å; L389-F428 HydrophobicContact CB-CE2 4.05Å; L389-F428 HydrophobicContact CB-CZ 3.86Å; L389-F428 HydrophobicContact CD1-CD1 4.45Å; L389-F428 HydrophobicContact CD1-CD2 4.36Å; L389-F428 HydrophobicContact CD1-CE2 4.46Å; L389-F428 HydrophobicContact CD1-CG 4.36Å; L389-F428 HydrophobicContact CD2-CD1 4.42Å; L389-F428 HydrophobicContact CD2-CE1 3.99Å; L389-F428 HydrophobicContact CD2-CZ 4.33Å; L389-F428 HydrophobicContact CG-CZ 4.46Å; W391-F428 HydrophobicContact CH2-CD2 4.49Å; W391-F428 HydrophobicContact CZ3-CD2 4.45Å; A394-F428 HydrophobicContact CB-CD2 3.54Å; A394-F428 HydrophobicContact CB-CE2 3.48Å; A394-F428 VanDerWaalsContact CB-CE2 3.48Å; A394-F428 HydrophobicContact CB-CG 4.49Å; A394-F428 HydrophobicContact CB-CZ 4.42Å; Q424-F428 HydrophobicContact CG-CD1 4.48Å; Q424-F428 HydrophobicContact CG-CE1 4.2Å; Q424-F428 HydrophobicContact CG-CE2 4.4Å; Q424-F428 HydrophobicContact CG-CZ 4.14Å; Q424-F428 PolarHBondContact O-N 3.45Å; A425-F428 PolarHBondContact O-N 3.14Å; F428-Y432 HydrophobicContact CD1-CD2 4.39Å; F428-Y432 HydrophobicContact CD1-CE2 4.24Å; F428-Y432 PolarHBondContact O-N 2.99Å; F428-Y432 VanDerWaalsContact O-N 3.12Å; F428-F433 WeakPolarHBondContact O-CD2 3.47Å; F428-N463 WeakPolarHBondContact CZ-OD1 3.23Å
429	W	95.8	Very high	94.3	Very high	10 Å²	10	37 Å²	37	4%	0.038	17%	0.171	C	C	.	.	I	π-helix	trans	-64	-55.8	173.9	-178	78.9	0	0	0	112.3	S270 L368 Q369 A425 R426 W427 A431 Y432 F433 Q434	S270-W429 WeakPolarHBondContact O-CZ2 3.38Å; L368-W429 HydrophobicContact CB-CB 3.84Å; Q369-W429 HydrophobicContact CB-CD2 3.85Å; Q369-W429 HydrophobicContact CB-CE3 4.45Å; Q369-W429 HydrophobicContact CB-CG 3.98Å; Q369-W429 HydrophobicContact CB-CZ2 4.28Å; Q369-W429 HydrophobicContact CG-CD2 3.83Å; Q369-W429 HydrophobicContact CG-CE3 4.05Å; Q369-W429 HydrophobicContact CG-CG 4.49Å; Q369-W429 HydrophobicContact CG-CH2 3.87Å; Q369-W429 HydrophobicContact CG-CZ2 3.63Å; Q369-W429 HydrophobicContact CG-CZ3 4.08Å; A425-W429 PolarHBondContact O-N 3.38Å; R426-W429 WeakPolarHBondContact O-CB 3.36Å; R426-W429 PolarHBondContact O-N 3.41Å; W427-W429 PolarHBondContact O-N 2.86Å; W429-A431 VanDerWaalsContact C-N 3.29Å; W429-A431 PolarHBondContact O-N 3.04Å; W429-Y432 PolarHBondContact O-N 3.48Å; W429-F433 HydrophobicContact CG-CB 4.43Å; W429-F433 PolarHBondContact O-N 2.83Å; W429-Q434 HydrophobicContact CD2-CB 4.33Å; W429-Q434 HydrophobicContact CH2-CB 4.24Å; W429-Q434 HydrophobicContact CH2-CG 3.66Å; W429-Q434 HydrophobicContact CZ2-CB 4.03Å; W429-Q434 HydrophobicContact CZ2-CG 3.77Å; W429-Q434 HydrophobicContact CZ3-CB 4.46Å; W429-Q434 HydrophobicContact CZ3-CG 4.13Å; W429-Q434 WeakPolarHBondContact O-CB 3.47Å; W429-Q434 PolarHBondContact O-N 2.94Å
430	E	93.7	Very high	94.8	Very high	78 Å²	78	34.4 Å²	34.4	36%	0.364	16%	0.159	S	C	.	.	I	π-helix	trans	-58.6	-40	-178	-66.8	175.3	165.6	0	0	112.4	R426 W427	R426-E430 IonicContact CZ-OE1 2.7Å; R426-E430 VanDerWaalsContact CZ-OE1 3.28Å; R426-E430 IonicContact NE-OE1 3.85Å; R426-E430 PolarHBondContact NE-OE1 3.16Å; R426-E430 IonicContact NH2-OE1 3.33Å; R426-E430 PolarHBondContact NH2-OE1 2.91Å; R426-E430 WeakPolarHBondContact O-CG 3.03Å; R426-E430 PolarHBondContact O-N 3.12Å; R426-E430 VanDerWaalsContact O-N 3.08Å; W427-E430 HydrophobicContact CE3-CB 4.24Å; W427-E430 HydrophobicContact CZ3-CB 4.49Å; W427-E430 PolarHBondContact O-N 3.03Å
431	A	94.2	Very high	95.4	Very high	21 Å²	21	33.1 Å²	33.1	17%	0.174	16%	0.155	C	C	.	.	I	π-helix	trans	-74.3	-45.1	-177.6	0	0	0	0	0	113.7	W427 W429	W427-A431 HydrophobicContact CD2-CB 4Å; W427-A431 HydrophobicContact CE3-CB 3.89Å; W427-A431 HydrophobicContact CH2-CB 3.43Å; W427-A431 VanDerWaalsContact CH2-CB 3.43Å; W427-A431 HydrophobicContact CZ2-CB 3.56Å; W427-A431 HydrophobicContact CZ3-CB 3.61Å; W427-A431 VanDerWaalsContact O-CB 3.24Å; W427-A431 WeakPolarHBondContact O-CB 3.36Å; W427-A431 PolarHBondContact O-N 3.13Å; W429-A431 VanDerWaalsContact C-N 3.29Å; W429-A431 PolarHBondContact O-N 3.04Å
432	Y	96.3	Very high	95.7	Very high	24 Å²	24	33 Å²	33	9%	0.094	16%	0.155	C	C	.	.	I	π-helix	trans	-131.3	-16.4	-159.2	-47.7	-57.3	0	0	0	115.1	L389 F428 W429 I439 A442 W462	L389-Y432 HydrophobicContact CD1-CD2 3.72Å; L389-Y432 HydrophobicContact CD1-CE2 4.28Å; L389-Y432 HydrophobicContact CD1-CG 4.43Å; L389-Y432 HydrophobicContact CD2-CD2 3.7Å; L389-Y432 HydrophobicContact CD2-CE2 3.39Å; L389-Y432 HydrophobicContact CG-CD2 4.36Å; L389-Y432 HydrophobicContact CG-CE2 4.48Å; F428-Y432 HydrophobicContact CD1-CD2 4.39Å; F428-Y432 HydrophobicContact CD1-CE2 4.24Å; F428-Y432 PolarHBondContact O-N 2.99Å; F428-Y432 VanDerWaalsContact O-N 3.12Å; W429-Y432 PolarHBondContact O-N 3.48Å; Y432-I439 WeakPolarHBondContact O-CG1 3.22Å; Y432-A442 HydrophobicContact CD1-CB 4.27Å; Y432-W462 HydrophobicContact CD1-CE3 4.4Å; Y432-W462 AromaticContact CD1-CZ3 3.99Å; Y432-W462 HydrophobicContact CD1-CZ3 3.99Å; Y432-W462 AromaticContact CE1-CE3 3.62Å; Y432-W462 HydrophobicContact CE1-CE3 3.62Å; Y432-W462 AromaticContact CE1-CZ3 3.52Å; Y432-W462 HydrophobicContact CE1-CZ3 3.52Å; Y432-W462 HydrophobicContact CE2-CE3 4.37Å; Y432-W462 AromaticContact CZ-CE3 3.61Å; Y432-W462 WeakPolarHBondContact OH-CA 3.01Å; Y432-W462 PolarHBondContact OH-O 3.17Å
433	F	96.1	Very high	95.8	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	15%	0.154	C	C	.	.	I	π-helix	trans	-115.3	-24.4	-175.3	-67.7	-130.2	0	0	0	113.6	P264 L364 L368 P384 F385 L389 W391 F428 W429 S435	P264-F433 HydrophobicContact CB-CD1 3.43Å; P264-F433 VanDerWaalsContact CB-CD1 3.43Å; P264-F433 HydrophobicContact CB-CE1 3.34Å; P264-F433 HydrophobicContact CB-CG 4.11Å; P264-F433 HydrophobicContact CB-CZ 3.91Å; P264-F433 HydrophobicContact CG-CD1 3.87Å; P264-F433 HydrophobicContact CG-CD2 4.36Å; P264-F433 HydrophobicContact CG-CE1 4.06Å; P264-F433 HydrophobicContact CG-CE2 4.49Å; P264-F433 HydrophobicContact CG-CG 4.02Å; P264-F433 HydrophobicContact CG-CZ 4.33Å; L364-F433 HydrophobicContact CD2-CE1 4.37Å; L364-F433 HydrophobicContact CG-CE1 4.33Å; L368-F433 HydrophobicContact CD1-CD1 3.82Å; L368-F433 HydrophobicContact CD1-CD2 4.46Å; L368-F433 HydrophobicContact CD1-CE1 3.5Å; L368-F433 VanDerWaalsContact CD1-CE1 3.5Å; L368-F433 HydrophobicContact CD1-CE2 4.23Å; L368-F433 HydrophobicContact CD1-CG 4.31Å; L368-F433 HydrophobicContact CD1-CZ 3.76Å; P384-F433 HydrophobicContact CB-CE1 4.32Å; P384-F433 HydrophobicContact CB-CE2 4.43Å; P384-F433 HydrophobicContact CB-CZ 3.7Å; P384-F433 HydrophobicContact CG-CE1 4.13Å; P384-F433 HydrophobicContact CG-CZ 3.92Å; F385-F433 HydrophobicContact CD2-CE2 4.49Å; L389-F433 HydrophobicContact CD1-CE2 4.46Å; W391-F433 HydrophobicContact CH2-CE1 4.37Å; W391-F433 HydrophobicContact CH2-CE2 4.31Å; W391-F433 AromaticContact CH2-CZ 3.6Å; W391-F433 HydrophobicContact CH2-CZ 3.6Å; W391-F433 HydrophobicContact CZ2-CE2 4.32Å; W391-F433 AromaticContact CZ2-CZ 3.75Å; W391-F433 HydrophobicContact CZ2-CZ 3.75Å; F428-F433 WeakPolarHBondContact O-CD2 3.47Å; W429-F433 HydrophobicContact CG-CB 4.43Å; W429-F433 PolarHBondContact O-N 2.83Å; F433-S435 PolarHBondContact O-N 2.84Å
434	Q	94.3	Very high	96.1	Very high	92 Å²	92	27 Å²	27	43%	0.43	13%	0.132	S	C	.	.	S	Bend	trans	-52.6	-30.3	-170.2	179.6	178.1	42	0	0	114.2	W429	W429-Q434 HydrophobicContact CD2-CB 4.33Å; W429-Q434 HydrophobicContact CH2-CB 4.24Å; W429-Q434 HydrophobicContact CH2-CG 3.66Å; W429-Q434 HydrophobicContact CZ2-CB 4.03Å; W429-Q434 HydrophobicContact CZ2-CG 3.77Å; W429-Q434 HydrophobicContact CZ3-CB 4.46Å; W429-Q434 HydrophobicContact CZ3-CG 4.13Å; W429-Q434 WeakPolarHBondContact O-CB 3.47Å; W429-Q434 PolarHBondContact O-N 2.94Å
435	S	95.9	Very high	96.3	Very high	39 Å²	39	28.2 Å²	28.2	27%	0.273	14%	0.138	S	C	.	.	S	Bend	trans	-148.3	158.3	-178.9	63.7	0	0	0	0	112.4	F433 K437 A438 I439	F433-S435 PolarHBondContact O-N 2.84Å; S435-K437 PolarHBondContact O-N 2.82Å; S435-A438 WeakPolarHBondContact O-CB 3.4Å; S435-A438 PolarHBondContact O-N 3.17Å; S435-A438 VanDerWaalsContact O-N 3.08Å; S435-A438 PolarHBondContact OG-N 2.75Å; S435-A438 VanDerWaalsContact OG-N 3.14Å; S435-I439 WeakPolarHBondContact O-CG1 3.49Å; S435-I439 PolarHBondContact O-N 2.74Å; S435-I439 VanDerWaalsContact O-N 3.13Å
436	I	96.4	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-51.9	-37.1	167.7	-62.8	-63.1	0	0	0	111.7	E162 E165 L166 M224 Y266 I439 A440	E162-I436 HydrophobicContact CB-CD1 4.13Å; E162-I436 HydrophobicContact CB-CG1 4.22Å; E162-I436 HydrophobicContact CG-CD1 4.49Å; E162-I436 WeakPolarHBondContact O-CG2 3.49Å; E165-I436 HydrophobicContact CB-CB 4.28Å; E165-I436 HydrophobicContact CB-CG2 4.24Å; L166-I436 HydrophobicContact CB-CG2 3.54Å; L166-I436 HydrophobicContact CD1-CG2 4.33Å; L166-I436 HydrophobicContact CG-CG2 4.24Å; M224-I436 HydrophobicContact CE-CD1 3.75Å; M224-I436 HydrophobicContact SD-CD1 4.22Å; Y266-I436 HydrophobicContact CD1-CD1 3.53Å; Y266-I436 HydrophobicContact CD1-CG1 3.97Å; Y266-I436 HydrophobicContact CD2-CD1 4.02Å; Y266-I436 HydrophobicContact CD2-CG1 4.34Å; Y266-I436 HydrophobicContact CE1-CD1 4.06Å; Y266-I436 HydrophobicContact CE1-CG1 3.95Å; Y266-I436 HydrophobicContact CE2-CG1 4.36Å; Y266-I436 HydrophobicContact CG-CD1 3.48Å; Y266-I436 VanDerWaalsContact CG-CD1 3.48Å; Y266-I436 HydrophobicContact CG-CG1 4.14Å; I436-I439 PolarHBondContact O-N 2.86Å; I436-A440 WeakPolarHBondContact O-CB 3.28Å; I436-A440 PolarHBondContact O-N 3.26Å
437	K	96.8	Very high	96.7	Very high	111 Å²	111	25.6 Å²	25.6	48%	0.483	13%	0.128	S	C	.	.	H	α-helix	trans	-61.3	-46.5	176.3	176.3	169.3	-177.9	170.8	0	112.2	A169 S435 I439 A440 L441	A169-K437 HydrophobicContact CB-CB 3.78Å; A169-K437 HydrophobicContact CB-CD 4.49Å; A169-K437 HydrophobicContact CB-CG 3.82Å; S435-K437 PolarHBondContact O-N 2.82Å; K437-I439 VanDerWaalsContact C-N 3.34Å; K437-I439 PolarHBondContact O-N 3.11Å; K437-A440 PolarHBondContact O-N 3.1Å; K437-L441 HydrophobicContact CG-CD1 3.86Å; K437-L441 HydrophobicContact CG-CG 4.42Å; K437-L441 WeakPolarHBondContact O-CB 3.43Å; K437-L441 VanDerWaalsContact O-CG 3.28Å; K437-L441 WeakPolarHBondContact O-CG 3.45Å; K437-L441 PolarHBondContact O-N 3.37Å
438	A	97.2	Very high	96.8	Very high	17 Å²	17	23.6 Å²	23.6	14%	0.14	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-46.2	176.8	0	0	0	0	0	111.1	S435 A440 L441 A442	S435-A438 WeakPolarHBondContact O-CB 3.4Å; S435-A438 PolarHBondContact O-N 3.17Å; S435-A438 VanDerWaalsContact O-N 3.08Å; S435-A438 PolarHBondContact OG-N 2.75Å; S435-A438 VanDerWaalsContact OG-N 3.14Å; A438-A440 PolarHBondContact O-N 3.49Å; A438-L441 PolarHBondContact O-N 3.28Å; A438-A442 VanDerWaalsContact O-CB 3.29Å; A438-A442 WeakPolarHBondContact O-CB 3.38Å; A438-A442 PolarHBondContact O-N 2.77Å
439	I	98.3	Very high	96.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-60.7	-47	179.1	-63.2	165.3	0	0	0	111.5	M224 I263 P264 Y266 F385 Y432 S435 I436 K437 T443	M224-I439 HydrophobicContact CE-CD1 3.91Å; M224-I439 HydrophobicContact CE-CG2 3.96Å; I263-I439 HydrophobicContact CB-CG2 4.11Å; I263-I439 HydrophobicContact CD1-CG2 4.43Å; I263-I439 HydrophobicContact CG2-CG2 4.46Å; P264-I439 HydrophobicContact CG-CD1 3.72Å; P264-I439 HydrophobicContact CG-CG1 3.65Å; P264-I439 HydrophobicContact CG-CG2 4.43Å; Y266-I439 HydrophobicContact CD2-CD1 4.19Å; F385-I439 HydrophobicContact CZ-CG2 4.2Å; Y432-I439 WeakPolarHBondContact O-CG1 3.22Å; S435-I439 WeakPolarHBondContact O-CG1 3.49Å; S435-I439 PolarHBondContact O-N 2.74Å; S435-I439 VanDerWaalsContact O-N 3.13Å; I436-I439 PolarHBondContact O-N 2.86Å; K437-I439 VanDerWaalsContact C-N 3.34Å; K437-I439 PolarHBondContact O-N 3.11Å; I439-T443 WeakPolarHBondContact O-CB 3.44Å; I439-T443 PolarHBondContact O-N 2.86Å; I439-T443 PolarHBondContact O-OG1 2.74Å
440	A	98.3	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-44.8	-179.3	0	0	0	0	0	112	L166 A169 I170 I436 K437 A438 T443 L444	L166-A440 HydrophobicContact CG-CB 4.16Å; A169-A440 HydrophobicContact CB-CB 4.4Å; I170-A440 HydrophobicContact CG1-CB 4.43Å; I436-A440 WeakPolarHBondContact O-CB 3.28Å; I436-A440 PolarHBondContact O-N 3.26Å; K437-A440 PolarHBondContact O-N 3.1Å; A438-A440 PolarHBondContact O-N 3.49Å; A440-T443 WeakPolarHBondContact O-CB 3.46Å; A440-T443 PolarHBondContact O-N 3.21Å; A440-L444 WeakPolarHBondContact O-CG 3.44Å; A440-L444 PolarHBondContact O-N 2.71Å
441	L	98.3	Very high	96.2	Very high	51 Å²	51	23.3 Å²	23.3	27%	0.267	12%	0.119	S	C	.	.	H	α-helix	trans	-69.5	-40.2	179.8	-65.9	177.6	0	0	0	112.2	Y175 K437 A438 T443 L444 Q445	Y175-L441 HydrophobicContact CD2-CD2 4.35Å; K437-L441 HydrophobicContact CG-CD1 3.86Å; K437-L441 HydrophobicContact CG-CG 4.42Å; K437-L441 WeakPolarHBondContact O-CB 3.43Å; K437-L441 VanDerWaalsContact O-CG 3.28Å; K437-L441 WeakPolarHBondContact O-CG 3.45Å; K437-L441 PolarHBondContact O-N 3.37Å; A438-L441 PolarHBondContact O-N 3.28Å; L441-T443 VanDerWaalsContact C-N 3.34Å; L441-T443 PolarHBondContact O-N 3.23Å; L441-L444 PolarHBondContact O-N 2.77Å; L441-Q445 WeakPolarHBondContact O-CB 3.45Å; L441-Q445 PolarHBondContact O-N 2.95Å
442	A	98.3	Very high	95.9	Very high	7 Å²	7	22.9 Å²	22.9	6%	0.058	11%	0.113	C	C	.	.	H	α-helix	trans	-60.9	-42.7	173.2	0	0	0	0	0	111.6	F385 Y432 A438 L444 Q445 I446 W462	F385-A442 HydrophobicContact CE1-CB 4.05Å; F385-A442 HydrophobicContact CE2-CB 4.12Å; F385-A442 HydrophobicContact CZ-CB 3.75Å; Y432-A442 HydrophobicContact CD1-CB 4.27Å; A438-A442 VanDerWaalsContact O-CB 3.29Å; A438-A442 WeakPolarHBondContact O-CB 3.38Å; A438-A442 PolarHBondContact O-N 2.77Å; A442-L444 PolarHBondContact O-N 3.47Å; A442-Q445 PolarHBondContact O-N 2.91Å; A442-I446 WeakPolarHBondContact O-CG1 3.25Å; A442-I446 PolarHBondContact O-N 3.14Å; A442-W462 HydrophobicContact CB-CH2 4.38Å; A442-W462 HydrophobicContact CB-CZ3 4.31Å
443	T	98.7	Very high	95	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-46	175.2	-56	0	0	0	0	112	L220 F222 A246 V261 I263 I439 A440 L441 I447	L220-T443 HydrophobicContact CD2-CG2 4.35Å; F222-T443 HydrophobicContact CE1-CG2 3.72Å; F222-T443 HydrophobicContact CZ-CG2 3.99Å; A246-T443 HydrophobicContact CB-CG2 3.79Å; V261-T443 HydrophobicContact CB-CG2 4.15Å; V261-T443 HydrophobicContact CG1-CG2 4.14Å; V261-T443 HydrophobicContact CG2-CG2 4.21Å; I263-T443 WeakPolarHBondContact CG2-OG1 3.42Å; I439-T443 WeakPolarHBondContact O-CB 3.44Å; I439-T443 PolarHBondContact O-N 2.86Å; I439-T443 PolarHBondContact O-OG1 2.74Å; A440-T443 WeakPolarHBondContact O-CB 3.46Å; A440-T443 PolarHBondContact O-N 3.21Å; L441-T443 VanDerWaalsContact C-N 3.34Å; L441-T443 PolarHBondContact O-N 3.23Å; T443-I447 HydrophobicContact CG2-CD1 4.28Å; T443-I447 WeakPolarHBondContact O-CG1 3.27Å; T443-I447 PolarHBondContact O-N 2.6Å
444	L	98.4	Very high	93.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.7	-36.3	178.5	-70.7	-178.5	0	0	0	112.6	V139 I170 Y175 L185 L220 A440 L441 A442 I447 N448	V139-L444 HydrophobicContact CG2-CD1 4.15Å; V139-L444 HydrophobicContact CG2-CD2 3.83Å; I170-L444 HydrophobicContact CD1-CD1 4.42Å; I170-L444 HydrophobicContact CG1-CD1 3.97Å; I170-L444 HydrophobicContact CG2-CD1 4.16Å; Y175-L444 HydrophobicContact CD2-CB 3.93Å; Y175-L444 HydrophobicContact CD2-CD1 3.81Å; Y175-L444 HydrophobicContact CE2-CB 3.9Å; Y175-L444 HydrophobicContact CG-CB 4.26Å; Y175-L444 HydrophobicContact CG-CD1 3.98Å; L185-L444 HydrophobicContact CD1-CD2 3.96Å; L220-L444 HydrophobicContact CD2-CD2 4.02Å; A440-L444 WeakPolarHBondContact O-CG 3.44Å; A440-L444 PolarHBondContact O-N 2.71Å; L441-L444 PolarHBondContact O-N 2.77Å; A442-L444 PolarHBondContact O-N 3.47Å; L444-I447 PolarHBondContact O-N 3.04Å; L444-N448 VanDerWaalsContact O-CB 3.29Å; L444-N448 WeakPolarHBondContact O-CB 3.37Å; L444-N448 PolarHBondContact O-N 2.91Å
445	Q	97.7	Very high	92.8	Very high	37 Å²	37	28.2 Å²	28.2	17%	0.173	15%	0.148	C	C	.	.	H	α-helix	trans	-65.1	-44.4	175.5	-174.4	67.6	63.4	0	0	111.6	Y175 L441 A442 I447 N448 D449 I457 W462	Y175-Q445 WeakPolarHBondContact OH-CA 3.04Å; Y175-Q445 PolarHBondContact OH-OE1 2.94Å; L441-Q445 WeakPolarHBondContact O-CB 3.45Å; L441-Q445 PolarHBondContact O-N 2.95Å; A442-Q445 PolarHBondContact O-N 2.91Å; Q445-I447 VanDerWaalsContact C-N 3.33Å; Q445-I447 PolarHBondContact O-N 3.05Å; Q445-N448 WeakPolarHBondContact O-CA 3.38Å; Q445-N448 VanDerWaalsContact O-CB 3.29Å; Q445-N448 WeakPolarHBondContact O-CB 3.41Å; Q445-N448 PolarHBondContact O-N 2.89Å; Q445-N448 VanDerWaalsContact O-N 3.11Å; Q445-D449 PolarHBondContact NE2-OD1 2.79Å; Q445-D449 WeakPolarHBondContact O-CB 3.48Å; Q445-D449 PolarHBondContact O-N 2.94Å; Q445-I457 HydrophobicContact CG-CD1 3.51Å; Q445-I457 HydrophobicContact CG-CG1 4.13Å; Q445-W462 HydrophobicContact CB-CH2 4.11Å; Q445-W462 HydrophobicContact CB-CZ2 4.22Å; Q445-W462 HydrophobicContact CG-CH2 4.02Å; Q445-W462 HydrophobicContact CG-CZ2 3.72Å
446	I	98	Very high	92.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-56.6	-46.9	173.9	-75	166.4	0	0	0	111.2	V261 F385 E387 V388 A442 N448 D449 R450 W462	V261-I446 HydrophobicContact CG1-CD1 4.04Å; V261-I446 HydrophobicContact CG1-CG2 4.29Å; V261-I446 HydrophobicContact CG2-CG2 4.01Å; F385-I446 HydrophobicContact CB-CD1 4.14Å; F385-I446 HydrophobicContact CD1-CD1 3.4Å; F385-I446 VanDerWaalsContact CD1-CD1 3.4Å; F385-I446 HydrophobicContact CE1-CD1 4.12Å; F385-I446 HydrophobicContact CG-CD1 4.1Å; E387-I446 HydrophobicContact CG-CD1 4.48Å; E387-I446 HydrophobicContact CG-CG2 4.2Å; E387-I446 WeakPolarHBondContact OE1-CG2 3.47Å; E387-I446 WeakPolarHBondContact OE2-CG2 3.49Å; V388-I446 HydrophobicContact CG1-CG1 4.26Å; V388-I446 HydrophobicContact CG2-CD1 3.69Å; V388-I446 HydrophobicContact CG2-CG1 3.88Å; A442-I446 WeakPolarHBondContact O-CG1 3.25Å; A442-I446 PolarHBondContact O-N 3.14Å; I446-N448 VanDerWaalsContact C-N 3.32Å; I446-N448 PolarHBondContact O-N 2.92Å; I446-D449 PolarHBondContact O-N 2.94Å; I446-R450 WeakPolarHBondContact O-CG 3.36Å; I446-R450 PolarHBondContact O-N 3.4Å; I446-W462 HydrophobicContact CD1-CH2 4.49Å; I446-W462 HydrophobicContact CG1-CH2 3.97Å; I446-W462 HydrophobicContact CG1-CZ2 3.97Å
447	I	97.7	Very high	91.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-37	177.7	-61	165.1	0	0	0	110.6	I137 L185 L220 L244 V261 T443 L444 Q445 D449 R450 I451	I137-I447 HydrophobicContact CD1-CB 4.36Å; I137-I447 HydrophobicContact CD1-CG2 4.12Å; L185-I447 HydrophobicContact CD1-CD1 4.25Å; L185-I447 HydrophobicContact CD1-CG2 3.98Å; L185-I447 HydrophobicContact CD2-CG2 4.38Å; L220-I447 HydrophobicContact CD1-CD1 3.95Å; L220-I447 HydrophobicContact CD2-CD1 3.76Å; L220-I447 HydrophobicContact CG-CD1 4.47Å; L244-I447 HydrophobicContact CD2-CD1 4.38Å; V261-I447 HydrophobicContact CG2-CD1 4.18Å; V261-I447 HydrophobicContact CG2-CG1 3.91Å; T443-I447 HydrophobicContact CG2-CD1 4.28Å; T443-I447 WeakPolarHBondContact O-CG1 3.27Å; T443-I447 PolarHBondContact O-N 2.6Å; L444-I447 PolarHBondContact O-N 3.04Å; Q445-I447 VanDerWaalsContact C-N 3.33Å; Q445-I447 PolarHBondContact O-N 3.05Å; I447-D449 PolarHBondContact O-N 3.45Å; I447-R450 PolarHBondContact O-N 2.87Å; I447-I451 WeakPolarHBondContact O-CG1 3.28Å; I447-I451 PolarHBondContact O-N 3.29Å
448	N	95.7	Very high	90.6	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-45.4	175.2	-170.8	82.7	0	0	0	112.4	N135 K136 I137 Y175 L444 Q445 I446 R450 I451 Y452	N135-N448 PolarHBondContact O-ND2 3.15Å; N135-N448 VanDerWaalsContact O-ND2 3.16Å; N135-N448 PolarHBondContact O-OD1 2.93Å; K136-N448 VanDerWaalsContact CA-OD1 3.24Å; K136-N448 WeakPolarHBondContact CA-OD1 3.45Å; I137-N448 HydrophobicContact CD1-CB 4.25Å; I137-N448 HydrophobicContact CG1-CB 4.22Å; I137-N448 PolarHBondContact N-OD1 3.11Å; Y175-N448 HydrophobicContact CE1-CB 4.06Å; L444-N448 VanDerWaalsContact O-CB 3.29Å; L444-N448 WeakPolarHBondContact O-CB 3.37Å; L444-N448 PolarHBondContact O-N 2.91Å; Q445-N448 WeakPolarHBondContact O-CA 3.38Å; Q445-N448 VanDerWaalsContact O-CB 3.29Å; Q445-N448 WeakPolarHBondContact O-CB 3.41Å; Q445-N448 PolarHBondContact O-N 2.89Å; Q445-N448 VanDerWaalsContact O-N 3.11Å; I446-N448 VanDerWaalsContact C-N 3.32Å; I446-N448 PolarHBondContact O-N 2.92Å; N448-R450 VanDerWaalsContact C-N 3.29Å; N448-R450 PolarHBondContact O-N 2.91Å; N448-I451 CarbonylContact O-C 3.45Å; N448-I451 PolarHBondContact O-N 2.89Å; N448-Y452 PolarHBondContact O-N 3.35Å
449	D	93	Very high	89.8	Confident	16 Å²	16	30.5 Å²	30.5	9%	0.086	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-34.5	-178.5	-69.9	2.1	0	0	0	111.5	Q445 I446 I447 I451 Y452 P453 A456 I457	Q445-D449 PolarHBondContact NE2-OD1 2.79Å; Q445-D449 WeakPolarHBondContact O-CB 3.48Å; Q445-D449 PolarHBondContact O-N 2.94Å; I446-D449 PolarHBondContact O-N 2.94Å; I447-D449 PolarHBondContact O-N 3.45Å; D449-I451 VanDerWaalsContact C-N 3.31Å; D449-I451 PolarHBondContact O-N 3.18Å; D449-Y452 CarbonylContact O-C 3.46Å; D449-P453 WeakPolarHBondContact O-CA 3.42Å; D449-A456 HydrophobicContact CB-CB 3.61Å; D449-A456 WeakPolarHBondContact OD1-CA 3.35Å; D449-I457 PolarHBondContact OD2-N 2.92Å
450	R	90.8	Very high	88.9	Confident	46 Å²	46	32 Å²	32	17%	0.174	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-28.7	171.3	-63.6	170.2	-172.9	179.6	-3.2	113.3	M120 G258 Y259 D260 E387 I446 I447 N448	M120-R450 HydrophobicContact CE-CB 4.21Å; G258-R450 PolarHBondContact O-NH1 3.44Å; Y259-R450 VanDerWaalsContact C-NH1 3.32Å; Y259-R450 PolarHBondContact O-NH1 3.48Å; D260-R450 PolarHBondContact O-NH1 2.9Å; D260-R450 PolarHBondContact O-NH2 2.76Å; E387-R450 IonicContact OE1-CZ 2.66Å; E387-R450 IonicContact OE1-NH2 2.71Å; E387-R450 PolarHBondContact OE1-NH2 3Å; E387-R450 IonicContact OE2-CZ 3.13Å; E387-R450 VanDerWaalsContact OE2-CZ 3.28Å; E387-R450 IonicContact OE2-NE 3.3Å; E387-R450 PolarHBondContact OE2-NE 3.15Å; E387-R450 IonicContact OE2-NH2 2.79Å; E387-R450 PolarHBondContact OE2-NH2 2.95Å; I446-R450 WeakPolarHBondContact O-CG 3.36Å; I446-R450 PolarHBondContact O-N 3.4Å; I447-R450 PolarHBondContact O-N 2.87Å; N448-R450 VanDerWaalsContact C-N 3.29Å; N448-R450 PolarHBondContact O-N 2.91Å
451	I	90.8	Very high	88.1	Confident	20 Å²	20	36.3 Å²	36.3	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-90.1	-31.9	-179.6	-60	-60.9	0	0	0	112.1	M120 F124 V126 C129 I137 I447 N448 D449 P453	M120-I451 HydrophobicContact SD-CD1 4.23Å; F124-I451 HydrophobicContact CD1-CD1 3.99Å; F124-I451 HydrophobicContact CE1-CD1 3.43Å; F124-I451 VanDerWaalsContact CE1-CD1 3.43Å; F124-I451 HydrophobicContact CE1-CG1 4.39Å; F124-I451 HydrophobicContact CZ-CD1 3.98Å; V126-I451 HydrophobicContact CG2-CD1 4.23Å; V126-I451 HydrophobicContact CG2-CG2 4.49Å; C129-I451 HydrophobicContact CB-CG2 3.85Å; I137-I451 HydrophobicContact CG2-CB 4.03Å; I137-I451 HydrophobicContact CG2-CG1 4.17Å; I137-I451 HydrophobicContact CG2-CG2 4.03Å; I447-I451 WeakPolarHBondContact O-CG1 3.28Å; I447-I451 PolarHBondContact O-N 3.29Å; N448-I451 CarbonylContact O-C 3.45Å; N448-I451 PolarHBondContact O-N 2.89Å; D449-I451 VanDerWaalsContact C-N 3.31Å; D449-I451 PolarHBondContact O-N 3.18Å; I451-P453 VanDerWaalsContact C-CD 3.44Å; I451-P453 WeakPolarHBondContact O-CD 3.35Å
452	Y	86	Confident	87.6	Confident	13 Å²	13	34.3 Å²	34.3	5%	0.051	17%	0.174	C	C	.	.			trans	-123.4	68.8	174.6	-48.7	-64.8	0	0	0	112	C129 N132 N135 I137 N448 D449 Y454 A455 A456	C129-Y452 PolarHBondContact O-OH 3.48Å; N132-Y452 HydrophobicContact CB-CE1 3.79Å; N132-Y452 HydrophobicContact CB-CE2 4.49Å; N132-Y452 WeakPolarHBondContact CB-OH 2.98Å; N135-Y452 HydrophobicContact CB-CD2 4.47Å; N135-Y452 HydrophobicContact CB-CG 4.34Å; N135-Y452 WeakPolarHBondContact O-CD2 3.05Å; I137-Y452 HydrophobicContact CG2-CD2 4.41Å; I137-Y452 HydrophobicContact CG2-CE2 3.58Å; N448-Y452 PolarHBondContact O-N 3.35Å; D449-Y452 CarbonylContact O-C 3.46Å; Y452-Y454 AromaticContact CD1-CE1 3.92Å; Y452-Y454 HydrophobicContact CD1-CE1 3.92Å; Y452-Y454 WeakPolarHBondContact CD1-OH 3.4Å; Y452-Y454 HydrophobicContact CG-CE1 4.31Å; Y452-Y454 PolarHBondContact O-N 3.07Å; Y452-A455 CarbonylContact O-C 3.58Å; Y452-A455 PolarHBondContact O-N 2.7Å; Y452-A456 PolarHBondContact O-N 3.17Å
453	P	77.8	Confident	87.1	Confident	80 Å²	80	34 Å²	34	52%	0.519	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-57.3	-21.8	-177.7	-26.8	35.4	0	0	0	114.9	D449 I451 A455 L481	D449-P453 WeakPolarHBondContact O-CA 3.42Å; I451-P453 VanDerWaalsContact C-CD 3.44Å; I451-P453 WeakPolarHBondContact O-CD 3.35Å; P453-A455 VanDerWaalsContact C-N 3.3Å; P453-L481 WeakPolarHBondContact O-CD1 3.16Å
454	Y	68.3	Low	86.3	Confident	108 Å²	108	34.9 Å²	34.9	42%	0.424	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-77.4	-12.6	177.5	64.7	-90.4	0	0	0	114.2	N135 Y452	N135-Y454 HydrophobicContact CB-CE2 4.34Å; N135-Y454 PolarHBondContact OD1-OH 2.75Å; Y452-Y454 AromaticContact CD1-CE1 3.92Å; Y452-Y454 HydrophobicContact CD1-CE1 3.92Å; Y452-Y454 WeakPolarHBondContact CD1-OH 3.4Å; Y452-Y454 HydrophobicContact CG-CE1 4.31Å; Y452-Y454 PolarHBondContact O-N 3.07Å
455	A	76.1	Confident	85.2	Confident	40 Å²	40	36.1 Å²	36.1	33%	0.331	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-128.8	18.4	179.8	0	0	0	0	0	112.1	N135 Y452 P453	N135-A455 HydrophobicContact CB-CB 3.89Å; Y452-A455 CarbonylContact O-C 3.58Å; Y452-A455 PolarHBondContact O-N 2.7Å; P453-A455 VanDerWaalsContact C-N 3.3Å
456	A	81.1	Confident	83.7	Confident	25 Å²	25	37.2 Å²	37.2	21%	0.207	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-67	152.5	178.3	0	0	0	0	0	111.9	D449 Y452 S458 L481	D449-A456 HydrophobicContact CB-CB 3.61Å; D449-A456 WeakPolarHBondContact OD1-CA 3.35Å; Y452-A456 PolarHBondContact O-N 3.17Å; A456-S458 PolarHBondContact O-N 2.91Å; A456-L481 HydrophobicContact CB-CD1 4.11Å
457	I	83.3	Confident	81.9	Confident	58 Å²	58	41 Å²	41	30%	0.297	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-69.6	130.4	171.9	-64.1	-171.9	0	0	0	108.7	Q445 D449 E461 W462	Q445-I457 HydrophobicContact CG-CD1 3.51Å; Q445-I457 HydrophobicContact CG-CG1 4.13Å; D449-I457 PolarHBondContact OD2-N 2.92Å; I457-E461 HydrophobicContact CG2-CB 3.42Å; I457-E461 VanDerWaalsContact CG2-CB 3.42Å; I457-W462 HydrophobicContact CD1-CZ2 4.44Å; I457-W462 VanDerWaalsContact CG2-CD1 3.49Å; I457-W462 HydrophobicContact CG2-CD2 4.3Å; I457-W462 HydrophobicContact CG2-CG 3.99Å
458	S	79.1	Confident	79.8	Confident	23 Å²	23	44.4 Å²	44.4	16%	0.161	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.7	158	-177.8	64.9	0	0	0	0	112.8	A456 E460 E461 W462	A456-S458 PolarHBondContact O-N 2.91Å; S458-E460 VanDerWaalsContact C-N 3.28Å; S458-E460 PolarHBondContact O-N 3.48Å; S458-E461 WeakPolarHBondContact CB-OE2 3.5Å; S458-E461 PolarHBondContact N-OE2 2.95Å; S458-E461 WeakPolarHBondContact O-CA 3.43Å; S458-E461 WeakPolarHBondContact O-CB 3.49Å; S458-E461 PolarHBondContact O-N 2.92Å; S458-E461 VanDerWaalsContact OG-CG 3.27Å; S458-E461 WeakPolarHBondContact OG-CG 3.41Å; S458-E461 PolarHBondContact OG-N 3.48Å; S458-E461 PolarHBondContact OG-OE2 3Å; S458-W462 PolarHBondContact O-N 3.26Å; S458-W462 VanDerWaalsContact O-N 3.14Å
459	Y	80.4	Confident	77.7	Confident	110 Å²	110	48.3 Å²	48.3	43%	0.431	26%	0.263	S	S	.	.	H	α-helix	trans	-53.1	-45	176.9	171.6	-98	0	0	0	112.7	D390 E461 W462 N463	D390-Y459 HydrophobicContact CB-CE2 3.97Å; D390-Y459 WeakPolarHBondContact CB-OH 3.37Å; D390-Y459 PolarHBondContact OD2-OH 3.02Å; D390-Y459 VanDerWaalsContact OD2-OH 3.05Å; Y459-E461 VanDerWaalsContact C-N 3.26Å; Y459-E461 PolarHBondContact O-N 2.71Å; Y459-W462 PolarHBondContact O-N 2.83Å; Y459-N463 WeakPolarHBondContact CD2-ND2 3.49Å; Y459-N463 WeakPolarHBondContact CE2-ND2 3.44Å; Y459-N463 WeakPolarHBondContact O-CB 3.46Å; Y459-N463 PolarHBondContact O-N 3.49Å; Y459-N463 VanDerWaalsContact O-N 3.17Å; Y459-N463 PolarHBondContact O-ND2 3.42Å
460	E	78.8	Confident	75.5	Confident	31 Å²	31	58.9 Å²	58.9	15%	0.145	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-34.1	176.1	-68.5	76.8	-154.2	0	0	111.6	S458 N463 D464 R595 K674	S458-E460 VanDerWaalsContact C-N 3.28Å; S458-E460 PolarHBondContact O-N 3.48Å; E460-N463 PolarHBondContact O-N 3.31Å; E460-D464 VanDerWaalsContact O-CB 3.27Å; E460-D464 WeakPolarHBondContact O-CB 3.33Å; E460-D464 PolarHBondContact O-N 3.39Å; E460-R595 IonicContact OE1-CZ 2.68Å; E460-R595 IonicContact OE1-NH1 3.7Å; E460-R595 IonicContact OE1-NH2 2.66Å; E460-R595 PolarHBondContact OE1-NH2 3.21Å; E460-R595 IonicContact OE2-NH2 3.79Å; E460-R595 PolarHBondContact OE2-NH2 3Å; E460-K674 HydrophobicContact CG-CG 4.15Å; E460-K674 WeakPolarHBondContact OE2-CE 3.1Å; E460-K674 IonicContact OE2-NZ 3.66Å; E460-K674 PolarHBondContact OE2-NZ 3.48Å
461	E	81.7	Confident	73.5	Confident	92 Å²	92	59.8 Å²	59.8	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-71.7	-35.3	-179	-77.4	170.9	110.2	0	0	114.1	I457 S458 Y459 K469	I457-E461 HydrophobicContact CG2-CB 3.42Å; I457-E461 VanDerWaalsContact CG2-CB 3.42Å; S458-E461 WeakPolarHBondContact CB-OE2 3.5Å; S458-E461 PolarHBondContact N-OE2 2.95Å; S458-E461 WeakPolarHBondContact O-CA 3.43Å; S458-E461 WeakPolarHBondContact O-CB 3.49Å; S458-E461 PolarHBondContact O-N 2.92Å; S458-E461 VanDerWaalsContact OG-CG 3.27Å; S458-E461 WeakPolarHBondContact OG-CG 3.41Å; S458-E461 PolarHBondContact OG-N 3.48Å; S458-E461 PolarHBondContact OG-OE2 3Å; Y459-E461 VanDerWaalsContact C-N 3.26Å; Y459-E461 PolarHBondContact O-N 2.71Å; E461-K469 VanDerWaalsContact CA-NZ 3.31Å; E461-K469 PolarHBondContact O-NZ 2.81Å
462	W	88.3	Confident	71.4	Confident	8 Å²	8	61.8 Å²	61.8	3%	0.03	34%	0.342	C	S	.	.	H	α-helix	trans	-68	-36.4	171.5	-78.7	107.5	0	0	0	112.5	V388 L389 Y432 A442 Q445 I446 I457 S458 Y459	V388-W462 HydrophobicContact CB-CB 4.41Å; V388-W462 HydrophobicContact CB-CD2 3.76Å; V388-W462 HydrophobicContact CB-CE3 4.33Å; V388-W462 HydrophobicContact CB-CG 3.78Å; V388-W462 HydrophobicContact CG1-CD2 4.25Å; V388-W462 HydrophobicContact CG1-CG 4.31Å; V388-W462 HydrophobicContact CG1-CZ2 4.32Å; V388-W462 HydrophobicContact CG2-CD2 3.83Å; V388-W462 HydrophobicContact CG2-CE3 3.91Å; V388-W462 HydrophobicContact CG2-CG 4.34Å; V388-W462 HydrophobicContact CG2-CH2 4.32Å; V388-W462 HydrophobicContact CG2-CZ2 4.24Å; V388-W462 HydrophobicContact CG2-CZ3 4.16Å; L389-W462 HydrophobicContact CD2-CB 4.42Å; L389-W462 HydrophobicContact CD2-CE3 4.15Å; Y432-W462 HydrophobicContact CD1-CE3 4.4Å; Y432-W462 AromaticContact CD1-CZ3 3.99Å; Y432-W462 HydrophobicContact CD1-CZ3 3.99Å; Y432-W462 AromaticContact CE1-CE3 3.62Å; Y432-W462 HydrophobicContact CE1-CE3 3.62Å; Y432-W462 AromaticContact CE1-CZ3 3.52Å; Y432-W462 HydrophobicContact CE1-CZ3 3.52Å; Y432-W462 HydrophobicContact CE2-CE3 4.37Å; Y432-W462 AromaticContact CZ-CE3 3.61Å; Y432-W462 WeakPolarHBondContact OH-CA 3.01Å; Y432-W462 PolarHBondContact OH-O 3.17Å; A442-W462 HydrophobicContact CB-CH2 4.38Å; A442-W462 HydrophobicContact CB-CZ3 4.31Å; Q445-W462 HydrophobicContact CB-CH2 4.11Å; Q445-W462 HydrophobicContact CB-CZ2 4.22Å; Q445-W462 HydrophobicContact CG-CH2 4.02Å; Q445-W462 HydrophobicContact CG-CZ2 3.72Å; I446-W462 HydrophobicContact CD1-CH2 4.49Å; I446-W462 HydrophobicContact CG1-CH2 3.97Å; I446-W462 HydrophobicContact CG1-CZ2 3.97Å; I457-W462 HydrophobicContact CD1-CZ2 4.44Å; I457-W462 VanDerWaalsContact CG2-CD1 3.49Å; I457-W462 HydrophobicContact CG2-CD2 4.3Å; I457-W462 HydrophobicContact CG2-CG 3.99Å; S458-W462 PolarHBondContact O-N 3.26Å; S458-W462 VanDerWaalsContact O-N 3.14Å; Y459-W462 PolarHBondContact O-N 2.83Å
463	N	87.4	Confident	69.9	Low	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-105.9	-21.6	-166.6	-67.8	-78.3	0	0	0	115.5	V388 D390 R393 Q424 F428 Y459 E460	V388-N463 PolarHBondContact O-ND2 3.02Å; D390-N463 PolarHBondContact N-OD1 2.77Å; R393-N463 PolarHBondContact NH2-O 2.93Å; R393-N463 VanDerWaalsContact NH2-O 3.11Å; Q424-N463 PolarHBondContact NE2-O 2.94Å; Q424-N463 PolarHBondContact OE1-O 2.72Å; F428-N463 WeakPolarHBondContact CZ-OD1 3.23Å; Y459-N463 WeakPolarHBondContact CD2-ND2 3.49Å; Y459-N463 WeakPolarHBondContact CE2-ND2 3.44Å; Y459-N463 WeakPolarHBondContact O-CB 3.46Å; Y459-N463 PolarHBondContact O-N 3.49Å; Y459-N463 VanDerWaalsContact O-N 3.17Å; Y459-N463 PolarHBondContact O-ND2 3.42Å; E460-N463 PolarHBondContact O-N 3.31Å
464	D	82.9	Confident	68.7	Low	20 Å²	20	64.7 Å²	64.7	11%	0.107	36%	0.364	C	S	.	.	S	Bend	trans	-96.9	122.9	-179.4	-67.6	-20.4	0	0	0	111.8	R393 E460 K469	R393-D464 IonicContact CZ-OD1 2.75Å; R393-D464 IonicContact NH1-OD1 2.71Å; R393-D464 PolarHBondContact NH1-OD1 2.91Å; R393-D464 IonicContact NH2-OD1 3.47Å; R393-D464 PolarHBondContact NH2-OD1 2.74Å; E460-D464 VanDerWaalsContact O-CB 3.27Å; E460-D464 WeakPolarHBondContact O-CB 3.33Å; E460-D464 PolarHBondContact O-N 3.39Å; D464-K469 VanDerWaalsContact O-CE 3.25Å; D464-K469 WeakPolarHBondContact O-CE 3.4Å
465	P	74.7	Confident	68.3	Low	25 Å²	25	61.9 Å²	61.9	16%	0.162	36%	0.356	C	S	.	.			trans	-58.7	149.3	178.9	-21	28.2	0	0	0	111.9	W427 A467 V468 K469	W427-P465 HydrophobicContact CB-CG 4.12Å; W427-P465 HydrophobicContact CD2-CB 4.23Å; W427-P465 HydrophobicContact CG-CB 4.02Å; W427-P465 HydrophobicContact CG-CG 3.79Å; P465-A467 VanDerWaalsContact C-N 3.27Å; P465-A467 PolarHBondContact O-N 2.93Å; P465-V468 HydrophobicContact CB-CG2 4.35Å; P465-V468 HydrophobicContact CG-CG2 4.24Å; P465-V468 WeakPolarHBondContact O-CB 3.25Å; P465-V468 PolarHBondContact O-N 2.82Å; P465-K469 PolarHBondContact O-N 3.39Å
466	P	66.9	Low	67.5	Low	60 Å²	60	62 Å²	62	39%	0.39	35%	0.354	S	S	.	.	H	α-helix	trans	-51.7	-42	177	-28.4	35.5	0	0	0	113.7	W427 V468 K469 W470	W427-P466 HydrophobicContact CH2-CG 4.16Å; W427-P466 HydrophobicContact CZ2-CG 4.48Å; P466-V468 PolarHBondContact O-N 2.8Å; P466-V468 VanDerWaalsContact O-N 3.11Å; P466-K469 CarbonylContact O-C 3.51Å; P466-K469 WeakPolarHBondContact O-CA 3.25Å; P466-K469 WeakPolarHBondContact O-CB 3.14Å; P466-K469 PolarHBondContact O-N 3.05Å; P466-W470 VanDerWaalsContact O-CD1 3.24Å; P466-W470 PolarHBondContact O-N 3.46Å
467	A	59.7	Low	66.7	Low	83 Å²	83	61.8 Å²	61.8	69%	0.686	35%	0.349	S	S	*	.	H	α-helix	trans	-56.4	-30.5	177.7	0	0	0	0	0	113.5	P465 G471	P465-A467 VanDerWaalsContact C-N 3.27Å; P465-A467 PolarHBondContact O-N 2.93Å; A467-G471 PolarHBondContact O-N 3.49Å
468	V	54.2	Low	65.7	Low	70 Å²	70	68.9 Å²	68.9	42%	0.424	38%	0.378	S	S	.	.	H	α-helix	trans	-73.2	-41.8	173.3	-176.4	0	0	0	0	110.7	P465 P466 W470 G471 S472	P465-V468 HydrophobicContact CB-CG2 4.35Å; P465-V468 HydrophobicContact CG-CG2 4.24Å; P465-V468 WeakPolarHBondContact O-CB 3.25Å; P465-V468 PolarHBondContact O-N 2.82Å; P466-V468 PolarHBondContact O-N 2.8Å; P466-V468 VanDerWaalsContact O-N 3.11Å; V468-W470 PolarHBondContact O-N 2.92Å; V468-G471 PolarHBondContact O-N 2.81Å; V468-S472 WeakPolarHBondContact O-CB 3.48Å; V468-S472 PolarHBondContact O-N 3.41Å
469	K	51	Low	64.6	Low	86 Å²	86	69.9 Å²	69.9	37%	0.374	38%	0.381	S	S	.	.	H	α-helix	trans	-64.7	-35.5	176.4	-58.5	-178.4	-174.1	168.7	0	113.4	E461 D464 P465 P466	E461-K469 VanDerWaalsContact CA-NZ 3.31Å; E461-K469 PolarHBondContact O-NZ 2.81Å; D464-K469 VanDerWaalsContact O-CE 3.25Å; D464-K469 WeakPolarHBondContact O-CE 3.4Å; P465-K469 PolarHBondContact O-N 3.39Å; P466-K469 CarbonylContact O-C 3.51Å; P466-K469 WeakPolarHBondContact O-CA 3.25Å; P466-K469 WeakPolarHBondContact O-CB 3.14Å; P466-K469 PolarHBondContact O-N 3.05Å
470	W	46.8	Very low	63.3	Low	238 Å²	238	67.7 Å²	67.7	90%	0.902	38%	0.381	S	S	*	.	H	α-helix	trans	-79.2	-27.9	177.8	-75.2	81.7	0	0	0	112.8	P466 V468	P466-W470 VanDerWaalsContact O-CD1 3.24Å; P466-W470 PolarHBondContact O-N 3.46Å; V468-W470 PolarHBondContact O-N 2.92Å
471	G	48	Very low	62	Low	66 Å²	66	69.6 Å²	69.6	68%	0.68	39%	0.391	S	S	*	.	H	α-helix	trans	-86.4	-16.3	174.5	0	0	0	0	0	114.8	A467 V468	A467-G471 PolarHBondContact O-N 3.49Å; V468-G471 PolarHBondContact O-N 2.81Å
472	S	47.1	Very low	60.9	Low	62 Å²	62	69.5 Å²	69.5	43%	0.434	39%	0.393	S	S	.	.	S	Bend	trans	-146.7	116.9	-175.5	-76.9	0	0	0	0	112	V468	V468-S472 WeakPolarHBondContact O-CB 3.48Å; V468-S472 PolarHBondContact O-N 3.41Å
473	V	54.8	Low	59.6	Low	47 Å²	47	69.3 Å²	69.3	29%	0.285	39%	0.393	S	S	.	.			trans	63.4	100.7	144.4	-166.4	0	0	0	0	117	N670 V671 T672	V473-N670 VanDerWaalsContact CG1-C 3.42Å; V473-N670 WeakPolarHBondContact CG1-O 3.44Å; V473-N670 VanDerWaalsContact CG2-O 3.3Å; V473-N670 WeakPolarHBondContact CG2-O 3.31Å; V473-V671 VanDerWaalsContact CG1-CA 3.46Å; V473-V671 WeakPolarHBondContact CG1-O 3.41Å; V473-T672 VanDerWaalsContact CG1-C 3.49Å
474	S	53.1	Low	58.5	Low	106 Å²	106	72.3 Å²	72.3	74%	0.741	41%	0.412	S	S	*	.			trans	-95.1	121.3	170	46.1	0	0	0	0	110.8	P476 V671	S474-P476 WeakPolarHBondContact O-CD 3.4Å; S474-P476 VanDerWaalsContact O-N 3.16Å; S474-V671 CarbonylContact C-O 3.53Å
475	N	58.5	Low	57.5	Low	49 Å²	49	77.2 Å²	77.2	26%	0.262	43%	0.434	S	S	.	.			trans	-63.4	114.2	173.1	-177.9	4.3	0	0	0	109.5	L477 D594 V671 T672	N475-L477 PolarHBondContact O-N 3.03Å; N475-L477 VanDerWaalsContact OD1-CB 3.24Å; N475-L477 WeakPolarHBondContact OD1-CB 3.36Å; N475-L477 PolarHBondContact OD1-N 3.26Å; N475-D594 VanDerWaalsContact ND2-CB 3.26Å; N475-D594 WeakPolarHBondContact ND2-CB 3.41Å; N475-D594 PolarHBondContact ND2-OD2 3.29Å; N475-V671 WeakPolarHBondContact CA-O 3.26Å; N475-T672 HydrophobicContact CB-CG2 4.46Å
476	P	58.9	Low	56.9	Low	44 Å²	44	81.4 Å²	81.4	29%	0.286	46%	0.464	S	S	.	.			trans	-81.3	-4.9	-177.5	34.8	-36	0	0	0	112.7	S474 F478 Y636 V671	S474-P476 WeakPolarHBondContact O-CD 3.4Å; S474-P476 VanDerWaalsContact O-N 3.16Å; P476-F478 PolarHBondContact O-N 2.86Å; P476-Y636 HydrophobicContact CB-CE1 4.05Å; P476-Y636 HydrophobicContact CG-CD1 4.24Å; P476-Y636 HydrophobicContact CG-CE1 3.37Å; P476-V671 VanDerWaalsContact CD-CG1 3.45Å; P476-V671 HydrophobicContact CG-CG1 3.64Å
477	L	65.3	Low	57.4	Low	20 Å²	20	82.2 Å²	82.2	11%	0.105	46%	0.463	C	S	.	.			trans	-87.5	95.1	-179.4	-60.7	175.7	0	0	0	109.7	N475 L479 D594 H634 Y636 F637	N475-L477 PolarHBondContact O-N 3.03Å; N475-L477 VanDerWaalsContact OD1-CB 3.24Å; N475-L477 WeakPolarHBondContact OD1-CB 3.36Å; N475-L477 PolarHBondContact OD1-N 3.26Å; L477-L479 HydrophobicContact CB-CD1 3.78Å; L477-L479 HydrophobicContact CB-CG 3.91Å; L477-L479 HydrophobicContact CD1-CD1 4.03Å; L477-L479 HydrophobicContact CG-CD1 4.34Å; L477-L479 PolarHBondContact O-N 3.14Å; L477-D594 HydrophobicContact CD1-CB 4.22Å; L477-H634 HydrophobicContact CD1-CB 4.2Å; L477-H634 WeakPolarHBondContact CD2-ND1 3.42Å; L477-Y636 HydrophobicContact CD2-CD1 3.59Å; L477-Y636 HydrophobicContact CD2-CE1 4.34Å; L477-Y636 HydrophobicContact CD2-CG 3.71Å; L477-Y636 HydrophobicContact CG-CD1 4.25Å; L477-F637 HydrophobicContact CD1-CE2 4.1Å; L477-F637 HydrophobicContact CD1-CZ 3.86Å
478	F	61.6	Low	58.9	Low	207 Å²	207	78.6 Å²	78.6	91%	0.908	43%	0.433	S	S	*	.			trans	-71.7	56.9	167.5	-64	-81.6	0	0	0	111.2	P476	P476-F478 PolarHBondContact O-N 2.86Å
479	L	57.8	Low	60.9	Low	43 Å²	43	75.2 Å²	75.2	23%	0.225	41%	0.413	C	S	.	.			trans	-86.1	147.4	-178.7	-70.5	169.8	0	0	0	111.1	L477 P593	L477-L479 HydrophobicContact CB-CD1 3.78Å; L477-L479 HydrophobicContact CB-CG 3.91Å; L477-L479 HydrophobicContact CD1-CD1 4.03Å; L477-L479 HydrophobicContact CG-CD1 4.34Å; L477-L479 PolarHBondContact O-N 3.14Å; L479-P593 HydrophobicContact CB-CG 4.47Å; L479-P593 HydrophobicContact CD1-CB 3.84Å; L479-P593 HydrophobicContact CD1-CG 3.83Å
480	P	51.9	Low	63.1	Low	65 Å²	65	71.1 Å²	71.1	42%	0.422	40%	0.395	S	S	.	.			trans	-61.6	145.1	159.5	30.2	-33.8	0	0	0	108.9	I482	P480-I482 PolarHBondContact O-N 3.2Å
481	L	52	Low	65.6	Low	70 Å²	70	59.8 Å²	59.8	37%	0.366	35%	0.353	S	S	.	.	S	Bend	trans	-57.5	-19.9	-176.9	-79.6	164.2	0	0	0	114.2	P453 A456	P453-L481 WeakPolarHBondContact O-CD1 3.16Å; A456-L481 HydrophobicContact CB-CD1 4.11Å
482	I	57.2	Low	68	Low	91 Å²	91	56.7 Å²	56.7	47%	0.467	32%	0.32	S	S	.	.	S	Bend	trans	-134.8	114.1	169.3	-54.1	178.6	0	0	0	109.7	P480 R590	P480-I482 PolarHBondContact O-N 3.2Å; I482-R590 WeakPolarHBondContact CA-O 3.46Å; I482-R590 HydrophobicContact CG2-CB 4.41Å
483	P	61.6	Low	70.3	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.019	30%	0.3	C	S	.	.			trans	-63.6	146.2	172	-22.7	35.3	0	0	0	112.1	W589 R590 P593	P483-W589 HydrophobicContact CB-CZ3 4.35Å; P483-W589 HydrophobicContact CG-CH2 4.12Å; P483-W589 HydrophobicContact CG-CZ3 4.05Å; P483-R590 WeakPolarHBondContact CD-O 3.28Å; P483-R590 VanDerWaalsContact O-CZ 3.3Å; P483-R590 PolarHBondContact O-NE 2.92Å; P483-R590 PolarHBondContact O-NH2 3.46Å; P483-P593 HydrophobicContact CG-CB 3.86Å; P483-P593 HydrophobicContact CG-CG 3.96Å
484	P	65.3	Low	72.3	Confident	64 Å²	64	52.3 Å²	52.3	42%	0.416	29%	0.29	S	S	.	.			trans	-64.8	137.7	-178.5	26.7	-34.4	0	0	0	112.2	S486	P484-S486 PolarHBondContact O-N 3.1Å; P484-S486 VanDerWaalsContact O-N 3.08Å
485	Q	62.2	Low	74.3	Confident	122 Å²	122	47.4 Å²	47.4	57%	0.57	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-57.5	-24.8	179.8	-78.5	-173.1	-38.7	0	0	114.3	Q487 G488 R590	Q485-Q487 PolarHBondContact O-N 3.18Å; Q485-Q487 VanDerWaalsContact O-N 3.15Å; Q485-G488 PolarHBondContact O-N 2.76Å; Q485-R590 VanDerWaalsContact CG-NH1 3.32Å
486	S	61.4	Low	75.9	Confident	113 Å²	113	49.9 Å²	49.9	79%	0.79	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-69.6	-9.9	-168.5	55	0	0	0	0	115.7	P484	P484-S486 PolarHBondContact O-N 3.1Å; P484-S486 VanDerWaalsContact O-N 3.08Å
487	Q	76.6	Confident	77.3	Confident	78 Å²	78	51.4 Å²	51.4	36%	0.364	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-91.4	-22.9	179.2	-67.8	-165.6	19.6	0	0	114.5	Q485 S516 T564	Q485-Q487 PolarHBondContact O-N 3.18Å; Q485-Q487 VanDerWaalsContact O-N 3.15Å; Q487-S516 PolarHBondContact O-OG 3.32Å; Q487-T564 WeakPolarHBondContact O-CG2 3.02Å
488	G	92.6	Very high	78.5	Confident	6 Å²	6	54 Å²	54	6%	0.062	28%	0.276	C	S	.	.			trans	59.6	-148.2	-172.6	0	0	0	0	0	113.4	Q485 S514 S516 Y586	Q485-G488 PolarHBondContact O-N 2.76Å; G488-S514 CarbonylContact C-O 3.6Å; G488-S514 WeakPolarHBondContact CA-O 3.39Å; G488-S516 WeakPolarHBondContact CA-OG 3.29Å; G488-Y586 WeakPolarHBondContact CA-OH 3.43Å; G488-Y586 PolarHBondContact N-OH 3.48Å; G488-Y586 VanDerWaalsContact O-CE2 3.29Å; G488-Y586 WeakPolarHBondContact O-CE2 3.38Å; G488-Y586 PolarHBondContact O-OH 2.97Å; G488-Y586 VanDerWaalsContact O-OH 3.07Å
489	F	96.1	Very high	79.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	160.4	178.1	67.3	-92	0	0	0	113.6	A491 V512 S514 L515 S516 A566 L568 Y586 F632	F489-A491 HydrophobicContact CE2-CB 4.33Å; F489-V512 HydrophobicContact CE1-CG1 3.68Å; F489-V512 HydrophobicContact CZ-CB 4.15Å; F489-V512 HydrophobicContact CZ-CG1 3.74Å; F489-S514 WeakPolarHBondContact CD1-O 3.38Å; F489-S514 PolarHBondContact N-O 3.37Å; F489-L515 HydrophobicContact CD2-CD1 3.98Å; F489-L515 HydrophobicContact CE2-CB 4.42Å; F489-L515 HydrophobicContact CE2-CD1 3.52Å; F489-L515 HydrophobicContact CZ-CB 4.13Å; F489-L515 HydrophobicContact CZ-CD1 4.08Å; F489-S516 PolarHBondContact O-N 3.13Å; F489-A566 HydrophobicContact CB-CB 3.53Å; F489-L568 HydrophobicContact CD2-CB 3.76Å; F489-L568 HydrophobicContact CD2-CD2 4.46Å; F489-L568 HydrophobicContact CE2-CB 3.87Å; F489-L568 HydrophobicContact CE2-CD2 3.7Å; F489-L568 HydrophobicContact CE2-CG 4.45Å; F489-L568 HydrophobicContact CZ-CD2 4.35Å; F489-Y586 HydrophobicContact CB-CD2 3.93Å; F489-Y586 HydrophobicContact CB-CE2 3.96Å; F489-Y586 HydrophobicContact CD1-CD1 4.38Å; F489-Y586 AromaticContact CD1-CD2 3.62Å; F489-Y586 HydrophobicContact CD1-CD2 3.62Å; F489-Y586 HydrophobicContact CD1-CE2 4.13Å; F489-Y586 AromaticContact CD1-CG 3.76Å; F489-Y586 HydrophobicContact CD1-CG 3.76Å; F489-Y586 HydrophobicContact CE1-CG 4.29Å; F489-Y586 HydrophobicContact CG-CD2 4.16Å; F489-F632 HydrophobicContact CB-CE1 4.34Å; F489-F632 AromaticContact CD1-CE1 3.87Å; F489-F632 HydrophobicContact CD1-CE1 3.87Å; F489-F632 AromaticContact CD2-CE1 3.81Å; F489-F632 HydrophobicContact CD2-CE1 3.81Å; F489-F632 HydrophobicContact CE1-CE1 4.03Å; F489-F632 HydrophobicContact CE1-CZ 4.3Å; F489-F632 AromaticContact CE2-CE1 3.98Å; F489-F632 HydrophobicContact CE2-CE1 3.98Å; F489-F632 HydrophobicContact CE2-CZ 4.38Å; F489-F632 AromaticContact CG-CE1 3.76Å; F489-F632 HydrophobicContact CG-CE1 3.76Å; F489-F632 HydrophobicContact CZ-CE1 4.09Å; F489-F632 HydrophobicContact CZ-CZ 4.21Å
490	T	97.5	Very high	81.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.8	172	-61.6	0	0	0	0	109	K517 L519 T564 A566 V567 L568	T490-K517 WeakPolarHBondContact CA-O 3.43Å; T490-K517 HydrophobicContact CG2-CB 4.22Å; T490-L519 HydrophobicContact CG2-CB 4.48Å; T490-T564 WeakPolarHBondContact CB-OG1 3.32Å; T490-T564 PolarHBondContact N-OG1 3.12Å; T490-T564 PolarHBondContact OG1-OG1 3.44Å; T490-A566 PolarHBondContact N-O 3.23Å; T490-A566 VanDerWaalsContact N-O 3.11Å; T490-V567 WeakPolarHBondContact O-CA 3.43Å; T490-L568 PolarHBondContact O-N 3.11Å
491	A	97.8	Very high	83.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.5	172.4	0	0	0	0	0	110.6	F489 V509 L515 K517 L518 L519 L568	F489-A491 HydrophobicContact CE2-CB 4.33Å; A491-V509 HydrophobicContact CB-CG1 3.78Å; A491-L515 HydrophobicContact CB-CD1 3.63Å; A491-K517 PolarHBondContact N-O 3.08Å; A491-L518 HydrophobicContact CB-CG 4.31Å; A491-L519 PolarHBondContact O-N 2.99Å; A491-L568 CarbonylContact C-O 3.39Å; A491-L568 WeakPolarHBondContact CA-O 3.43Å; A491-L568 HydrophobicContact CB-CB 4.44Å; A491-L568 HydrophobicContact CB-CD2 4.33Å
492	I	98.1	Very high	85.3	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.4	174.3	-54.5	-178.9	0	0	0	108.3	L519 V521 R555 I562 V567 L568 I570	I492-L519 WeakPolarHBondContact CA-O 3.3Å; I492-L519 HydrophobicContact CG1-CB 4.42Å; I492-L519 HydrophobicContact CG1-CD2 4.34Å; I492-V521 HydrophobicContact CG2-CG2 3.77Å; I492-R555 HydrophobicContact CG2-CB 4.26Å; I492-I562 HydrophobicContact CD1-CD1 3.65Å; I492-I562 HydrophobicContact CD1-CG1 4.16Å; I492-V567 HydrophobicContact CD1-CG1 3.43Å; I492-V567 VanDerWaalsContact CD1-CG1 3.43Å; I492-V567 HydrophobicContact CG1-CG1 3.8Å; I492-L568 PolarHBondContact N-O 2.83Å; I492-I570 PolarHBondContact O-N 2.76Å; I492-I570 VanDerWaalsContact O-N 3.12Å
493	V	97.3	Very high	87.1	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.3	175.4	-161.4	0	0	0	0	108.8	L502 V505 L518 L519 V520 V521 I570 D572	V493-L502 HydrophobicContact CB-CD1 4.06Å; V493-L502 HydrophobicContact CG1-CD1 3.6Å; V493-V505 HydrophobicContact CG1-CG1 4.5Å; V493-L518 HydrophobicContact CG2-CD2 4.29Å; V493-L519 PolarHBondContact N-O 3.12Å; V493-V520 WeakPolarHBondContact O-CA 3.49Å; V493-V521 PolarHBondContact O-N 2.89Å; V493-I570 HydrophobicContact CG1-CG2 4.47Å; V493-I570 HydrophobicContact CG2-CG2 3.81Å; V493-D572 HydrophobicContact CG1-CB 4.08Å
494	L	95.8	Very high	88.6	Confident	17 Å²	17	45.9 Å²	45.9	9%	0.089	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.5	169.6	-173	68	0	0	0	108.3	V521 N523 L552 N554 R555	L494-V521 HydrophobicContact CD1-CB 3.75Å; L494-V521 HydrophobicContact CD1-CG1 3.49Å; L494-V521 VanDerWaalsContact CD1-CG1 3.49Å; L494-N523 HydrophobicContact CD1-CB 4Å; L494-L552 HydrophobicContact CD2-CD2 4.11Å; L494-N554 HydrophobicContact CD1-CB 4.39Å; L494-R555 HydrophobicContact CB-CB 4.11Å; L494-R555 HydrophobicContact CD1-CB 4.45Å; L494-R555 HydrophobicContact CD2-CB 4.45Å
495	T	94.3	Very high	89.9	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142	178.1	-172.3	0	0	0	0	114.1	L502 V520 V521 W522 N523 D572	T495-L502 HydrophobicContact CG2-CD1 4.45Å; T495-L502 HydrophobicContact CG2-CD2 3.76Å; T495-V520 HydrophobicContact CG2-CG1 3.78Å; T495-V521 PolarHBondContact N-O 3.34Å; T495-W522 HydrophobicContact CG2-CD2 4.47Å; T495-W522 HydrophobicContact CG2-CE3 3.71Å; T495-W522 HydrophobicContact CG2-CZ3 4.14Å; T495-N523 WeakPolarHBondContact O-CB 3.35Å; T495-N523 PolarHBondContact O-N 3.47Å; T495-D572 WeakPolarHBondContact CA-OD2 3.43Å; T495-D572 VanDerWaalsContact CB-OD2 3.25Å; T495-D572 WeakPolarHBondContact CB-OD2 3.22Å; T495-D572 PolarHBondContact OG1-OD2 3.33Å
496	Y	92.2	Very high	91.5	Very high	102 Å²	102	37.1 Å²	37.1	40%	0.4	18%	0.184	S	C	.	.	S	Bend	trans	-139.1	104.8	170.7	-173.6	-87.6	0	0	0	109.8	R498 N523 N524 N550 D572	Y496-R498 VanDerWaalsContact C-N 3.3Å; Y496-R498 PolarHBondContact O-N 2.71Å; Y496-N523 HydrophobicContact CD2-CB 4.49Å; Y496-N524 HydrophobicContact CD2-CB 4.02Å; Y496-N524 HydrophobicContact CE2-CB 4.13Å; Y496-N550 HydrophobicContact CE2-CB 4.33Å; Y496-N550 WeakPolarHBondContact CE2-ND2 3.27Å; Y496-D572 PolarHBondContact N-OD2 2.75Å
497	D	89.5	Confident	93.1	Very high	75 Å²	75	34.3 Å²	34.3	40%	0.401	16%	0.162	S	C	.	.	S	Bend	trans	60.2	23	171.7	-142.1	8.5	0	0	0	117.5	K527	D497-K527 VanDerWaalsContact OD1-CD 3.28Å; D497-K527 WeakPolarHBondContact OD1-CD 3.47Å; D497-K527 IonicContact OD1-NZ 2.64Å; D497-K527 PolarHBondContact OD1-NZ 3.35Å; D497-K527 IonicContact OD2-NZ 2.67Å; D497-K527 PolarHBondContact OD2-NZ 3.46Å
498	R	89.5	Confident	93.8	Very high	76 Å²	76	33.5 Å²	33.5	29%	0.287	16%	0.159	S	C	.	.			trans	-122.5	48.1	-178	-65	163.1	167.3	-157.6	-6.1	113	Y496 E500 S501 L502 D572 D573 D694	Y496-R498 VanDerWaalsContact C-N 3.3Å; Y496-R498 PolarHBondContact O-N 2.71Å; R498-E500 VanDerWaalsContact C-N 3.33Å; R498-E500 PolarHBondContact O-N 3.41Å; R498-S501 PolarHBondContact O-N 3.31Å; R498-S501 VanDerWaalsContact O-N 3.14Å; R498-L502 WeakPolarHBondContact O-CB 3.45Å; R498-L502 PolarHBondContact O-N 3.38Å; R498-D572 WeakPolarHBondContact CB-OD2 3.47Å; R498-D572 WeakPolarHBondContact CD-OD1 3.39Å; R498-D572 IonicContact CZ-OD1 3.61Å; R498-D572 IonicContact NE-OD1 2.71Å; R498-D572 IonicContact NH1-OD1 2.78Å; R498-D572 PolarHBondContact NH1-OD1 2.98Å; R498-D572 VanDerWaalsContact NH1-OD1 3.13Å; R498-D573 IonicContact CZ-OD2 3.76Å; R498-D573 VanDerWaalsContact NH1-CG 3.35Å; R498-D573 IonicContact NH1-OD2 2.89Å; R498-D573 PolarHBondContact NH1-OD2 2.86Å; R498-D573 IonicContact NH2-OD2 2.75Å; R498-D694 PolarHBondContact NH2-O 2.78Å
499	V	91.3	Very high	93.9	Very high	41 Å²	41	33.3 Å²	33.3	25%	0.248	16%	0.156	C	C	.	.	H	α-helix	trans	-54.5	-41.1	-170.8	-179.1	0	0	0	0	113.9	L502 F503 W522 P530	V499-L502 WeakPolarHBondContact O-CB 3.1Å; V499-F503 HydrophobicContact CG1-CD1 4.24Å; V499-F503 HydrophobicContact CG1-CD2 4.38Å; V499-F503 HydrophobicContact CG1-CE1 3.82Å; V499-F503 HydrophobicContact CG1-CE2 3.96Å; V499-F503 HydrophobicContact CG1-CZ 3.68Å; V499-F503 WeakPolarHBondContact O-CD1 3.28Å; V499-F503 WeakPolarHBondContact O-CG 3.45Å; V499-F503 PolarHBondContact O-N 2.7Å; V499-W522 HydrophobicContact CG2-CH2 3.76Å; V499-W522 HydrophobicContact CG2-CZ3 4.15Å; V499-P530 HydrophobicContact CG1-CG 3.65Å; V499-P530 HydrophobicContact CG2-CG 4.32Å
500	E	90.4	Very high	93.9	Very high	127 Å²	127	34.8 Å²	34.8	59%	0.593	17%	0.167	S	C	*	.	H	α-helix	trans	-65.7	-44.9	179.7	-170.2	-173.8	158.4	0	0	111.9	R498 F503 R504	R498-E500 VanDerWaalsContact C-N 3.33Å; R498-E500 PolarHBondContact O-N 3.41Å; E500-F503 PolarHBondContact O-N 3.42Å; E500-R504 WeakPolarHBondContact O-CG 3.37Å; E500-R504 PolarHBondContact O-N 3.02Å; E500-R504 IonicContact OE1-CZ 2.78Å; E500-R504 IonicContact OE1-NE 3.56Å; E500-R504 IonicContact OE1-NH2 2.71Å; E500-R504 PolarHBondContact OE1-NH2 3.16Å
501	S	90.6	Very high	93.8	Very high	16 Å²	16	40 Å²	40	11%	0.112	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-45.1	178.5	-169.1	0	0	0	0	111.1	R498 F503 R504 V505 D572 D573	R498-S501 PolarHBondContact O-N 3.31Å; R498-S501 VanDerWaalsContact O-N 3.14Å; S501-F503 VanDerWaalsContact C-N 3.3Å; S501-F503 PolarHBondContact O-N 3Å; S501-R504 WeakPolarHBondContact O-CB 3.49Å; S501-R504 PolarHBondContact O-N 3.4Å; S501-V505 PolarHBondContact O-N 3.37Å; S501-D572 CarbonylContact C-O 3.4Å; S501-D572 VanDerWaalsContact C-O 3.29Å; S501-D572 WeakPolarHBondContact CB-O 3.24Å; S501-D572 PolarHBondContact OG-O 2.87Å; S501-D573 WeakPolarHBondContact OG-CA 3.14Å
502	L	93.8	Very high	93.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-51.4	-46.8	172	170.6	68.3	0	0	0	112.1	V493 T495 R498 V499 R504 V505 I506 V520 W535 D572	V493-L502 HydrophobicContact CB-CD1 4.06Å; V493-L502 HydrophobicContact CG1-CD1 3.6Å; T495-L502 HydrophobicContact CG2-CD1 4.45Å; T495-L502 HydrophobicContact CG2-CD2 3.76Å; R498-L502 WeakPolarHBondContact O-CB 3.45Å; R498-L502 PolarHBondContact O-N 3.38Å; V499-L502 WeakPolarHBondContact O-CB 3.1Å; L502-R504 VanDerWaalsContact C-N 3.29Å; L502-R504 PolarHBondContact O-N 3.44Å; L502-V505 PolarHBondContact O-N 2.88Å; L502-I506 HydrophobicContact CD1-CD1 3.76Å; L502-I506 HydrophobicContact CD1-CG1 4.17Å; L502-I506 HydrophobicContact CD2-CD1 4.49Å; L502-I506 HydrophobicContact CG-CD1 3.75Å; L502-I506 WeakPolarHBondContact O-CB 3.45Å; L502-I506 VanDerWaalsContact O-CG1 3.24Å; L502-I506 WeakPolarHBondContact O-CG1 3.49Å; L502-I506 PolarHBondContact O-N 2.95Å; L502-V520 HydrophobicContact CD1-CG1 4.15Å; L502-V520 HydrophobicContact CD1-CG2 4.47Å; L502-V520 HydrophobicContact CD2-CG1 4.15Å; L502-W535 HydrophobicContact CD2-CH2 4.09Å; L502-W535 HydrophobicContact CD2-CZ3 4.06Å; L502-D572 HydrophobicContact CB-CB 4.34Å; L502-D572 HydrophobicContact CD1-CB 4.5Å; L502-D572 PolarHBondContact N-O 3.19Å
503	F	95.2	Very high	93.4	Very high	40 Å²	40	45.4 Å²	45.4	18%	0.175	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-32.4	-179.7	-75	4.8	0	0	0	112.6	V499 E500 S501 I506 T507 P530 L534 W535 P536	V499-F503 HydrophobicContact CG1-CD1 4.24Å; V499-F503 HydrophobicContact CG1-CD2 4.38Å; V499-F503 HydrophobicContact CG1-CE1 3.82Å; V499-F503 HydrophobicContact CG1-CE2 3.96Å; V499-F503 HydrophobicContact CG1-CZ 3.68Å; V499-F503 WeakPolarHBondContact O-CD1 3.28Å; V499-F503 WeakPolarHBondContact O-CG 3.45Å; V499-F503 PolarHBondContact O-N 2.7Å; E500-F503 PolarHBondContact O-N 3.42Å; S501-F503 VanDerWaalsContact C-N 3.3Å; S501-F503 PolarHBondContact O-N 3Å; F503-I506 HydrophobicContact CD1-CD1 4.41Å; F503-T507 WeakPolarHBondContact O-CB 3.44Å; F503-T507 PolarHBondContact O-N 3.15Å; F503-T507 PolarHBondContact O-OG1 3.36Å; F503-P530 HydrophobicContact CZ-CB 4.22Å; F503-P530 HydrophobicContact CZ-CG 4.03Å; F503-L534 HydrophobicContact CE2-CB 4.48Å; F503-L534 WeakPolarHBondContact CE2-O 3.34Å; F503-W535 HydrophobicContact CD1-CE3 4.23Å; F503-W535 HydrophobicContact CD1-CZ3 4.42Å; F503-W535 AromaticContact CE1-CD2 3.79Å; F503-W535 HydrophobicContact CE1-CD2 3.79Å; F503-W535 AromaticContact CE1-CE3 3.56Å; F503-W535 HydrophobicContact CE1-CE3 3.56Å; F503-W535 HydrophobicContact CE1-CG 4.34Å; F503-W535 HydrophobicContact CE1-CH2 4.33Å; F503-W535 AromaticContact CE1-CZ3 3.83Å; F503-W535 HydrophobicContact CE1-CZ3 3.83Å; F503-W535 HydrophobicContact CZ-CD2 4.15Å; F503-W535 HydrophobicContact CZ-CE3 4.36Å; F503-W535 HydrophobicContact CZ-CG 4.3Å; F503-P536 HydrophobicContact CB-CG 3.81Å; F503-P536 HydrophobicContact CD1-CG 4.23Å; F503-P536 HydrophobicContact CD2-CG 4.46Å; F503-P536 HydrophobicContact CG-CG 3.94Å
504	R	92.5	Very high	93.3	Very high	84 Å²	84	46.3 Å²	46.3	32%	0.317	23%	0.231	S	C	.	.	H	α-helix	trans	-70.5	-47.3	172.9	-64.6	171.9	-178.2	-140.9	16.9	111.5	E500 S501 L502 I506 T507 E508 I575 E689	E500-R504 WeakPolarHBondContact O-CG 3.37Å; E500-R504 PolarHBondContact O-N 3.02Å; E500-R504 IonicContact OE1-CZ 2.78Å; E500-R504 IonicContact OE1-NE 3.56Å; E500-R504 IonicContact OE1-NH2 2.71Å; E500-R504 PolarHBondContact OE1-NH2 3.16Å; S501-R504 WeakPolarHBondContact O-CB 3.49Å; S501-R504 PolarHBondContact O-N 3.4Å; L502-R504 VanDerWaalsContact C-N 3.29Å; L502-R504 PolarHBondContact O-N 3.44Å; R504-I506 VanDerWaalsContact C-N 3.34Å; R504-I506 PolarHBondContact O-N 3.46Å; R504-T507 WeakPolarHBondContact O-CB 3.45Å; R504-T507 PolarHBondContact O-N 2.95Å; R504-E508 PolarHBondContact O-N 3.1Å; R504-I575 HydrophobicContact CB-CG2 4.04Å; R504-E689 IonicContact CZ-OE1 2.64Å; R504-E689 IonicContact CZ-OE2 3.3Å; R504-E689 IonicContact NH1-OE1 3.15Å; R504-E689 PolarHBondContact NH1-OE1 2.9Å; R504-E689 IonicContact NH1-OE2 2.65Å; R504-E689 PolarHBondContact NH1-OE2 2.73Å; R504-E689 IonicContact NH2-OE1 4Å; R504-E689 IonicContact NH2-OE2 2.68Å; R504-E689 PolarHBondContact NH2-OE2 2.93Å
505	V	93.7	Very high	93.3	Very high	1 Å²	1	46 Å²	46	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-56.8	-47	175	174.8	0	0	0	0	111	V493 S501 L502 T507 E508 V509 I570 D572 I575	V493-V505 HydrophobicContact CG1-CG1 4.5Å; S501-V505 PolarHBondContact O-N 3.37Å; L502-V505 PolarHBondContact O-N 2.88Å; V505-T507 VanDerWaalsContact C-N 3.3Å; V505-T507 PolarHBondContact O-N 3.24Å; V505-E508 PolarHBondContact O-N 3.3Å; V505-V509 HydrophobicContact CG1-CG2 4.13Å; V505-V509 WeakPolarHBondContact O-CB 3.35Å; V505-V509 VanDerWaalsContact O-CG2 3.25Å; V505-V509 WeakPolarHBondContact O-CG2 3.43Å; V505-V509 PolarHBondContact O-N 2.85Å; V505-I570 HydrophobicContact CG1-CD1 4.08Å; V505-I570 HydrophobicContact CG1-CG1 4.33Å; V505-I570 HydrophobicContact CG1-CG2 4.15Å; V505-D572 WeakPolarHBondContact CG2-O 3.48Å; V505-I575 HydrophobicContact CG2-CG2 3.86Å
506	I	95.5	Very high	93.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.3	-44.5	174.2	-72.8	166.2	0	0	0	111.3	L502 F503 R504 S510 L518 V520 W535 P536 I538 L542	L502-I506 HydrophobicContact CD1-CD1 3.76Å; L502-I506 HydrophobicContact CD1-CG1 4.17Å; L502-I506 HydrophobicContact CD2-CD1 4.49Å; L502-I506 HydrophobicContact CG-CD1 3.75Å; L502-I506 WeakPolarHBondContact O-CB 3.45Å; L502-I506 VanDerWaalsContact O-CG1 3.24Å; L502-I506 WeakPolarHBondContact O-CG1 3.49Å; L502-I506 PolarHBondContact O-N 2.95Å; F503-I506 HydrophobicContact CD1-CD1 4.41Å; R504-I506 VanDerWaalsContact C-N 3.34Å; R504-I506 PolarHBondContact O-N 3.46Å; I506-S510 WeakPolarHBondContact O-CB 3.35Å; I506-S510 PolarHBondContact O-N 3.5Å; I506-S510 PolarHBondContact O-OG 3.39Å; I506-L518 HydrophobicContact CB-CD1 4.28Å; I506-L518 HydrophobicContact CD1-CD2 4.38Å; I506-L518 HydrophobicContact CG1-CD1 4Å; I506-L518 HydrophobicContact CG1-CD2 3.96Å; I506-L518 HydrophobicContact CG2-CD1 4.12Å; I506-V520 HydrophobicContact CD1-CG2 4.06Å; I506-W535 HydrophobicContact CD1-CE3 4Å; I506-W535 HydrophobicContact CD1-CZ3 3.74Å; I506-P536 HydrophobicContact CB-CG 4.4Å; I506-P536 HydrophobicContact CG2-CB 4.01Å; I506-P536 HydrophobicContact CG2-CG 3.99Å; I506-I538 HydrophobicContact CG2-CD1 4.19Å; I506-I538 HydrophobicContact CG2-CG2 4.02Å; I506-L542 HydrophobicContact CD1-CD1 4.19Å; I506-L542 HydrophobicContact CG2-CD1 4.07Å
507	T	94.1	Very high	93.6	Very high	55 Å²	55	44.4 Å²	44.4	34%	0.337	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-44.5	-178.7	-60.3	0	0	0	0	111.6	F503 R504 V505 S510	F503-T507 WeakPolarHBondContact O-CB 3.44Å; F503-T507 PolarHBondContact O-N 3.15Å; F503-T507 PolarHBondContact O-OG1 3.36Å; R504-T507 WeakPolarHBondContact O-CB 3.45Å; R504-T507 PolarHBondContact O-N 2.95Å; V505-T507 VanDerWaalsContact C-N 3.3Å; V505-T507 PolarHBondContact O-N 3.24Å; T507-S510 PolarHBondContact O-OG 3.43Å
508	E	92.5	Very high	93.9	Very high	61 Å²	61	40.8 Å²	40.8	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-68.9	-48	177.9	-64.9	-49.7	123.9	0	0	112.5	R504 V505 S510 K511	R504-E508 PolarHBondContact O-N 3.1Å; V505-E508 PolarHBondContact O-N 3.3Å; E508-S510 PolarHBondContact O-N 2.79Å; E508-K511 WeakPolarHBondContact O-CB 3.4Å; E508-K511 PolarHBondContact O-N 3.02Å; E508-K511 VanDerWaalsContact O-N 3.08Å; E508-K511 WeakPolarHBondContact OE1-CE 3.42Å; E508-K511 IonicContact OE1-NZ 3.51Å; E508-K511 PolarHBondContact OE1-NZ 2.9Å; E508-K511 WeakPolarHBondContact OE2-CE 3.27Å; E508-K511 IonicContact OE2-NZ 3.5Å; E508-K511 PolarHBondContact OE2-NZ 3.48Å
509	V	95.2	Very high	94.3	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-34.6	177.6	174.4	0	0	0	0	111.1	A491 V505 K511 V512 L515 L518 L568 I570 L582	A491-V509 HydrophobicContact CB-CG1 3.78Å; V505-V509 HydrophobicContact CG1-CG2 4.13Å; V505-V509 WeakPolarHBondContact O-CB 3.35Å; V505-V509 VanDerWaalsContact O-CG2 3.25Å; V505-V509 WeakPolarHBondContact O-CG2 3.43Å; V505-V509 PolarHBondContact O-N 2.85Å; V509-K511 PolarHBondContact O-N 2.64Å; V509-K511 VanDerWaalsContact O-N 3.13Å; V509-V512 WeakPolarHBondContact O-CB 3.48Å; V509-V512 VanDerWaalsContact O-CG2 3.3Å; V509-V512 WeakPolarHBondContact O-CG2 3.31Å; V509-V512 PolarHBondContact O-N 2.96Å; V509-V512 VanDerWaalsContact O-N 3.15Å; V509-L515 HydrophobicContact CG1-CD1 4.07Å; V509-L515 HydrophobicContact CG1-CD2 4.04Å; V509-L518 HydrophobicContact CG1-CD1 4.37Å; V509-L568 HydrophobicContact CG1-CD2 4.41Å; V509-I570 HydrophobicContact CG2-CD1 4.03Å; V509-L582 HydrophobicContact CG2-CD1 3.94Å
510	S	95.4	Very high	94.7	Very high	31 Å²	31	35.2 Å²	35.2	22%	0.217	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.2	178.1	78	0	0	0	0	116.1	I506 T507 E508 I538	I506-S510 WeakPolarHBondContact O-CB 3.35Å; I506-S510 PolarHBondContact O-N 3.5Å; I506-S510 PolarHBondContact O-OG 3.39Å; T507-S510 PolarHBondContact O-OG 3.43Å; E508-S510 PolarHBondContact O-N 2.79Å; S510-I538 VanDerWaalsContact CB-CG2 3.43Å; S510-I538 WeakPolarHBondContact OG-CG2 3.49Å
511	K	94.6	Very high	95	Very high	109 Å²	109	29.2 Å²	29.2	47%	0.474	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-19.2	175.2	-60.3	173.6	-169.6	173.3	0	112.4	E508 V509 P513 S579	E508-K511 WeakPolarHBondContact O-CB 3.4Å; E508-K511 PolarHBondContact O-N 3.02Å; E508-K511 VanDerWaalsContact O-N 3.08Å; E508-K511 WeakPolarHBondContact OE1-CE 3.42Å; E508-K511 IonicContact OE1-NZ 3.51Å; E508-K511 PolarHBondContact OE1-NZ 2.9Å; E508-K511 WeakPolarHBondContact OE2-CE 3.27Å; E508-K511 IonicContact OE2-NZ 3.5Å; E508-K511 PolarHBondContact OE2-NZ 3.48Å; V509-K511 PolarHBondContact O-N 2.64Å; V509-K511 VanDerWaalsContact O-N 3.13Å; K511-P513 WeakPolarHBondContact O-CD 3.47Å; K511-S579 PolarHBondContact O-OG 3.33Å
512	V	95.1	Very high	95.3	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.036	15%	0.153	C	C	.	.			trans	-69.1	122.1	-173.8	-174.8	0	0	0	0	110.6	F489 V509 S514 L515 S579 L582 Q583	F489-V512 HydrophobicContact CE1-CG1 3.68Å; F489-V512 HydrophobicContact CZ-CB 4.15Å; F489-V512 HydrophobicContact CZ-CG1 3.74Å; V509-V512 WeakPolarHBondContact O-CB 3.48Å; V509-V512 VanDerWaalsContact O-CG2 3.3Å; V509-V512 WeakPolarHBondContact O-CG2 3.31Å; V509-V512 PolarHBondContact O-N 2.96Å; V509-V512 VanDerWaalsContact O-N 3.15Å; V512-S514 VanDerWaalsContact C-N 3.28Å; V512-S514 PolarHBondContact O-N 3.44Å; V512-L515 HydrophobicContact CB-CB 4.44Å; V512-L515 WeakPolarHBondContact O-CB 3.36Å; V512-L515 PolarHBondContact O-N 3.5Å; V512-L515 VanDerWaalsContact O-N 3.11Å; V512-S579 WeakPolarHBondContact CA-OG 3.35Å; V512-L582 HydrophobicContact CG1-CB 4.33Å; V512-L582 HydrophobicContact CG2-CB 3.5Å; V512-L582 HydrophobicContact CG2-CD1 3.63Å; V512-L582 HydrophobicContact CG2-CG 4.22Å; V512-Q583 HydrophobicContact CG1-CB 4.18Å
513	P	93.3	Very high	95.4	Very high	108 Å²	108	28.9 Å²	28.9	70%	0.701	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.9	-175.9	-28.3	35.7	0	0	0	114.9	K511	K511-P513 WeakPolarHBondContact O-CD 3.47Å
514	S	95.1	Very high	95.3	Very high	20 Å²	20	27.1 Å²	27.1	14%	0.14	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	7	-179.7	-67	0	0	0	0	115.1	G488 F489 V512 S516 Q583 Y586	G488-S514 CarbonylContact C-O 3.6Å; G488-S514 WeakPolarHBondContact CA-O 3.39Å; F489-S514 WeakPolarHBondContact CD1-O 3.38Å; F489-S514 PolarHBondContact N-O 3.37Å; V512-S514 VanDerWaalsContact C-N 3.28Å; V512-S514 PolarHBondContact O-N 3.44Å; S514-S516 PolarHBondContact O-N 3.14Å; S514-Q583 VanDerWaalsContact N-OE1 3.14Å; S514-Q583 PolarHBondContact OG-NE2 3.16Å; S514-Q583 PolarHBondContact OG-OE1 3.09Å; S514-Y586 VanDerWaalsContact CB-CE1 3.49Å; S514-Y586 WeakPolarHBondContact OG-CE1 3.13Å
515	L	96.4	Very high	95.4	Very high	11 Å²	11	26.3 Å²	26.3	6%	0.058	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.1	172.3	-177.4	71.1	0	0	0	110.1	F489 A491 V509 V512 K517 V540	F489-L515 HydrophobicContact CD2-CD1 3.98Å; F489-L515 HydrophobicContact CE2-CB 4.42Å; F489-L515 HydrophobicContact CE2-CD1 3.52Å; F489-L515 HydrophobicContact CZ-CB 4.13Å; F489-L515 HydrophobicContact CZ-CD1 4.08Å; A491-L515 HydrophobicContact CB-CD1 3.63Å; V509-L515 HydrophobicContact CG1-CD1 4.07Å; V509-L515 HydrophobicContact CG1-CD2 4.04Å; V512-L515 HydrophobicContact CB-CB 4.44Å; V512-L515 WeakPolarHBondContact O-CB 3.36Å; V512-L515 PolarHBondContact O-N 3.5Å; V512-L515 VanDerWaalsContact O-N 3.11Å; L515-K517 WeakPolarHBondContact CD1-O 3.3Å; L515-V540 HydrophobicContact CB-CG1 4.43Å; L515-V540 HydrophobicContact CD2-CB 4.46Å; L515-V540 HydrophobicContact CD2-CG1 4.16Å; L515-V540 HydrophobicContact CD2-CG2 3.57Å; L515-V540 HydrophobicContact CG-CG1 4.14Å; L515-V540 HydrophobicContact CG-CG2 4.1Å; L515-V540 VanDerWaalsContact O-CG1 3.22Å; L515-V540 WeakPolarHBondContact O-CG1 3.4Å
516	S	95.5	Very high	95.4	Very high	47 Å²	47	33.3 Å²	33.3	33%	0.329	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-34.5	178.8	-56.9	0	0	0	0	112.7	Q487 G488 F489 S514 P541	Q487-S516 PolarHBondContact O-OG 3.32Å; G488-S516 WeakPolarHBondContact CA-OG 3.29Å; F489-S516 PolarHBondContact O-N 3.13Å; S514-S516 PolarHBondContact O-N 3.14Å; S516-P541 WeakPolarHBondContact O-CD 3.25Å
517	K	95.9	Very high	95.3	Very high	22 Å²	22	38.1 Å²	38.1	10%	0.096	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	150.1	-177.4	-169.1	178.5	-61.7	178.8	0	111	T490 A491 L515 P541 E561 E563	T490-K517 WeakPolarHBondContact CA-O 3.43Å; T490-K517 HydrophobicContact CG2-CB 4.22Å; A491-K517 PolarHBondContact N-O 3.08Å; L515-K517 WeakPolarHBondContact CD1-O 3.3Å; K517-P541 HydrophobicContact CG-CB 4.38Å; K517-P541 WeakPolarHBondContact CG-O 3.49Å; K517-E561 HydrophobicContact CD-CB 4.26Å; K517-E561 VanDerWaalsContact CD-O 3.28Å; K517-E561 WeakPolarHBondContact CD-O 3.35Å; K517-E561 WeakPolarHBondContact CE-O 3.29Å; K517-E561 PolarHBondContact NZ-O 3.48Å; K517-E563 WeakPolarHBondContact CE-OE2 3.28Å; K517-E563 IonicContact NZ-OE1 2.69Å; K517-E563 PolarHBondContact NZ-OE1 3.39Å; K517-E563 IonicContact NZ-OE2 3.48Å; K517-E563 PolarHBondContact NZ-OE2 2.66Å
518	L	97.4	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.5	172.7	-163.1	151.2	0	0	0	110.6	A491 V493 I506 V509 V520 I538 V540 P541 L542 K543	A491-L518 HydrophobicContact CB-CG 4.31Å; V493-L518 HydrophobicContact CG2-CD2 4.29Å; I506-L518 HydrophobicContact CB-CD1 4.28Å; I506-L518 HydrophobicContact CD1-CD2 4.38Å; I506-L518 HydrophobicContact CG1-CD1 4Å; I506-L518 HydrophobicContact CG1-CD2 3.96Å; I506-L518 HydrophobicContact CG2-CD1 4.12Å; V509-L518 HydrophobicContact CG1-CD1 4.37Å; L518-V520 HydrophobicContact CD2-CG2 3.48Å; L518-V520 VanDerWaalsContact CD2-CG2 3.48Å; L518-I538 HydrophobicContact CB-CD1 4.33Å; L518-I538 HydrophobicContact CD1-CD1 4.38Å; L518-V540 HydrophobicContact CB-CG2 4.43Å; L518-P541 PolarHBondContact N-O 3Å; L518-L542 HydrophobicContact CD2-CD1 4.11Å; L518-L542 HydrophobicContact CD2-CG 4.16Å; L518-L542 CarbonylContact O-C 3.58Å; L518-L542 WeakPolarHBondContact O-CA 3.5Å; L518-K543 PolarHBondContact O-N 2.86Å
519	L	97.8	Very high	95.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.2	179.5	-178.4	63.5	0	0	0	109.6	T490 A491 I492 V493 K543 V545 Y559 E561 I562	T490-L519 HydrophobicContact CG2-CB 4.48Å; A491-L519 PolarHBondContact O-N 2.99Å; I492-L519 WeakPolarHBondContact CA-O 3.3Å; I492-L519 HydrophobicContact CG1-CB 4.42Å; I492-L519 HydrophobicContact CG1-CD2 4.34Å; V493-L519 PolarHBondContact N-O 3.12Å; L519-K543 CarbonylContact C-O 3.58Å; L519-K543 WeakPolarHBondContact CA-O 3.48Å; L519-K543 HydrophobicContact CD1-CB 3.92Å; L519-K543 HydrophobicContact CD1-CG 3.83Å; L519-V545 HydrophobicContact CD1-CB 4.43Å; L519-V545 HydrophobicContact CD1-CG2 3.69Å; L519-Y559 HydrophobicContact CD2-CD2 3.57Å; L519-Y559 HydrophobicContact CD2-CE2 4.33Å; L519-Y559 HydrophobicContact CD2-CG 3.91Å; L519-E561 HydrophobicContact CD1-CB 4.48Å; L519-I562 HydrophobicContact CD2-CD1 4.47Å; L519-I562 HydrophobicContact CD2-CG1 4.13Å
520	V	97.8	Very high	95.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.9	174.9	-176.4	0	0	0	0	109.1	V493 T495 L502 I506 L518 W522 W535 K543 V544 V545	V493-V520 WeakPolarHBondContact O-CA 3.49Å; T495-V520 HydrophobicContact CG2-CG1 3.78Å; L502-V520 HydrophobicContact CD1-CG1 4.15Å; L502-V520 HydrophobicContact CD1-CG2 4.47Å; L502-V520 HydrophobicContact CD2-CG1 4.15Å; I506-V520 HydrophobicContact CD1-CG2 4.06Å; L518-V520 HydrophobicContact CD2-CG2 3.48Å; L518-V520 VanDerWaalsContact CD2-CG2 3.48Å; V520-W522 PolarHBondContact O-N 3.21Å; V520-W535 HydrophobicContact CB-CH2 4.42Å; V520-W535 HydrophobicContact CB-CZ3 4.48Å; V520-W535 HydrophobicContact CG1-CH2 4.12Å; V520-W535 HydrophobicContact CG1-CZ3 4.41Å; V520-W535 HydrophobicContact CG2-CH2 4.36Å; V520-W535 HydrophobicContact CG2-CZ3 3.94Å; V520-K543 PolarHBondContact N-O 3.2Å; V520-V544 HydrophobicContact CB-CG2 4.33Å; V520-V544 WeakPolarHBondContact O-CA 3.49Å; V520-V545 PolarHBondContact O-N 2.84Å
521	V	97.4	Very high	95.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	99.8	174.4	-176.9	0	0	0	0	107.5	I492 V493 L494 T495 N523 T547 N554 Y559	I492-V521 HydrophobicContact CG2-CG2 3.77Å; V493-V521 PolarHBondContact O-N 2.89Å; L494-V521 HydrophobicContact CD1-CB 3.75Å; L494-V521 HydrophobicContact CD1-CG1 3.49Å; L494-V521 VanDerWaalsContact CD1-CG1 3.49Å; T495-V521 PolarHBondContact N-O 3.34Å; V521-N523 PolarHBondContact O-N 3.49Å; V521-T547 HydrophobicContact CG1-CG2 3.4Å; V521-T547 VanDerWaalsContact CG1-CG2 3.4Å; V521-N554 HydrophobicContact CG1-CB 3.93Å; V521-Y559 HydrophobicContact CG2-CE2 3.75Å
522	W	96.9	Very high	94.8	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.027	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	103.5	-176.5	-175.4	-88.1	0	0	0	110.3	T495 V499 V520 N524 K527 N528 P529 V544 V545 R546 T547	T495-W522 HydrophobicContact CG2-CD2 4.47Å; T495-W522 HydrophobicContact CG2-CE3 3.71Å; T495-W522 HydrophobicContact CG2-CZ3 4.14Å; V499-W522 HydrophobicContact CG2-CH2 3.76Å; V499-W522 HydrophobicContact CG2-CZ3 4.15Å; V520-W522 PolarHBondContact O-N 3.21Å; W522-N524 VanDerWaalsContact CD1-O 3.26Å; W522-N524 PolarHBondContact NE1-O 3.1Å; W522-K527 HydrophobicContact CZ2-CB 4.35Å; W522-K527 PolarHBondContact NE1-O 3.36Å; W522-N528 WeakPolarHBondContact CZ2-O 3.34Å; W522-P529 HydrophobicContact CB-CG 4.4Å; W522-P529 HydrophobicContact CD2-CB 4.1Å; W522-P529 HydrophobicContact CD2-CG 3.83Å; W522-P529 HydrophobicContact CE3-CB 4.2Å; W522-P529 HydrophobicContact CE3-CG 4.39Å; W522-P529 HydrophobicContact CG-CG 3.8Å; W522-V544 HydrophobicContact CB-CG1 3.96Å; W522-V545 PolarHBondContact N-O 3.43Å; W522-R546 HydrophobicContact CB-CG 4.49Å; W522-T547 PolarHBondContact O-N 3.04Å; W522-T547 VanDerWaalsContact O-N 3.13Å; W522-T547 PolarHBondContact O-OG1 3.24Å
523	N	95.1	Very high	94.7	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.011	29%	0.287	C	S	.	.			trans	-93.7	1.8	-168.5	-134.9	19.9	0	0	0	114.7	L494 T495 Y496 V521 Q525 T547 E549 N550 K551 N554	L494-N523 HydrophobicContact CD1-CB 4Å; T495-N523 WeakPolarHBondContact O-CB 3.35Å; T495-N523 PolarHBondContact O-N 3.47Å; Y496-N523 HydrophobicContact CD2-CB 4.49Å; V521-N523 PolarHBondContact O-N 3.49Å; N523-Q525 PolarHBondContact O-NE2 2.81Å; N523-Q525 PolarHBondContact O-OE1 3.23Å; N523-Q525 VanDerWaalsContact O-OE1 3.13Å; N523-T547 WeakPolarHBondContact CA-OG1 3.48Å; N523-T547 PolarHBondContact OD1-OG1 3.3Å; N523-E549 PolarHBondContact OD1-O 3.26Å; N523-N550 PolarHBondContact ND2-OD1 3.19Å; N523-N550 WeakPolarHBondContact O-CB 3.49Å; N523-K551 PolarHBondContact ND2-N 3.43Å; N523-K551 PolarHBondContact ND2-O 2.89Å; N523-K551 PolarHBondContact OD1-N 3.03Å; N523-N554 PolarHBondContact OD1-ND2 2.92Å
524	N	94.4	Very high	94.7	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	28%	0.281	C	S	.	.			trans	-101.4	113.1	-178.7	-170.5	-34.8	0	0	0	111	Y496 W522 N526 K527	Y496-N524 HydrophobicContact CD2-CB 4.02Å; Y496-N524 HydrophobicContact CE2-CB 4.13Å; W522-N524 VanDerWaalsContact CD1-O 3.26Å; W522-N524 PolarHBondContact NE1-O 3.1Å; N524-N526 PolarHBondContact OD1-N 2.96Å; N524-K527 PolarHBondContact OD1-N 2.83Å
525	Q	94.2	Very high	94.7	Very high	66 Å²	66	52.4 Å²	52.4	31%	0.308	28%	0.279	S	S	.	.	S	Bend	trans	-80.7	-26.3	-178.8	-66.2	65.1	41.7	0	0	112.2	N523 T547 A548	N523-Q525 PolarHBondContact O-NE2 2.81Å; N523-Q525 PolarHBondContact O-OE1 3.23Å; N523-Q525 VanDerWaalsContact O-OE1 3.13Å; Q525-T547 PolarHBondContact NE2-O 3.49Å; Q525-T547 VanDerWaalsContact NE2-O 3.15Å; Q525-T547 PolarHBondContact NE2-OG1 3.5Å; Q525-A548 WeakPolarHBondContact CG-O 3.46Å
526	N	93.8	Very high	94.6	Very high	148 Å²	148	53.1 Å²	53.1	79%	0.791	28%	0.284	S	S	*	.	S	Bend	trans	-81	-23.4	-176	-62	-39.5	0	0	0	112.9	N524	N524-N526 PolarHBondContact OD1-N 2.96Å
527	K	92.9	Very high	94.4	Very high	102 Å²	102	60.8 Å²	60.8	44%	0.443	31%	0.312	S	S	.	.	S	Bend	trans	-116.2	131.7	178	-66.9	177.3	174.5	171.1	0	109.8	D497 W522 N524	D497-K527 VanDerWaalsContact OD1-CD 3.28Å; D497-K527 WeakPolarHBondContact OD1-CD 3.47Å; D497-K527 IonicContact OD1-NZ 2.64Å; D497-K527 PolarHBondContact OD1-NZ 3.35Å; D497-K527 IonicContact OD2-NZ 2.67Å; D497-K527 PolarHBondContact OD2-NZ 3.46Å; W522-K527 HydrophobicContact CZ2-CB 4.35Å; W522-K527 PolarHBondContact NE1-O 3.36Å; N524-K527 PolarHBondContact OD1-N 2.83Å
528	N	92.7	Very high	94.4	Very high	116 Å²	116	61.5 Å²	61.5	62%	0.62	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-69.6	151.3	168.9	-69.7	-43.2	0	0	0	109.9	W522 R546	W522-N528 WeakPolarHBondContact CZ2-O 3.34Å; N528-R546 VanDerWaalsContact OD1-CZ 3.22Å; N528-R546 PolarHBondContact OD1-NH1 3.29Å; N528-R546 PolarHBondContact OD1-NH2 3.24Å
529	P	94.3	Very high	94.1	Very high	32 Å²	32	73.5 Å²	73.5	21%	0.208	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-54.8	150.4	166.1	-21.1	30.9	0	0	0	111.5	W522 W535 V544 R546	W522-P529 HydrophobicContact CB-CG 4.4Å; W522-P529 HydrophobicContact CD2-CB 4.1Å; W522-P529 HydrophobicContact CD2-CG 3.83Å; W522-P529 HydrophobicContact CE3-CB 4.2Å; W522-P529 HydrophobicContact CE3-CG 4.39Å; W522-P529 HydrophobicContact CG-CG 3.8Å; P529-W535 HydrophobicContact CB-CZ2 4.24Å; P529-V544 HydrophobicContact CB-CG1 4.2Å; P529-V544 HydrophobicContact CG-CG1 4.03Å; P529-R546 HydrophobicContact CG-CG 3.99Å
530	P	94.6	Very high	93.9	Very high	26 Å²	26	74.8 Å²	74.8	17%	0.169	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-56.2	152.3	172.2	-23.5	32.8	0	0	0	112.3	V499 F503 L534 W535	V499-P530 HydrophobicContact CG1-CG 3.65Å; V499-P530 HydrophobicContact CG2-CG 4.32Å; F503-P530 HydrophobicContact CZ-CB 4.22Å; F503-P530 HydrophobicContact CZ-CG 4.03Å; P530-L534 HydrophobicContact CB-CB 4.31Å; P530-L534 HydrophobicContact CB-CD1 4.15Å; P530-W535 HydrophobicContact CG-CZ2 4.49Å; P530-W535 PolarHBondContact O-NE1 3.23Å
531	E	92.5	Very high	93.8	Very high	146 Å²	146	78.7 Å²	78.7	68%	0.682	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-58.4	141.9	173	-63.2	-173	170.4	0	0	111.5	S533 L534 W535	E531-S533 PolarHBondContact O-N 3.21Å; E531-L534 WeakPolarHBondContact O-CB 3.47Å; E531-L534 PolarHBondContact O-N 3.33Å; E531-W535 VanDerWaalsContact O-CD1 3.29Å
532	D	88.6	Confident	93.7	Very high	150 Å²	150	81.2 Å²	81.2	80%	0.802	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-49.5	-28.7	-176.4	-64.2	-3.2	0	0	0	114.2	L534 W535	D532-L534 VanDerWaalsContact C-N 3.3Å; D532-L534 PolarHBondContact O-N 3.1Å; D532-W535 PolarHBondContact O-N 3.46Å
533	S	91.3	Very high	93.7	Very high	90 Å²	90	85.3 Å²	85.3	63%	0.629	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-68.3	-22.6	178.1	59.4	0	0	0	0	114.7	E531	E531-S533 PolarHBondContact O-N 3.21Å
534	L	94	Very high	93.7	Very high	110 Å²	110	87 Å²	87	58%	0.576	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-88.5	-16.4	-179.1	-63.3	173.9	0	0	0	113.1	F503 P530 E531 D532	F503-L534 HydrophobicContact CE2-CB 4.48Å; F503-L534 WeakPolarHBondContact CE2-O 3.34Å; P530-L534 HydrophobicContact CB-CB 4.31Å; P530-L534 HydrophobicContact CB-CD1 4.15Å; E531-L534 WeakPolarHBondContact O-CB 3.47Å; E531-L534 PolarHBondContact O-N 3.33Å; D532-L534 VanDerWaalsContact C-N 3.3Å; D532-L534 PolarHBondContact O-N 3.1Å
535	W	94.8	Very high	93.8	Very high	21 Å²	21	88.1 Å²	88.1	8%	0.08	44%	0.443	C	S	.	.	S	Bend	trans	-72.6	149	-176.5	-70	78.6	0	0	0	112.3	L502 F503 I506 V520 P529 P530 E531 D532 K537 L542 V544	L502-W535 HydrophobicContact CD2-CH2 4.09Å; L502-W535 HydrophobicContact CD2-CZ3 4.06Å; F503-W535 HydrophobicContact CD1-CE3 4.23Å; F503-W535 HydrophobicContact CD1-CZ3 4.42Å; F503-W535 AromaticContact CE1-CD2 3.79Å; F503-W535 HydrophobicContact CE1-CD2 3.79Å; F503-W535 AromaticContact CE1-CE3 3.56Å; F503-W535 HydrophobicContact CE1-CE3 3.56Å; F503-W535 HydrophobicContact CE1-CG 4.34Å; F503-W535 HydrophobicContact CE1-CH2 4.33Å; F503-W535 AromaticContact CE1-CZ3 3.83Å; F503-W535 HydrophobicContact CE1-CZ3 3.83Å; F503-W535 HydrophobicContact CZ-CD2 4.15Å; F503-W535 HydrophobicContact CZ-CE3 4.36Å; F503-W535 HydrophobicContact CZ-CG 4.3Å; I506-W535 HydrophobicContact CD1-CE3 4Å; I506-W535 HydrophobicContact CD1-CZ3 3.74Å; V520-W535 HydrophobicContact CB-CH2 4.42Å; V520-W535 HydrophobicContact CB-CZ3 4.48Å; V520-W535 HydrophobicContact CG1-CH2 4.12Å; V520-W535 HydrophobicContact CG1-CZ3 4.41Å; V520-W535 HydrophobicContact CG2-CH2 4.36Å; V520-W535 HydrophobicContact CG2-CZ3 3.94Å; P529-W535 HydrophobicContact CB-CZ2 4.24Å; P530-W535 HydrophobicContact CG-CZ2 4.49Å; P530-W535 PolarHBondContact O-NE1 3.23Å; E531-W535 VanDerWaalsContact O-CD1 3.29Å; D532-W535 PolarHBondContact O-N 3.46Å; W535-K537 PolarHBondContact O-N 3.09Å; W535-L542 HydrophobicContact CD2-CD2 4.45Å; W535-L542 HydrophobicContact CE3-CD1 4.01Å; W535-L542 HydrophobicContact CE3-CD2 4.02Å; W535-L542 HydrophobicContact CZ3-CD2 4.31Å; W535-V544 HydrophobicContact CH2-CG2 3.58Å; W535-V544 HydrophobicContact CZ2-CG1 4.5Å; W535-V544 HydrophobicContact CZ2-CG2 3.54Å; W535-V544 HydrophobicContact CZ3-CG2 4.18Å
536	P	94.2	Very high	93.8	Very high	27 Å²	27	91.2 Å²	91.2	18%	0.175	45%	0.452	C	S	.	.			trans	-56.4	130.1	175	-25.7	34.7	0	0	0	112.4	F503 I506 I538	F503-P536 HydrophobicContact CB-CG 3.81Å; F503-P536 HydrophobicContact CD1-CG 4.23Å; F503-P536 HydrophobicContact CD2-CG 4.46Å; F503-P536 HydrophobicContact CG-CG 3.94Å; I506-P536 HydrophobicContact CB-CG 4.4Å; I506-P536 HydrophobicContact CG2-CB 4.01Å; I506-P536 HydrophobicContact CG2-CG 3.99Å; P536-I538 HydrophobicContact CB-CG2 4.16Å; P536-I538 PolarHBondContact O-N 3.44Å
537	K	92.4	Very high	93.8	Very high	208 Å²	208	84.9 Å²	84.9	90%	0.904	42%	0.419	S	S	*	.			trans	-78.9	91.1	178.2	-65.3	-173.7	-178.1	179.9	0	110.6	W535	W535-K537 PolarHBondContact O-N 3.09Å
538	I	94.6	Very high	93.9	Very high	36 Å²	36	84.6 Å²	84.6	19%	0.185	44%	0.435	C	S	.	.			trans	-100.7	164.9	-179.1	67.2	175.5	0	0	0	112.1	I506 S510 L518 P536 V540 L542	I506-I538 HydrophobicContact CG2-CD1 4.19Å; I506-I538 HydrophobicContact CG2-CG2 4.02Å; S510-I538 VanDerWaalsContact CB-CG2 3.43Å; S510-I538 WeakPolarHBondContact OG-CG2 3.49Å; L518-I538 HydrophobicContact CB-CD1 4.33Å; L518-I538 HydrophobicContact CD1-CD1 4.38Å; P536-I538 HydrophobicContact CB-CG2 4.16Å; P536-I538 PolarHBondContact O-N 3.44Å; I538-V540 HydrophobicContact CD1-CG2 3.56Å; I538-V540 HydrophobicContact CG1-CG2 4.13Å; I538-L542 HydrophobicContact CD1-CB 4.11Å; I538-L542 HydrophobicContact CD1-CD1 3.98Å
539	R	91.8	Very high	93.9	Very high	252 Å²	252	84.3 Å²	84.3	95%	0.951	43%	0.43	S	S	*	.	S	Bend	trans	-84.4	-19.8	-177.1	-63.2	-178.3	-175.7	171.9	2.7	114.2
540	V	93.2	Very high	93.9	Very high	27 Å²	27	85.4 Å²	85.4	16%	0.164	43%	0.434	C	S	.	.	S	Bend	trans	-95.9	157.5	-179.2	-58.1	0	0	0	0	110.7	L515 L518 I538 L542	L515-V540 HydrophobicContact CB-CG1 4.43Å; L515-V540 HydrophobicContact CD2-CB 4.46Å; L515-V540 HydrophobicContact CD2-CG1 4.16Å; L515-V540 HydrophobicContact CD2-CG2 3.57Å; L515-V540 HydrophobicContact CG-CG1 4.14Å; L515-V540 HydrophobicContact CG-CG2 4.1Å; L515-V540 VanDerWaalsContact O-CG1 3.22Å; L515-V540 WeakPolarHBondContact O-CG1 3.4Å; L518-V540 HydrophobicContact CB-CG2 4.43Å; I538-V540 HydrophobicContact CD1-CG2 3.56Å; I538-V540 HydrophobicContact CG1-CG2 4.13Å; V540-L542 PolarHBondContact O-N 2.88Å
541	P	95.4	Very high	93.8	Very high	82 Å²	82	86.8 Å²	86.8	53%	0.532	44%	0.438	S	S	.	.			trans	-61.6	127.2	172	-20.1	32.9	0	0	0	111.1	S516 K517 L518	S516-P541 WeakPolarHBondContact O-CD 3.25Å; K517-P541 HydrophobicContact CG-CB 4.38Å; K517-P541 WeakPolarHBondContact CG-O 3.49Å; L518-P541 PolarHBondContact N-O 3Å
542	L	96.2	Very high	93.9	Very high	53 Å²	53	81.1 Å²	81.1	28%	0.277	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.2	170.7	-171.7	150.9	0	0	0	109.2	I506 L518 W535 I538 V540 V544	I506-L542 HydrophobicContact CD1-CD1 4.19Å; I506-L542 HydrophobicContact CG2-CD1 4.07Å; L518-L542 HydrophobicContact CD2-CD1 4.11Å; L518-L542 HydrophobicContact CD2-CG 4.16Å; L518-L542 CarbonylContact O-C 3.58Å; L518-L542 WeakPolarHBondContact O-CA 3.5Å; W535-L542 HydrophobicContact CD2-CD2 4.45Å; W535-L542 HydrophobicContact CE3-CD1 4.01Å; W535-L542 HydrophobicContact CE3-CD2 4.02Å; W535-L542 HydrophobicContact CZ3-CD2 4.31Å; I538-L542 HydrophobicContact CD1-CB 4.11Å; I538-L542 HydrophobicContact CD1-CD1 3.98Å; V540-L542 PolarHBondContact O-N 2.88Å; L542-V544 HydrophobicContact CD2-CG2 3.77Å
543	K	96.1	Very high	94.1	Very high	93 Å²	93	74.5 Å²	74.5	40%	0.404	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.5	173.5	179.9	73.6	-175.5	-150.9	0	109.9	L518 L519 V520 V545 E561	L518-K543 PolarHBondContact O-N 2.86Å; L519-K543 CarbonylContact C-O 3.58Å; L519-K543 WeakPolarHBondContact CA-O 3.48Å; L519-K543 HydrophobicContact CD1-CB 3.92Å; L519-K543 HydrophobicContact CD1-CG 3.83Å; V520-K543 PolarHBondContact N-O 3.2Å; K543-V545 HydrophobicContact CG-CG2 4.09Å; K543-E561 HydrophobicContact CD-CG 4.49Å; K543-E561 WeakPolarHBondContact CE-OE1 3.48Å; K543-E561 HydrophobicContact CG-CG 4.03Å; K543-E561 IonicContact NZ-OE1 3.58Å; K543-E561 PolarHBondContact NZ-OE1 3.36Å
544	V	96.6	Very high	94.3	Very high	39 Å²	39	71.7 Å²	71.7	24%	0.236	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.1	168.5	-172.2	0	0	0	0	109.1	V520 W522 P529 W535 L542	V520-V544 HydrophobicContact CB-CG2 4.33Å; V520-V544 WeakPolarHBondContact O-CA 3.49Å; W522-V544 HydrophobicContact CB-CG1 3.96Å; P529-V544 HydrophobicContact CB-CG1 4.2Å; P529-V544 HydrophobicContact CG-CG1 4.03Å; W535-V544 HydrophobicContact CH2-CG2 3.58Å; W535-V544 HydrophobicContact CZ2-CG1 4.5Å; W535-V544 HydrophobicContact CZ2-CG2 3.54Å; W535-V544 HydrophobicContact CZ3-CG2 4.18Å; L542-V544 HydrophobicContact CD2-CG2 3.77Å
545	V	95.3	Very high	94.3	Very high	27 Å²	27	66.6 Å²	66.6	16%	0.164	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.8	173.8	175.3	0	0	0	0	108.6	L519 V520 W522 K543 Y559	L519-V545 HydrophobicContact CD1-CB 4.43Å; L519-V545 HydrophobicContact CD1-CG2 3.69Å; V520-V545 PolarHBondContact O-N 2.84Å; W522-V545 PolarHBondContact N-O 3.43Å; K543-V545 HydrophobicContact CG-CG2 4.09Å; V545-Y559 HydrophobicContact CB-CE1 4.41Å; V545-Y559 HydrophobicContact CG1-CD1 4.08Å; V545-Y559 HydrophobicContact CG1-CE1 3.61Å
546	R	95.1	Very high	94.4	Very high	130 Å²	130	65.6 Å²	65.6	49%	0.491	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.1	179.3	-63.5	179.9	65.7	159.7	6.6	109.9	W522 N528 P529	W522-R546 HydrophobicContact CB-CG 4.49Å; N528-R546 VanDerWaalsContact OD1-CZ 3.22Å; N528-R546 PolarHBondContact OD1-NH1 3.29Å; N528-R546 PolarHBondContact OD1-NH2 3.24Å; P529-R546 HydrophobicContact CG-CG 3.99Å
547	T	94.3	Very high	94.5	Very high	16 Å²	16	68.2 Å²	68.2	10%	0.098	33%	0.333	C	S	.	.			trans	-87.5	150.2	177.7	67.4	0	0	0	0	111.1	V521 W522 N523 Q525 E549 N554	V521-T547 HydrophobicContact CG1-CG2 3.4Å; V521-T547 VanDerWaalsContact CG1-CG2 3.4Å; W522-T547 PolarHBondContact O-N 3.04Å; W522-T547 VanDerWaalsContact O-N 3.13Å; W522-T547 PolarHBondContact O-OG1 3.24Å; N523-T547 WeakPolarHBondContact CA-OG1 3.48Å; N523-T547 PolarHBondContact OD1-OG1 3.3Å; Q525-T547 PolarHBondContact NE2-O 3.49Å; Q525-T547 VanDerWaalsContact NE2-O 3.15Å; Q525-T547 PolarHBondContact NE2-OG1 3.5Å; T547-E549 VanDerWaalsContact C-N 3.33Å; T547-E549 PolarHBondContact OG1-O 3.02Å; T547-E549 VanDerWaalsContact OG1-O 3.11Å; T547-N554 WeakPolarHBondContact CB-ND2 3.37Å; T547-N554 HydrophobicContact CG2-CB 3.83Å; T547-N554 WeakPolarHBondContact CG2-ND2 3.32Å
548	A	93.3	Very high	94.7	Very high	96 Å²	96	59.8 Å²	59.8	79%	0.793	30%	0.3	S	S	*	.	S	Bend	trans	-71.2	-29.1	177.4	0	0	0	0	0	112.8	Q525	Q525-A548 WeakPolarHBondContact CG-O 3.46Å
549	E	93.3	Very high	94.8	Very high	110 Å²	110	59.4 Å²	59.4	51%	0.514	30%	0.296	S	S	.	.	S	Bend	trans	-143.9	148	-175.1	-64.2	175.2	166.6	0	0	109.8	N523 T547 K551 N554	N523-E549 PolarHBondContact OD1-O 3.26Å; T547-E549 VanDerWaalsContact C-N 3.33Å; T547-E549 PolarHBondContact OG1-O 3.02Å; T547-E549 VanDerWaalsContact OG1-O 3.11Å; E549-K551 PolarHBondContact O-N 3.28Å; E549-K551 VanDerWaalsContact O-N 3.14Å; E549-K551 WeakPolarHBondContact OE2-CE 3.31Å; E549-K551 IonicContact OE2-NZ 2.79Å; E549-K551 PolarHBondContact OE2-NZ 3.13Å; E549-N554 PolarHBondContact O-ND2 3.01Å
550	N	93.8	Very high	94.9	Very high	54 Å²	54	54.9 Å²	54.9	29%	0.289	29%	0.291	S	S	.	.			trans	-73.7	98.7	174.9	-179.4	26	0	0	0	110.5	Y496 N523 M657	Y496-N550 HydrophobicContact CE2-CB 4.33Å; Y496-N550 WeakPolarHBondContact CE2-ND2 3.27Å; N523-N550 PolarHBondContact ND2-OD1 3.19Å; N523-N550 WeakPolarHBondContact O-CB 3.49Å; N550-M657 WeakPolarHBondContact O-CE 3.31Å
551	K	94.3	Very high	94.9	Very high	56 Å²	56	55.7 Å²	55.7	24%	0.243	29%	0.293	C	S	.	.			trans	-133.6	139.5	176.6	-70.9	173.8	168.4	165.7	0	111	N523 E549 S553 N554 D654	N523-K551 PolarHBondContact ND2-N 3.43Å; N523-K551 PolarHBondContact ND2-O 2.89Å; N523-K551 PolarHBondContact OD1-N 3.03Å; E549-K551 PolarHBondContact O-N 3.28Å; E549-K551 VanDerWaalsContact O-N 3.14Å; E549-K551 WeakPolarHBondContact OE2-CE 3.31Å; E549-K551 IonicContact OE2-NZ 2.79Å; E549-K551 PolarHBondContact OE2-NZ 3.13Å; K551-S553 VanDerWaalsContact C-N 3.3Å; K551-S553 PolarHBondContact O-N 3.48Å; K551-N554 PolarHBondContact N-ND2 3.47Å; K551-N554 WeakPolarHBondContact O-CB 3.38Å; K551-N554 PolarHBondContact O-N 2.87Å; K551-N554 PolarHBondContact O-ND2 3.3Å; K551-D654 HydrophobicContact CD-CB 4.37Å; K551-D654 IonicContact NZ-OD2 2.75Å
552	L	93	Very high	94.9	Very high	27 Å²	27	52.4 Å²	52.4	14%	0.141	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-67.7	-33.3	176.7	-61.4	-172	0	0	0	112.2	L494 N554 R555 M657 E660 L696	L494-L552 HydrophobicContact CD2-CD2 4.11Å; L552-N554 PolarHBondContact O-N 3.08Å; L552-R555 WeakPolarHBondContact O-CG 3.36Å; L552-M657 WeakPolarHBondContact CD1-O 3.27Å; L552-M657 HydrophobicContact CD2-CE 4.1Å; L552-M657 HydrophobicContact CG-CE 4.03Å; L552-M657 HydrophobicContact CG-SD 4.29Å; L552-E660 HydrophobicContact CB-CB 4.27Å; L552-E660 HydrophobicContact CB-CG 3.88Å; L552-E660 VanDerWaalsContact CD1-OE2 3.29Å; L552-E660 WeakPolarHBondContact CD1-OE2 3.42Å; L552-L696 HydrophobicContact CD1-CD1 4.24Å; L552-L696 HydrophobicContact CD2-CD1 4.44Å
553	S	93.6	Very high	94.6	Very high	11 Å²	11	56 Å²	56	8%	0.077	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-62.6	-18.8	178.1	60.5	0	0	0	0	114.5	K551 R555 F556 D654	K551-S553 VanDerWaalsContact C-N 3.3Å; K551-S553 PolarHBondContact O-N 3.48Å; S553-R555 PolarHBondContact O-N 2.7Å; S553-R555 VanDerWaalsContact O-N 3.08Å; S553-F556 PolarHBondContact O-N 2.94Å; S553-D654 VanDerWaalsContact CB-OD1 3.26Å; S553-D654 WeakPolarHBondContact CB-OD1 3.37Å; S553-D654 PolarHBondContact OG-OD1 3.19Å
554	N	95.3	Very high	94.5	Very high	30 Å²	30	52 Å²	52	16%	0.16	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-55.9	-29.2	-179.6	-74.1	-30.2	0	0	0	113	L494 V521 N523 T547 E549 K551 L552 F556 F557 Y559	L494-N554 HydrophobicContact CD1-CB 4.39Å; V521-N554 HydrophobicContact CG1-CB 3.93Å; N523-N554 PolarHBondContact OD1-ND2 2.92Å; T547-N554 WeakPolarHBondContact CB-ND2 3.37Å; T547-N554 HydrophobicContact CG2-CB 3.83Å; T547-N554 WeakPolarHBondContact CG2-ND2 3.32Å; E549-N554 PolarHBondContact O-ND2 3.01Å; K551-N554 PolarHBondContact N-ND2 3.47Å; K551-N554 WeakPolarHBondContact O-CB 3.38Å; K551-N554 PolarHBondContact O-N 2.87Å; K551-N554 PolarHBondContact O-ND2 3.3Å; L552-N554 PolarHBondContact O-N 3.08Å; N554-F556 PolarHBondContact O-N 3.19Å; N554-F557 WeakPolarHBondContact O-CB 3.23Å; N554-F557 PolarHBondContact O-N 2.79Å; N554-Y559 WeakPolarHBondContact O-CE2 3.37Å; N554-Y559 PolarHBondContact O-OH 3.48Å
555	R	94.9	Very high	94.2	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.015	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-66.6	-18.3	176.8	73.7	-177.3	173.2	173	-13.2	114.9	I492 L494 L552 S553 D571 T628 E660	I492-R555 HydrophobicContact CG2-CB 4.26Å; L494-R555 HydrophobicContact CB-CB 4.11Å; L494-R555 HydrophobicContact CD1-CB 4.45Å; L494-R555 HydrophobicContact CD2-CB 4.45Å; L552-R555 WeakPolarHBondContact O-CG 3.36Å; S553-R555 PolarHBondContact O-N 2.7Å; S553-R555 VanDerWaalsContact O-N 3.08Å; R555-D571 IonicContact CZ-OD1 3.65Å; R555-D571 IonicContact NH1-OD1 3.98Å; R555-D571 PolarHBondContact NH1-OD1 3.44Å; R555-D571 IonicContact NH2-OD1 3.78Å; R555-T628 PolarHBondContact NH1-O 2.81Å; R555-T628 PolarHBondContact NH2-OG1 2.63Å; R555-T628 VanDerWaalsContact NH2-OG1 3.08Å; R555-E660 IonicContact CZ-OE1 2.73Å; R555-E660 IonicContact NH2-OE1 2.66Å; R555-E660 PolarHBondContact NH2-OE1 3.44Å
556	F	96.7	Very high	94.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-100.1	5.6	178.8	-53.4	-50.1	0	0	0	113.2	S553 N554 T628 N638 Y641 T642 E660 M664	S553-F556 PolarHBondContact O-N 2.94Å; N554-F556 PolarHBondContact O-N 3.19Å; F556-T628 HydrophobicContact CE1-CG2 4.12Å; F556-T628 HydrophobicContact CZ-CG2 3.93Å; F556-T628 WeakPolarHBondContact CZ-OG1 3.43Å; F556-N638 CarbonylContact O-C 3.53Å; F556-N638 WeakPolarHBondContact O-CA 3.37Å; F556-N638 WeakPolarHBondContact O-CB 3.41Å; F556-N638 PolarHBondContact O-ND2 3.22Å; F556-N638 VanDerWaalsContact O-O 3.09Å; F556-Y641 HydrophobicContact CB-CD1 3.82Å; F556-Y641 HydrophobicContact CB-CD2 4.37Å; F556-Y641 HydrophobicContact CB-CE1 4.39Å; F556-Y641 HydrophobicContact CB-CG 3.84Å; F556-Y641 AromaticContact CD2-CD1 3.96Å; F556-Y641 HydrophobicContact CD2-CD1 3.96Å; F556-Y641 AromaticContact CD2-CD2 3.79Å; F556-Y641 HydrophobicContact CD2-CD2 3.79Å; F556-Y641 AromaticContact CD2-CE1 3.76Å; F556-Y641 HydrophobicContact CD2-CE1 3.76Å; F556-Y641 AromaticContact CD2-CE2 3.54Å; F556-Y641 HydrophobicContact CD2-CE2 3.54Å; F556-Y641 HydrophobicContact CD2-CG 4Å; F556-Y641 AromaticContact CD2-CZ 3.55Å; F556-Y641 HydrophobicContact CE2-CD2 4.3Å; F556-Y641 AromaticContact CE2-CE2 3.76Å; F556-Y641 HydrophobicContact CE2-CE2 3.76Å; F556-Y641 AromaticContact CE2-CZ 3.96Å; F556-Y641 HydrophobicContact CG-CD1 4.31Å; F556-Y641 HydrophobicContact CG-CD2 4.21Å; F556-Y641 HydrophobicContact CG-CE2 4.4Å; F556-Y641 HydrophobicContact CG-CG 4.18Å; F556-T642 PolarHBondContact O-OG1 2.8Å; F556-T642 VanDerWaalsContact O-OG1 3.11Å; F556-E660 HydrophobicContact CE2-CB 3.9Å; F556-E660 HydrophobicContact CE2-CG 3.73Å; F556-E660 HydrophobicContact CZ-CG 4.28Å; F556-M664 HydrophobicContact CB-CE 4.05Å; F556-M664 HydrophobicContact CD1-CE 3.3Å; F556-M664 HydrophobicContact CD2-CE 4.05Å; F556-M664 HydrophobicContact CE1-CE 3.61Å; F556-M664 HydrophobicContact CE2-CB 4.49Å; F556-M664 HydrophobicContact CE2-CE 4.28Å; F556-M664 HydrophobicContact CG-CE 3.54Å; F556-M664 HydrophobicContact CZ-CB 4.26Å; F556-M664 HydrophobicContact CZ-CE 4.09Å
557	F	96.6	Very high	94.3	Very high	82 Å²	82	45.1 Å²	45.1	36%	0.36	24%	0.239	S	C	.	.	S	Bend	trans	-65	138.2	171.6	-169	-92.3	0	0	0	110	N554 Y559 N638 T642	N554-F557 WeakPolarHBondContact O-CB 3.23Å; N554-F557 PolarHBondContact O-N 2.79Å; F557-Y559 VanDerWaalsContact C-N 3.27Å; F557-Y559 HydrophobicContact CB-CD2 4.23Å; F557-Y559 HydrophobicContact CB-CE1 4.23Å; F557-Y559 HydrophobicContact CB-CE2 3.75Å; F557-Y559 AromaticContact CD1-CD1 3.63Å; F557-Y559 HydrophobicContact CD1-CD1 3.63Å; F557-Y559 HydrophobicContact CD1-CD2 4.32Å; F557-Y559 AromaticContact CD1-CE1 3.67Å; F557-Y559 HydrophobicContact CD1-CE1 3.67Å; F557-Y559 HydrophobicContact CD1-CE2 4.39Å; F557-Y559 AromaticContact CD1-CG 3.97Å; F557-Y559 HydrophobicContact CD1-CG 3.97Å; F557-Y559 HydrophobicContact CE1-CD1 4.29Å; F557-Y559 HydrophobicContact CE1-CE1 4.49Å; F557-Y559 HydrophobicContact CG-CE1 4.26Å; F557-Y559 VanDerWaalsContact O-CD2 3.23Å; F557-Y559 WeakPolarHBondContact O-CD2 3.44Å; F557-Y559 PolarHBondContact O-N 2.93Å; F557-N638 PolarHBondContact O-ND2 3.27Å; F557-T642 HydrophobicContact CD2-CG2 3.74Å; F557-T642 HydrophobicContact CE2-CG2 3.92Å
558	P	96	Very high	94.5	Very high	31 Å²	31	44.3 Å²	44.3	20%	0.201	23%	0.234	C	C	.	.			trans	-81.3	76.2	177.1	31.9	-33.6	0	0	0	109.7	N638 T642 Y643	P558-N638 HydrophobicContact CB-CB 3.89Å; P558-T642 VanDerWaalsContact CD-OG1 3.28Å; P558-T642 WeakPolarHBondContact CD-OG1 3.31Å; P558-Y643 HydrophobicContact CG-CD2 4.37Å; P558-Y643 HydrophobicContact CG-CE2 3.53Å
559	Y	96.2	Very high	94.7	Very high	28 Å²	28	39.8 Å²	39.8	11%	0.11	20%	0.196	C	C	.	.			trans	-61.9	139.9	173.5	-60.4	-76.5	0	0	0	111.3	L519 V521 V545 N554 F557 E561 I562	L519-Y559 HydrophobicContact CD2-CD2 3.57Å; L519-Y559 HydrophobicContact CD2-CE2 4.33Å; L519-Y559 HydrophobicContact CD2-CG 3.91Å; V521-Y559 HydrophobicContact CG2-CE2 3.75Å; V545-Y559 HydrophobicContact CB-CE1 4.41Å; V545-Y559 HydrophobicContact CG1-CD1 4.08Å; V545-Y559 HydrophobicContact CG1-CE1 3.61Å; N554-Y559 WeakPolarHBondContact O-CE2 3.37Å; N554-Y559 PolarHBondContact O-OH 3.48Å; F557-Y559 VanDerWaalsContact C-N 3.27Å; F557-Y559 HydrophobicContact CB-CD2 4.23Å; F557-Y559 HydrophobicContact CB-CE1 4.23Å; F557-Y559 HydrophobicContact CB-CE2 3.75Å; F557-Y559 AromaticContact CD1-CD1 3.63Å; F557-Y559 HydrophobicContact CD1-CD1 3.63Å; F557-Y559 HydrophobicContact CD1-CD2 4.32Å; F557-Y559 AromaticContact CD1-CE1 3.67Å; F557-Y559 HydrophobicContact CD1-CE1 3.67Å; F557-Y559 HydrophobicContact CD1-CE2 4.39Å; F557-Y559 AromaticContact CD1-CG 3.97Å; F557-Y559 HydrophobicContact CD1-CG 3.97Å; F557-Y559 HydrophobicContact CE1-CD1 4.29Å; F557-Y559 HydrophobicContact CE1-CE1 4.49Å; F557-Y559 HydrophobicContact CG-CE1 4.26Å; F557-Y559 VanDerWaalsContact O-CD2 3.23Å; F557-Y559 WeakPolarHBondContact O-CD2 3.44Å; F557-Y559 PolarHBondContact O-N 2.93Å; Y559-E561 PolarHBondContact O-N 3.06Å; Y559-E561 VanDerWaalsContact O-N 3.11Å; Y559-I562 HydrophobicContact CD2-CD1 4.23Å; Y559-I562 WeakPolarHBondContact O-CB 3.24Å; Y559-I562 PolarHBondContact O-N 2.93Å
560	D	93.7	Very high	94.8	Very high	157 Å²	157	34.6 Å²	34.6	84%	0.84	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.4	179.1	-66.9	-37.6	0	0	0	112.5	I562	D560-I562 PolarHBondContact O-N 2.93Å
561	E	93.8	Very high	94.8	Very high	44 Å²	44	34.5 Å²	34.5	21%	0.206	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.8	175	-66.8	96.6	158.3	0	0	114.5	K517 L519 K543 Y559 E563	K517-E561 HydrophobicContact CD-CB 4.26Å; K517-E561 VanDerWaalsContact CD-O 3.28Å; K517-E561 WeakPolarHBondContact CD-O 3.35Å; K517-E561 WeakPolarHBondContact CE-O 3.29Å; K517-E561 PolarHBondContact NZ-O 3.48Å; L519-E561 HydrophobicContact CD1-CB 4.48Å; K543-E561 HydrophobicContact CD-CG 4.49Å; K543-E561 WeakPolarHBondContact CE-OE1 3.48Å; K543-E561 HydrophobicContact CG-CG 4.03Å; K543-E561 IonicContact NZ-OE1 3.58Å; K543-E561 PolarHBondContact NZ-OE1 3.36Å; Y559-E561 PolarHBondContact O-N 3.06Å; Y559-E561 VanDerWaalsContact O-N 3.11Å; E561-E563 VanDerWaalsContact C-N 3.34Å; E561-E563 PolarHBondContact O-N 3.07Å
562	I	94.6	Very high	94.7	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.067	16%	0.162	C	C	.	.			trans	-80.4	79.4	178.2	-55	161.9	0	0	0	110.2	I492 L519 Y559 D560 V567 K635	I492-I562 HydrophobicContact CD1-CD1 3.65Å; I492-I562 HydrophobicContact CD1-CG1 4.16Å; L519-I562 HydrophobicContact CD2-CD1 4.47Å; L519-I562 HydrophobicContact CD2-CG1 4.13Å; Y559-I562 HydrophobicContact CD2-CD1 4.23Å; Y559-I562 WeakPolarHBondContact O-CB 3.24Å; Y559-I562 PolarHBondContact O-N 2.93Å; D560-I562 PolarHBondContact O-N 2.93Å; I562-V567 HydrophobicContact CG2-CG2 3.61Å; I562-K635 HydrophobicContact CG2-CB 3.89Å; I562-K635 HydrophobicContact CG2-CD 4.42Å
563	E	91.1	Very high	94.4	Very high	127 Å²	127	33 Å²	33	59%	0.593	17%	0.166	S	C	*	.			trans	-79.4	-36.3	-178.6	-75.7	152.7	-158	0	0	112.8	K517 E561 K635	K517-E563 WeakPolarHBondContact CE-OE2 3.28Å; K517-E563 IonicContact NZ-OE1 2.69Å; K517-E563 PolarHBondContact NZ-OE1 3.39Å; K517-E563 IonicContact NZ-OE2 3.48Å; K517-E563 PolarHBondContact NZ-OE2 2.66Å; E561-E563 VanDerWaalsContact C-N 3.34Å; E561-E563 PolarHBondContact O-N 3.07Å; E563-K635 PolarHBondContact O-NZ 2.86Å
564	T	93.6	Very high	94.1	Very high	10 Å²	10	33.2 Å²	33.2	6%	0.061	17%	0.166	C	C	.	.	S	Bend	trans	-73.3	149.2	-176.7	56.1	0	0	0	0	112.9	Q487 T490 A566 K635	Q487-T564 WeakPolarHBondContact O-CG2 3.02Å; T490-T564 WeakPolarHBondContact CB-OG1 3.32Å; T490-T564 PolarHBondContact N-OG1 3.12Å; T490-T564 PolarHBondContact OG1-OG1 3.44Å; T564-A566 PolarHBondContact OG1-O 3.31Å; T564-K635 VanDerWaalsContact O-CD 3.25Å; T564-K635 WeakPolarHBondContact O-CD 3.29Å
565	E	91.2	Very high	93.5	Very high	50 Å²	50	33.4 Å²	33.4	23%	0.234	17%	0.167	C	C	.	.	S	Bend	trans	-64.1	-39.8	172.3	-73.9	-179.7	170.3	0	0	112.7	W589 H634 K635	E565-W589 HydrophobicContact CB-CH2 4.15Å; E565-H634 CarbonylContact O-C 3.57Å; E565-H634 WeakPolarHBondContact O-CA 3.34Å; E565-H634 PolarHBondContact O-CD2 3.38Å; E565-K635 PolarHBondContact O-N 2.91Å
566	A	94.9	Very high	92.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	137.1	175.9	0	0	0	0	0	112.5	F489 T490 T564 Y586 W589	F489-A566 HydrophobicContact CB-CB 3.53Å; T490-A566 PolarHBondContact N-O 3.23Å; T490-A566 VanDerWaalsContact N-O 3.11Å; T564-A566 PolarHBondContact OG1-O 3.31Å; A566-Y586 HydrophobicContact CB-CD2 4.08Å; A566-Y586 HydrophobicContact CB-CE2 3.69Å; A566-W589 HydrophobicContact CB-CD2 4.12Å; A566-W589 HydrophobicContact CB-CE3 3.68Å; A566-W589 HydrophobicContact CB-CH2 3.74Å; A566-W589 HydrophobicContact CB-CZ2 4.15Å; A566-W589 HydrophobicContact CB-CZ3 3.51Å
567	V	97.3	Very high	92.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.5	172.1	-179	0	0	0	0	109.1	T490 I492 I562 F632 Y633 K635	T490-V567 WeakPolarHBondContact O-CA 3.43Å; I492-V567 HydrophobicContact CD1-CG1 3.43Å; I492-V567 VanDerWaalsContact CD1-CG1 3.43Å; I492-V567 HydrophobicContact CG1-CG1 3.8Å; I562-V567 HydrophobicContact CG2-CG2 3.61Å; V567-F632 CarbonylContact O-C 3.55Å; V567-F632 VanDerWaalsContact O-CA 3.26Å; V567-F632 WeakPolarHBondContact O-CA 3.16Å; V567-Y633 HydrophobicContact CB-CD2 4.44Å; V567-Y633 HydrophobicContact CB-CE1 4.23Å; V567-Y633 HydrophobicContact CB-CE2 4.12Å; V567-Y633 HydrophobicContact CG1-CE1 3.93Å; V567-Y633 HydrophobicContact CG1-CE2 4.15Å; V567-Y633 WeakPolarHBondContact CG1-OH 3.21Å; V567-Y633 PolarHBondContact N-O 3.24Å; V567-Y633 PolarHBondContact O-N 3.33Å; V567-K635 HydrophobicContact CG2-CB 3.77Å
568	L	97.9	Very high	92.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.4	165.3	171.5	62.9	0	0	0	108.2	F489 T490 A491 I492 V509 I570 L582 A631 F632	F489-L568 HydrophobicContact CD2-CB 3.76Å; F489-L568 HydrophobicContact CD2-CD2 4.46Å; F489-L568 HydrophobicContact CE2-CB 3.87Å; F489-L568 HydrophobicContact CE2-CD2 3.7Å; F489-L568 HydrophobicContact CE2-CG 4.45Å; F489-L568 HydrophobicContact CZ-CD2 4.35Å; T490-L568 PolarHBondContact O-N 3.11Å; A491-L568 CarbonylContact C-O 3.39Å; A491-L568 WeakPolarHBondContact CA-O 3.43Å; A491-L568 HydrophobicContact CB-CB 4.44Å; A491-L568 HydrophobicContact CB-CD2 4.33Å; I492-L568 PolarHBondContact N-O 2.83Å; V509-L568 HydrophobicContact CG1-CD2 4.41Å; L568-I570 HydrophobicContact CG-CB 4.43Å; L568-L582 HydrophobicContact CD1-CD2 4.47Å; L568-L582 HydrophobicContact CD2-CD2 3.94Å; L568-A631 WeakPolarHBondContact CA-O 3.48Å; L568-F632 HydrophobicContact CB-CD1 3.95Å; L568-F632 HydrophobicContact CB-CE1 3.7Å; L568-F632 HydrophobicContact CB-CZ 4.2Å; L568-F632 HydrophobicContact CD1-CD1 4.42Å; L568-F632 HydrophobicContact CD1-CD2 4.12Å; L568-F632 HydrophobicContact CD1-CE1 4.21Å; L568-F632 HydrophobicContact CD1-CE2 3.89Å; L568-F632 HydrophobicContact CD1-CG 4.38Å; L568-F632 HydrophobicContact CD1-CZ 3.94Å; L568-F632 HydrophobicContact CD2-CE1 4.42Å; L568-F632 HydrophobicContact CD2-CZ 4.15Å; L568-F632 HydrophobicContact CG-CE1 4.32Å; L568-F632 HydrophobicContact CG-CZ 4.31Å
569	A	97.5	Very high	92	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.4	161	0	0	0	0	0	109.2	T628 A630 A631 Y633	A569-T628 CarbonylContact C-O 3.55Å; A569-T628 WeakPolarHBondContact CB-O 3.49Å; A569-A630 WeakPolarHBondContact O-CA 3.16Å; A569-A631 PolarHBondContact N-O 3.2Å; A569-A631 PolarHBondContact O-N 3.02Å; A569-Y633 HydrophobicContact CB-CE1 3.67Å
570	I	95.4	Very high	91.8	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	138.7	176.9	-167.9	166.6	0	0	0	110.6	I492 V493 V505 V509 L568 I574 L577 G629	I492-I570 PolarHBondContact O-N 2.76Å; I492-I570 VanDerWaalsContact O-N 3.12Å; V493-I570 HydrophobicContact CG1-CG2 4.47Å; V493-I570 HydrophobicContact CG2-CG2 3.81Å; V505-I570 HydrophobicContact CG1-CD1 4.08Å; V505-I570 HydrophobicContact CG1-CG1 4.33Å; V505-I570 HydrophobicContact CG1-CG2 4.15Å; V509-I570 HydrophobicContact CG2-CD1 4.03Å; L568-I570 HydrophobicContact CG-CB 4.43Å; I570-I574 HydrophobicContact CD1-CB 4.11Å; I570-I574 HydrophobicContact CD1-CG2 4.17Å; I570-I574 HydrophobicContact CG1-CB 3.84Å; I570-I574 HydrophobicContact CG1-CG1 4.25Å; I570-I574 HydrophobicContact CG1-CG2 4.23Å; I570-L577 HydrophobicContact CD1-CD1 4.22Å; I570-G629 CarbonylContact C-O 3.29Å; I570-G629 VanDerWaalsContact CA-O 3.26Å; I570-G629 WeakPolarHBondContact CA-O 3.42Å
571	D	93.1	Very high	91.8	Very high	52 Å²	52	24.8 Å²	24.8	28%	0.278	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	153.8	175.5	-62.6	-27.5	0	0	0	111	R555 D573 I574 G629	R555-D571 IonicContact CZ-OD1 3.65Å; R555-D571 IonicContact NH1-OD1 3.98Å; R555-D571 PolarHBondContact NH1-OD1 3.44Å; R555-D571 IonicContact NH2-OD1 3.78Å; D571-D573 PolarHBondContact O-N 2.87Å; D571-D573 VanDerWaalsContact O-N 3.12Å; D571-I574 HydrophobicContact CB-CD1 4.44Å; D571-I574 HydrophobicContact CB-CG1 3.84Å; D571-I574 PolarHBondContact O-N 2.77Å; D571-G629 PolarHBondContact N-O 3.25Å; D571-G629 WeakPolarHBondContact OD1-CA 3.45Å; D571-G629 WeakPolarHBondContact OD2-CA 3.34Å
572	D	91.6	Very high	91.8	Very high	9 Å²	9	22.7 Å²	22.7	5%	0.048	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	0.2	-173.5	68.3	3.6	0	0	0	115.5	V493 T495 Y496 R498 S501 L502 V505	V493-D572 HydrophobicContact CG1-CB 4.08Å; T495-D572 WeakPolarHBondContact CA-OD2 3.43Å; T495-D572 VanDerWaalsContact CB-OD2 3.25Å; T495-D572 WeakPolarHBondContact CB-OD2 3.22Å; T495-D572 PolarHBondContact OG1-OD2 3.33Å; Y496-D572 PolarHBondContact N-OD2 2.75Å; R498-D572 WeakPolarHBondContact CB-OD2 3.47Å; R498-D572 WeakPolarHBondContact CD-OD1 3.39Å; R498-D572 IonicContact CZ-OD1 3.61Å; R498-D572 IonicContact NE-OD1 2.71Å; R498-D572 IonicContact NH1-OD1 2.78Å; R498-D572 PolarHBondContact NH1-OD1 2.98Å; R498-D572 VanDerWaalsContact NH1-OD1 3.13Å; S501-D572 CarbonylContact C-O 3.4Å; S501-D572 VanDerWaalsContact C-O 3.29Å; S501-D572 WeakPolarHBondContact CB-O 3.24Å; S501-D572 PolarHBondContact OG-O 2.87Å; L502-D572 HydrophobicContact CB-CB 4.34Å; L502-D572 HydrophobicContact CD1-CB 4.5Å; L502-D572 PolarHBondContact N-O 3.19Å; V505-D572 WeakPolarHBondContact CG2-O 3.48Å
573	D	86.6	Confident	91.8	Very high	42 Å²	42	23 Å²	23	23%	0.225	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	3.7	175.8	61.5	14.9	0	0	0	115.2	R498 S501 D571 I575 C687	R498-D573 IonicContact CZ-OD2 3.76Å; R498-D573 VanDerWaalsContact NH1-CG 3.35Å; R498-D573 IonicContact NH1-OD2 2.89Å; R498-D573 PolarHBondContact NH1-OD2 2.86Å; R498-D573 IonicContact NH2-OD2 2.75Å; S501-D573 WeakPolarHBondContact OG-CA 3.14Å; D571-D573 PolarHBondContact O-N 2.87Å; D571-D573 VanDerWaalsContact O-N 3.12Å; D573-I575 VanDerWaalsContact C-N 3.3Å; D573-I575 PolarHBondContact O-N 2.92Å; D573-C687 HydrophobicContact CB-CB 4.18Å
574	I	87.6	Confident	92	Very high	15 Å²	15	17.8 Å²	17.8	8%	0.077	9%	0.094	C	C	.	.			trans	-86	67.4	-177.7	-49.5	-63.4	0	0	0	111.4	I570 D571 M576 L577 A630 F685	I570-I574 HydrophobicContact CD1-CB 4.11Å; I570-I574 HydrophobicContact CD1-CG2 4.17Å; I570-I574 HydrophobicContact CG1-CB 3.84Å; I570-I574 HydrophobicContact CG1-CG1 4.25Å; I570-I574 HydrophobicContact CG1-CG2 4.23Å; D571-I574 HydrophobicContact CB-CD1 4.44Å; D571-I574 HydrophobicContact CB-CG1 3.84Å; D571-I574 PolarHBondContact O-N 2.77Å; I574-M576 VanDerWaalsContact C-N 3.35Å; I574-L577 HydrophobicContact CG2-CD1 3.74Å; I574-L577 HydrophobicContact CG2-CG 4.02Å; I574-A630 HydrophobicContact CG2-CB 4.38Å; I574-F685 HydrophobicContact CD1-CB 3.56Å; I574-F685 HydrophobicContact CD1-CD2 4.26Å; I574-F685 HydrophobicContact CD1-CG 3.88Å; I574-F685 HydrophobicContact CG2-CB 4.46Å; I574-F685 HydrophobicContact CG2-CD1 3.69Å; I574-F685 HydrophobicContact CG2-CE1 4.1Å; I574-F685 HydrophobicContact CG2-CG 3.93Å
575	I	82.9	Confident	92	Very high	35 Å²	35	17.3 Å²	17.3	18%	0.179	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.7	-179.6	67.4	171.2	0	0	0	114.4	R504 V505 D573	R504-I575 HydrophobicContact CB-CG2 4.04Å; V505-I575 HydrophobicContact CG2-CG2 3.86Å; D573-I575 VanDerWaalsContact C-N 3.3Å; D573-I575 PolarHBondContact O-N 2.92Å
576	M	81.7	Confident	92.2	Very high	45 Å²	45	15 Å²	15	22%	0.222	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-16.9	-171.6	-51.2	-174	79	0	0	114.3	I574 T578 R682 F685 K686 L751	I574-M576 VanDerWaalsContact C-N 3.35Å; M576-T578 PolarHBondContact O-N 3.46Å; M576-R682 VanDerWaalsContact O-CZ 3.29Å; M576-R682 PolarHBondContact O-NH1 3.24Å; M576-R682 PolarHBondContact O-NH2 2.93Å; M576-F685 HydrophobicContact CB-CD1 4.11Å; M576-K686 HydrophobicContact SD-CB 4.34Å; M576-K686 PolarHBondContact SD-N 3.4Å; M576-L751 WeakPolarHBondContact O-CD1 3.47Å
577	L	88	Confident	92.1	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.026	9%	0.087	C	C	.	.			trans	-71.1	128	-175.9	-75.9	171.7	0	0	0	111.1	I570 I574 E581 L582 Y599 A630 F685	I570-L577 HydrophobicContact CD1-CD1 4.22Å; I574-L577 HydrophobicContact CG2-CD1 3.74Å; I574-L577 HydrophobicContact CG2-CG 4.02Å; L577-E581 HydrophobicContact CD2-CB 4.16Å; L577-E581 WeakPolarHBondContact CD2-OE2 3.49Å; L577-L582 HydrophobicContact CB-CD1 4.44Å; L577-L582 HydrophobicContact CB-CD2 4.22Å; L577-L582 HydrophobicContact CB-CG 4.11Å; L577-L582 HydrophobicContact CD1-CD2 3.81Å; L577-Y599 HydrophobicContact CD1-CD2 3.91Å; L577-Y599 HydrophobicContact CD1-CE2 3.96Å; L577-Y599 HydrophobicContact CD1-CG 4.41Å; L577-Y599 HydrophobicContact CD2-CD1 3.63Å; L577-Y599 HydrophobicContact CD2-CD2 4.11Å; L577-Y599 HydrophobicContact CD2-CE1 3.82Å; L577-Y599 HydrophobicContact CD2-CE2 4.29Å; L577-Y599 HydrophobicContact CD2-CG 3.82Å; L577-A630 HydrophobicContact CD1-CB 3.78Å; L577-F685 HydrophobicContact CD1-CE1 4.23Å; L577-F685 HydrophobicContact CD1-CZ 4.32Å; L577-F685 HydrophobicContact CD2-CE1 3.53Å; L577-F685 HydrophobicContact CD2-CZ 3.66Å; L577-F685 HydrophobicContact CG-CD1 4.41Å; L577-F685 HydrophobicContact CG-CE1 3.54Å; L577-F685 HydrophobicContact CG-CZ 3.98Å
578	T	90.6	Very high	91.9	Very high	18 Å²	18	16.9 Å²	16.9	11%	0.11	9%	0.089	C	C	.	.			trans	-79	159.2	175.6	75	0	0	0	0	111.1	M576 D580 E581 L582 N747 L751	M576-T578 PolarHBondContact O-N 3.46Å; T578-D580 PolarHBondContact O-N 3.41Å; T578-D580 PolarHBondContact OG1-N 2.97Å; T578-E581 PolarHBondContact N-OE2 3.3Å; T578-E581 PolarHBondContact O-N 3.46Å; T578-E581 WeakPolarHBondContact OG1-CG 3.36Å; T578-E581 PolarHBondContact OG1-N 3.21Å; T578-E581 VanDerWaalsContact OG1-N 3.14Å; T578-L582 PolarHBondContact O-N 2.85Å; T578-N747 HydrophobicContact CG2-CB 4.45Å; T578-N747 WeakPolarHBondContact CG2-O 3.48Å; T578-N747 PolarHBondContact OG1-O 3.02Å; T578-L751 HydrophobicContact CG2-CD1 4.21Å
579	S	92.4	Very high	91.7	Very high	24 Å²	24	17 Å²	17	17%	0.168	9%	0.089	C	C	.	.	H	α-helix	trans	-56.7	-33.1	173.6	-176.7	0	0	0	0	112.4	K511 V512 Q583	K511-S579 PolarHBondContact O-OG 3.33Å; V512-S579 WeakPolarHBondContact CA-OG 3.35Å; S579-Q583 WeakPolarHBondContact O-CB 3.43Å; S579-Q583 PolarHBondContact O-N 2.94Å
580	D	92.6	Very high	91.3	Very high	28 Å²	28	18.4 Å²	18.4	15%	0.15	9%	0.094	C	C	.	.	H	α-helix	trans	-74.5	-40.1	179.1	-67	4.2	0	0	0	111.3	T578 L582 Q583 F584 F745 P746 N747 I748	T578-D580 PolarHBondContact O-N 3.41Å; T578-D580 PolarHBondContact OG1-N 2.97Å; D580-L582 VanDerWaalsContact C-N 3.32Å; D580-L582 PolarHBondContact O-N 2.99Å; D580-Q583 PolarHBondContact O-N 2.72Å; D580-F584 VanDerWaalsContact O-CB 3.24Å; D580-F584 WeakPolarHBondContact O-CB 3.37Å; D580-F584 PolarHBondContact O-N 3.35Å; D580-F745 HydrophobicContact CB-CB 4.18Å; D580-F745 HydrophobicContact CB-CD1 4.24Å; D580-P746 WeakPolarHBondContact OD2-CD 3.28Å; D580-N747 HydrophobicContact CB-CB 4.12Å; D580-N747 WeakPolarHBondContact OD2-CA 3.28Å; D580-N747 VanDerWaalsContact OD2-CB 3.24Å; D580-N747 WeakPolarHBondContact OD2-CB 3.3Å; D580-N747 PolarHBondContact OD2-N 3.41Å; D580-N747 PolarHBondContact OD2-ND2 2.84Å; D580-I748 HydrophobicContact CB-CG1 4.08Å
581	E	92.9	Very high	90.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-41.7	173.1	-73	179.8	148.9	0	0	111.3	L577 T578 G585 Y599 T680 R682 I748 G749	L577-E581 HydrophobicContact CD2-CB 4.16Å; L577-E581 WeakPolarHBondContact CD2-OE2 3.49Å; T578-E581 PolarHBondContact N-OE2 3.3Å; T578-E581 PolarHBondContact O-N 3.46Å; T578-E581 WeakPolarHBondContact OG1-CG 3.36Å; T578-E581 PolarHBondContact OG1-N 3.21Å; T578-E581 VanDerWaalsContact OG1-N 3.14Å; E581-G585 PolarHBondContact O-N 3.18Å; E581-Y599 VanDerWaalsContact C-OH 3.31Å; E581-Y599 HydrophobicContact CB-CE1 4.08Å; E581-Y599 WeakPolarHBondContact O-CE1 3.45Å; E581-Y599 PolarHBondContact O-OH 3.24Å; E581-T680 HydrophobicContact CG-CG2 4.32Å; E581-R682 IonicContact OE1-NH1 3.97Å; E581-R682 PolarHBondContact OE1-NH1 2.92Å; E581-R682 IonicContact OE2-CZ 2.75Å; E581-R682 IonicContact OE2-NH1 3.13Å; E581-R682 PolarHBondContact OE2-NH1 2.97Å; E581-I748 HydrophobicContact CG-CB 4.39Å; E581-I748 HydrophobicContact CG-CG1 3.87Å; E581-G749 PolarHBondContact OE1-N 2.99Å; E581-G749 VanDerWaalsContact OE1-N 3.11Å
582	L	94.4	Very high	90.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-68.2	-46	176.5	-70.8	176.2	0	0	0	112.8	V509 V512 L568 L577 T578 D580 F584 G585 Y586 Y599 F632	V509-L582 HydrophobicContact CG2-CD1 3.94Å; V512-L582 HydrophobicContact CG1-CB 4.33Å; V512-L582 HydrophobicContact CG2-CB 3.5Å; V512-L582 HydrophobicContact CG2-CD1 3.63Å; V512-L582 HydrophobicContact CG2-CG 4.22Å; L568-L582 HydrophobicContact CD1-CD2 4.47Å; L568-L582 HydrophobicContact CD2-CD2 3.94Å; L577-L582 HydrophobicContact CB-CD1 4.44Å; L577-L582 HydrophobicContact CB-CD2 4.22Å; L577-L582 HydrophobicContact CB-CG 4.11Å; L577-L582 HydrophobicContact CD1-CD2 3.81Å; T578-L582 PolarHBondContact O-N 2.85Å; D580-L582 VanDerWaalsContact C-N 3.32Å; D580-L582 PolarHBondContact O-N 2.99Å; L582-F584 PolarHBondContact O-N 3.08Å; L582-G585 PolarHBondContact O-N 3.2Å; L582-Y586 PolarHBondContact O-N 2.71Å; L582-Y599 WeakPolarHBondContact CA-OH 3.5Å; L582-Y599 HydrophobicContact CD2-CE2 4.34Å; L582-F632 WeakPolarHBondContact O-CE2 3.48Å; L582-F632 VanDerWaalsContact O-CZ 3.3Å; L582-F632 WeakPolarHBondContact O-CZ 3.34Å
583	Q	94.7	Very high	90.5	Very high	19 Å²	19	23.8 Å²	23.8	9%	0.089	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-45.1	175.7	-175.7	65.6	35.6	0	0	111.1	V512 S514 S579 D580 G585 Y586 E587 F745	V512-Q583 HydrophobicContact CG1-CB 4.18Å; S514-Q583 VanDerWaalsContact N-OE1 3.14Å; S514-Q583 PolarHBondContact OG-NE2 3.16Å; S514-Q583 PolarHBondContact OG-OE1 3.09Å; S579-Q583 WeakPolarHBondContact O-CB 3.43Å; S579-Q583 PolarHBondContact O-N 2.94Å; D580-Q583 PolarHBondContact O-N 2.72Å; Q583-G585 PolarHBondContact O-N 3.04Å; Q583-Y586 WeakPolarHBondContact O-CB 3.35Å; Q583-Y586 PolarHBondContact O-N 3.14Å; Q583-E587 PolarHBondContact NE2-OE1 2.92Å; Q583-E587 WeakPolarHBondContact O-CG 3.23Å; Q583-E587 PolarHBondContact O-N 3.32Å; Q583-F745 HydrophobicContact CB-CE1 4.01Å; Q583-F745 HydrophobicContact CG-CE1 3.74Å; Q583-F745 HydrophobicContact CG-CZ 4.46Å
584	F	94.6	Very high	90.5	Very high	17 Å²	17	22.5 Å²	22.5	8%	0.075	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-38.9	177.8	177.5	-103.8	0	0	0	112.5	D580 L582 Y586 E587 V588 V679 T680 A729 P731 F745 I748	D580-F584 VanDerWaalsContact O-CB 3.24Å; D580-F584 WeakPolarHBondContact O-CB 3.37Å; D580-F584 PolarHBondContact O-N 3.35Å; L582-F584 PolarHBondContact O-N 3.08Å; F584-Y586 VanDerWaalsContact C-N 3.27Å; F584-Y586 PolarHBondContact O-N 2.76Å; F584-E587 PolarHBondContact O-N 3.49Å; F584-V588 HydrophobicContact CD1-CG2 4.21Å; F584-V588 HydrophobicContact CD2-CG2 4.31Å; F584-V588 HydrophobicContact CE1-CG2 3.67Å; F584-V588 HydrophobicContact CE2-CG2 3.79Å; F584-V588 HydrophobicContact CG-CG2 4.5Å; F584-V588 HydrophobicContact CZ-CG2 3.43Å; F584-V588 VanDerWaalsContact CZ-CG2 3.43Å; F584-V588 WeakPolarHBondContact O-CG2 3.26Å; F584-V588 PolarHBondContact O-N 2.95Å; F584-V679 HydrophobicContact CD1-CB 4.49Å; F584-V679 HydrophobicContact CE1-CB 4.27Å; F584-V679 HydrophobicContact CE1-CG1 4.42Å; F584-T680 HydrophobicContact CD1-CG2 3.97Å; F584-T680 HydrophobicContact CE1-CG2 4.39Å; F584-A729 WeakPolarHBondContact CE1-O 3.44Å; F584-A729 HydrophobicContact CZ-CB 4.3Å; F584-P731 HydrophobicContact CD2-CG 3.95Å; F584-P731 HydrophobicContact CE2-CB 4.35Å; F584-P731 HydrophobicContact CE2-CG 3.92Å; F584-P731 HydrophobicContact CG-CG 4.29Å; F584-P731 HydrophobicContact CZ-CG 4.23Å; F584-F745 HydrophobicContact CB-CD1 4.14Å; F584-F745 HydrophobicContact CB-CD2 4.33Å; F584-F745 HydrophobicContact CB-CE1 4.13Å; F584-F745 HydrophobicContact CB-CE2 4.32Å; F584-F745 HydrophobicContact CB-CG 4.24Å; F584-F745 HydrophobicContact CB-CZ 4.22Å; F584-F745 AromaticContact CD2-CD2 3.91Å; F584-F745 HydrophobicContact CD2-CD2 3.91Å; F584-F745 AromaticContact CD2-CE2 3.73Å; F584-F745 HydrophobicContact CD2-CE2 3.73Å; F584-F745 HydrophobicContact CD2-CZ 4.29Å; F584-F745 HydrophobicContact CG-CD2 4.49Å; F584-F745 HydrophobicContact CG-CE2 4.5Å; F584-I748 HydrophobicContact CB-CD1 3.49Å; F584-I748 VanDerWaalsContact CB-CD1 3.49Å; F584-I748 HydrophobicContact CD1-CD1 3.93Å; F584-I748 HydrophobicContact CD2-CD1 4.39Å; F584-I748 HydrophobicContact CG-CD1 3.67Å
585	G	95.1	Very high	90.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.4	-38.2	173	0	0	0	0	0	112.9	E581 L582 Q583 W589	E581-G585 PolarHBondContact O-N 3.18Å; L582-G585 PolarHBondContact O-N 3.2Å; Q583-G585 PolarHBondContact O-N 3.04Å; G585-W589 WeakPolarHBondContact O-CB 3.48Å; G585-W589 PolarHBondContact O-N 2.91Å
586	Y	95.1	Very high	91.3	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-66.8	-45	172.6	172.9	-109.8	0	0	0	112.5	G488 F489 S514 A566 L582 Q583 F584 V588 W589 R590 F632	G488-Y586 WeakPolarHBondContact CA-OH 3.43Å; G488-Y586 PolarHBondContact N-OH 3.48Å; G488-Y586 VanDerWaalsContact O-CE2 3.29Å; G488-Y586 WeakPolarHBondContact O-CE2 3.38Å; G488-Y586 PolarHBondContact O-OH 2.97Å; G488-Y586 VanDerWaalsContact O-OH 3.07Å; F489-Y586 HydrophobicContact CB-CD2 3.93Å; F489-Y586 HydrophobicContact CB-CE2 3.96Å; F489-Y586 HydrophobicContact CD1-CD1 4.38Å; F489-Y586 AromaticContact CD1-CD2 3.62Å; F489-Y586 HydrophobicContact CD1-CD2 3.62Å; F489-Y586 HydrophobicContact CD1-CE2 4.13Å; F489-Y586 AromaticContact CD1-CG 3.76Å; F489-Y586 HydrophobicContact CD1-CG 3.76Å; F489-Y586 HydrophobicContact CE1-CG 4.29Å; F489-Y586 HydrophobicContact CG-CD2 4.16Å; S514-Y586 VanDerWaalsContact CB-CE1 3.49Å; S514-Y586 WeakPolarHBondContact OG-CE1 3.13Å; A566-Y586 HydrophobicContact CB-CD2 4.08Å; A566-Y586 HydrophobicContact CB-CE2 3.69Å; L582-Y586 PolarHBondContact O-N 2.71Å; Q583-Y586 WeakPolarHBondContact O-CB 3.35Å; Q583-Y586 PolarHBondContact O-N 3.14Å; F584-Y586 VanDerWaalsContact C-N 3.27Å; F584-Y586 PolarHBondContact O-N 2.76Å; Y586-V588 PolarHBondContact O-N 2.88Å; Y586-W589 HydrophobicContact CD2-CE3 4.33Å; Y586-W589 HydrophobicContact CE2-CE3 4.2Å; Y586-W589 HydrophobicContact CE2-CZ3 4.4Å; Y586-W589 PolarHBondContact O-N 3.27Å; Y586-R590 HydrophobicContact CE1-CG 4.27Å; Y586-R590 HydrophobicContact CE2-CG 4.2Å; Y586-R590 WeakPolarHBondContact O-CG 3.46Å; Y586-R590 PolarHBondContact O-N 2.81Å; Y586-F632 HydrophobicContact CD2-CD1 4.4Å; Y586-F632 HydrophobicContact CD2-CE1 4.24Å; Y586-F632 HydrophobicContact CG-CE1 4.46Å
587	E	92.4	Very high	92	Very high	34 Å²	34	19.3 Å²	19.3	16%	0.159	9%	0.093	C	C	.	.	H	α-helix	trans	-61.6	-41.9	176.5	-61.9	-58.1	163.3	0	0	111.9	Q583 F584 R590 E591 F745	Q583-E587 PolarHBondContact NE2-OE1 2.92Å; Q583-E587 WeakPolarHBondContact O-CG 3.23Å; Q583-E587 PolarHBondContact O-N 3.32Å; F584-E587 PolarHBondContact O-N 3.49Å; E587-R590 WeakPolarHBondContact O-CB 3.18Å; E587-R590 PolarHBondContact O-N 2.83Å; E587-R590 VanDerWaalsContact O-N 3.1Å; E587-R590 IonicContact OE2-CZ 3.84Å; E587-R590 IonicContact OE2-NH1 3.2Å; E587-R590 PolarHBondContact OE2-NH1 3.35Å; E587-E591 PolarHBondContact O-N 3.12Å; E587-F745 HydrophobicContact CG-CZ 4.19Å
588	V	92.8	Very high	92.3	Very high	5 Å²	5	19 Å²	19	3%	0.03	9%	0.092	C	C	.	.	H	α-helix	trans	-66.1	-38.1	174.5	177.8	0	0	0	0	111.3	F584 Y586 R590 E591 F592 V597 I677 V679 A729	F584-V588 HydrophobicContact CD1-CG2 4.21Å; F584-V588 HydrophobicContact CD2-CG2 4.31Å; F584-V588 HydrophobicContact CE1-CG2 3.67Å; F584-V588 HydrophobicContact CE2-CG2 3.79Å; F584-V588 HydrophobicContact CG-CG2 4.5Å; F584-V588 HydrophobicContact CZ-CG2 3.43Å; F584-V588 VanDerWaalsContact CZ-CG2 3.43Å; F584-V588 WeakPolarHBondContact O-CG2 3.26Å; F584-V588 PolarHBondContact O-N 2.95Å; Y586-V588 PolarHBondContact O-N 2.88Å; V588-R590 PolarHBondContact O-N 3.25Å; V588-E591 PolarHBondContact O-N 2.96Å; V588-E591 VanDerWaalsContact O-N 3.08Å; V588-F592 HydrophobicContact CG1-CD2 3.93Å; V588-F592 HydrophobicContact CG1-CE2 4.32Å; V588-F592 WeakPolarHBondContact O-CD2 3.32Å; V588-F592 PolarHBondContact O-N 3.13Å; V588-F592 VanDerWaalsContact O-N 3.13Å; V588-V597 HydrophobicContact CB-CG1 4.06Å; V588-V597 HydrophobicContact CG1-CG1 3.72Å; V588-I677 HydrophobicContact CG1-CG2 3.74Å; V588-V679 HydrophobicContact CB-CG1 3.79Å; V588-V679 HydrophobicContact CG1-CG1 3.69Å; V588-V679 HydrophobicContact CG2-CG1 3.95Å; V588-A729 HydrophobicContact CG1-CB 3.87Å; V588-A729 HydrophobicContact CG2-CB 3.87Å
589	W	93.6	Very high	92.4	Very high	3 Å²	3	18.2 Å²	18.2	1%	0.011	9%	0.086	C	C	.	.	H	α-helix	trans	-60.8	-34.2	171.8	175.8	84	0	0	0	112.1	P483 E565 A566 G585 Y586 E591 F592 P593 V597 F632 H634	P483-W589 HydrophobicContact CB-CZ3 4.35Å; P483-W589 HydrophobicContact CG-CH2 4.12Å; P483-W589 HydrophobicContact CG-CZ3 4.05Å; E565-W589 HydrophobicContact CB-CH2 4.15Å; A566-W589 HydrophobicContact CB-CD2 4.12Å; A566-W589 HydrophobicContact CB-CE3 3.68Å; A566-W589 HydrophobicContact CB-CH2 3.74Å; A566-W589 HydrophobicContact CB-CZ2 4.15Å; A566-W589 HydrophobicContact CB-CZ3 3.51Å; G585-W589 WeakPolarHBondContact O-CB 3.48Å; G585-W589 PolarHBondContact O-N 2.91Å; Y586-W589 HydrophobicContact CD2-CE3 4.33Å; Y586-W589 HydrophobicContact CE2-CE3 4.2Å; Y586-W589 HydrophobicContact CE2-CZ3 4.4Å; Y586-W589 PolarHBondContact O-N 3.27Å; W589-E591 VanDerWaalsContact C-N 3.27Å; W589-E591 PolarHBondContact O-N 3.28Å; W589-F592 CarbonylContact O-C 3.39Å; W589-F592 PolarHBondContact O-N 3.28Å; W589-F592 VanDerWaalsContact O-N 3.13Å; W589-P593 HydrophobicContact CD2-CB 4.42Å; W589-P593 HydrophobicContact CH2-CB 3.92Å; W589-P593 HydrophobicContact CZ2-CB 3.62Å; W589-P593 HydrophobicContact CZ3-CB 4.41Å; W589-P593 PolarHBondContact NE1-O 2.86Å; W589-P593 WeakPolarHBondContact O-CA 3.43Å; W589-P593 WeakPolarHBondContact O-CD 3.18Å; W589-V597 HydrophobicContact CB-CB 4.14Å; W589-V597 HydrophobicContact CB-CG1 4.46Å; W589-V597 HydrophobicContact CB-CG2 4.15Å; W589-F632 HydrophobicContact CB-CB 3.66Å; W589-F632 HydrophobicContact CB-CG 4.31Å; W589-F632 HydrophobicContact CG-CB 3.77Å; W589-H634 HydrophobicContact CZ2-CB 3.97Å; W589-H634 AromaticContact CZ2-CD2 3.88Å
590	R	89.5	Confident	92.3	Very high	29 Å²	29	17.5 Å²	17.5	11%	0.109	8%	0.081	C	C	.	.	H	α-helix	trans	-66.2	-26.8	174.2	-67.9	175.4	59.6	-111.5	-12.8	113	I482 P483 Q485 Y586 E587 V588	I482-R590 WeakPolarHBondContact CA-O 3.46Å; I482-R590 HydrophobicContact CG2-CB 4.41Å; P483-R590 WeakPolarHBondContact CD-O 3.28Å; P483-R590 VanDerWaalsContact O-CZ 3.3Å; P483-R590 PolarHBondContact O-NE 2.92Å; P483-R590 PolarHBondContact O-NH2 3.46Å; Q485-R590 VanDerWaalsContact CG-NH1 3.32Å; Y586-R590 HydrophobicContact CE1-CG 4.27Å; Y586-R590 HydrophobicContact CE2-CG 4.2Å; Y586-R590 WeakPolarHBondContact O-CG 3.46Å; Y586-R590 PolarHBondContact O-N 2.81Å; E587-R590 WeakPolarHBondContact O-CB 3.18Å; E587-R590 PolarHBondContact O-N 2.83Å; E587-R590 VanDerWaalsContact O-N 3.1Å; E587-R590 IonicContact OE2-CZ 3.84Å; E587-R590 IonicContact OE2-NH1 3.2Å; E587-R590 PolarHBondContact OE2-NH1 3.35Å; V588-R590 PolarHBondContact O-N 3.25Å
591	E	85.8	Confident	92.2	Very high	114 Å²	114	16.6 Å²	16.6	53%	0.533	8%	0.078	S	C	.	.	H	α-helix	trans	-82.1	-19.2	173	-66.1	-179.5	-173.3	0	0	112.8	E587 V588 W589	E587-E591 PolarHBondContact O-N 3.12Å; V588-E591 PolarHBondContact O-N 2.96Å; V588-E591 VanDerWaalsContact O-N 3.08Å; W589-E591 VanDerWaalsContact C-N 3.27Å; W589-E591 PolarHBondContact O-N 3.28Å
592	F	88.4	Confident	92.2	Very high	55 Å²	55	18.6 Å²	18.6	24%	0.241	9%	0.086	C	C	.	.			trans	-137.4	56.4	-177	-56.5	-75.2	0	0	0	112.7	V588 W589 D594 R595 V597 I677	V588-F592 HydrophobicContact CG1-CD2 3.93Å; V588-F592 HydrophobicContact CG1-CE2 4.32Å; V588-F592 WeakPolarHBondContact O-CD2 3.32Å; V588-F592 PolarHBondContact O-N 3.13Å; V588-F592 VanDerWaalsContact O-N 3.13Å; W589-F592 CarbonylContact O-C 3.39Å; W589-F592 PolarHBondContact O-N 3.28Å; W589-F592 VanDerWaalsContact O-N 3.13Å; F592-D594 PolarHBondContact O-N 3.1Å; F592-D594 VanDerWaalsContact O-N 3.14Å; F592-R595 HydrophobicContact CB-CB 4.27Å; F592-R595 HydrophobicContact CB-CG 4.32Å; F592-R595 PolarHBondContact O-N 2.82Å; F592-V597 HydrophobicContact CB-CG2 4.35Å; F592-I677 HydrophobicContact CB-CG1 4.06Å; F592-I677 HydrophobicContact CD1-CD1 4.4Å; F592-I677 HydrophobicContact CD2-CD1 4.42Å; F592-I677 HydrophobicContact CD2-CG1 4.09Å; F592-I677 HydrophobicContact CG-CD1 4.27Å; F592-I677 HydrophobicContact CG-CG1 3.96Å
593	P	88.3	Confident	92	Very high	7 Å²	7	18.6 Å²	18.6	5%	0.045	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.9	-167.1	31.2	-38.8	0	0	0	113.4	L479 P483 W589 R595 H634	L479-P593 HydrophobicContact CB-CG 4.47Å; L479-P593 HydrophobicContact CD1-CB 3.84Å; L479-P593 HydrophobicContact CD1-CG 3.83Å; P483-P593 HydrophobicContact CG-CB 3.86Å; P483-P593 HydrophobicContact CG-CG 3.96Å; W589-P593 HydrophobicContact CD2-CB 4.42Å; W589-P593 HydrophobicContact CH2-CB 3.92Å; W589-P593 HydrophobicContact CZ2-CB 3.62Å; W589-P593 HydrophobicContact CZ3-CB 4.41Å; W589-P593 PolarHBondContact NE1-O 2.86Å; W589-P593 WeakPolarHBondContact O-CA 3.43Å; W589-P593 WeakPolarHBondContact O-CD 3.18Å; P593-R595 VanDerWaalsContact C-N 3.33Å; P593-H634 WeakPolarHBondContact O-CB 3.33Å
594	D	87.4	Confident	92	Very high	16 Å²	16	18.1 Å²	18.1	9%	0.086	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.1	173.7	68.5	-18.8	0	0	0	114	N475 L477 F592 T672 K674	N475-D594 VanDerWaalsContact ND2-CB 3.26Å; N475-D594 WeakPolarHBondContact ND2-CB 3.41Å; N475-D594 PolarHBondContact ND2-OD2 3.29Å; L477-D594 HydrophobicContact CD1-CB 4.22Å; F592-D594 PolarHBondContact O-N 3.1Å; F592-D594 VanDerWaalsContact O-N 3.14Å; D594-T672 HydrophobicContact CB-CG2 4.2Å; D594-T672 VanDerWaalsContact O-CG2 3.25Å; D594-T672 WeakPolarHBondContact O-CG2 3.49Å; D594-T672 PolarHBondContact O-OG1 2.82Å; D594-K674 WeakPolarHBondContact OD2-CD 3.32Å; D594-K674 VanDerWaalsContact OD2-CE 3.3Å; D594-K674 WeakPolarHBondContact OD2-CE 3.47Å; D594-K674 IonicContact OD2-NZ 3.7Å; D594-K674 PolarHBondContact OD2-NZ 3.27Å
595	R	91.3	Very high	91.8	Very high	27 Å²	27	20.4 Å²	20.4	10%	0.102	10%	0.096	C	C	.	.	S	Bend	trans	-114.7	159	178.9	-58.6	178.3	-166.4	-130.3	4.8	111.3	E460 F592 P593 V597 K674 A675 I677	E460-R595 IonicContact OE1-CZ 2.68Å; E460-R595 IonicContact OE1-NH1 3.7Å; E460-R595 IonicContact OE1-NH2 2.66Å; E460-R595 PolarHBondContact OE1-NH2 3.21Å; E460-R595 IonicContact OE2-NH2 3.79Å; E460-R595 PolarHBondContact OE2-NH2 3Å; F592-R595 HydrophobicContact CB-CB 4.27Å; F592-R595 HydrophobicContact CB-CG 4.32Å; F592-R595 PolarHBondContact O-N 2.82Å; P593-R595 VanDerWaalsContact C-N 3.33Å; R595-V597 HydrophobicContact CB-CG2 4.45Å; R595-K674 HydrophobicContact CG-CB 4.14Å; R595-A675 VanDerWaalsContact CD-O 3.31Å; R595-A675 WeakPolarHBondContact CD-O 3.32Å; R595-A675 PolarHBondContact NH1-O 3.47Å; R595-I677 HydrophobicContact CB-CG1 4.22Å
596	L	95.6	Very high	91.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.113	C	C	.	.			trans	-80.9	121.4	164.7	-173.9	64.8	0	0	0	108.2	V626 T628 A631 Y633 N665 V676 I677	L596-V626 HydrophobicContact CD2-CB 4.17Å; L596-V626 HydrophobicContact CD2-CG1 4.42Å; L596-V626 VanDerWaalsContact CD2-O 3.24Å; L596-V626 WeakPolarHBondContact CD2-O 3.4Å; L596-V626 HydrophobicContact CG-CB 4.24Å; L596-V626 HydrophobicContact CG-CG1 4.24Å; L596-T628 HydrophobicContact CD1-CG2 4.24Å; L596-T628 HydrophobicContact CD2-CG2 4.13Å; L596-A631 HydrophobicContact CD1-CB 3.65Å; L596-A631 HydrophobicContact CG-CB 4.17Å; L596-Y633 HydrophobicContact CD1-CD1 4.03Å; L596-Y633 HydrophobicContact CD1-CG 4.21Å; L596-N665 WeakPolarHBondContact CD2-ND2 3.43Å; L596-N665 WeakPolarHBondContact CD2-OD1 3.48Å; L596-V676 HydrophobicContact CB-CG1 4.08Å; L596-V676 WeakPolarHBondContact O-CA 3.4Å; L596-V676 WeakPolarHBondContact O-CB 3.32Å; L596-I677 PolarHBondContact O-N 2.87Å
597	V	96.6	Very high	91.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.9	-174.1	-178.1	0	0	0	0	109.3	V588 W589 F592 R595 A631 F632 I677 V679	V588-V597 HydrophobicContact CB-CG1 4.06Å; V588-V597 HydrophobicContact CG1-CG1 3.72Å; W589-V597 HydrophobicContact CB-CB 4.14Å; W589-V597 HydrophobicContact CB-CG1 4.46Å; W589-V597 HydrophobicContact CB-CG2 4.15Å; F592-V597 HydrophobicContact CB-CG2 4.35Å; R595-V597 HydrophobicContact CB-CG2 4.45Å; V597-A631 CarbonylContact O-C 3.59Å; V597-A631 WeakPolarHBondContact O-CA 3.47Å; V597-F632 HydrophobicContact CB-CB 4.48Å; V597-F632 PolarHBondContact N-O 3.46Å; V597-F632 PolarHBondContact O-N 2.7Å; V597-I677 WeakPolarHBondContact CA-O 3.43Å; V597-I677 HydrophobicContact CB-CB 4.46Å; V597-I677 HydrophobicContact CG1-CB 4.26Å; V597-I677 HydrophobicContact CG1-CG2 4.37Å; V597-I677 HydrophobicContact CG2-CB 4Å; V597-I677 HydrophobicContact CG2-CG1 4.26Å; V597-V679 HydrophobicContact CG1-CG1 3.55Å
598	G	94.7	Very high	90.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-170.2	-176.8	0	0	0	0	0	116.9	I677 V679	G598-I677 PolarHBondContact N-O 2.87Å; G598-V679 WeakPolarHBondContact O-CG2 3.17Å; G598-V679 PolarHBondContact O-N 2.89Å
599	Y	92.4	Very high	90.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-99.6	-47.7	-159.7	-45.6	-96.1	0	0	0	114.3	L577 E581 L582 G601 A630 F632 K678 V679 T680 F685	L577-Y599 HydrophobicContact CD1-CD2 3.91Å; L577-Y599 HydrophobicContact CD1-CE2 3.96Å; L577-Y599 HydrophobicContact CD1-CG 4.41Å; L577-Y599 HydrophobicContact CD2-CD1 3.63Å; L577-Y599 HydrophobicContact CD2-CD2 4.11Å; L577-Y599 HydrophobicContact CD2-CE1 3.82Å; L577-Y599 HydrophobicContact CD2-CE2 4.29Å; L577-Y599 HydrophobicContact CD2-CG 3.82Å; E581-Y599 VanDerWaalsContact C-OH 3.31Å; E581-Y599 HydrophobicContact CB-CE1 4.08Å; E581-Y599 WeakPolarHBondContact O-CE1 3.45Å; E581-Y599 PolarHBondContact O-OH 3.24Å; L582-Y599 WeakPolarHBondContact CA-OH 3.5Å; L582-Y599 HydrophobicContact CD2-CE2 4.34Å; Y599-G601 PolarHBondContact O-N 3.25Å; Y599-G601 VanDerWaalsContact O-N 3.13Å; Y599-A630 HydrophobicContact CD2-CB 3.69Å; Y599-A630 VanDerWaalsContact CD2-O 3.31Å; Y599-A630 WeakPolarHBondContact CD2-O 3.13Å; Y599-A630 HydrophobicContact CE2-CB 4.4Å; Y599-A630 PolarHBondContact N-O 3.24Å; Y599-F632 HydrophobicContact CE2-CE2 4.49Å; Y599-K678 WeakPolarHBondContact O-CD 3.49Å; Y599-K678 WeakPolarHBondContact O-CE 3.44Å; Y599-K678 PolarHBondContact O-NZ 3.16Å; Y599-V679 HydrophobicContact CD1-CG2 3.69Å; Y599-V679 HydrophobicContact CE1-CG2 3.57Å; Y599-V679 HydrophobicContact CE2-CG2 4.41Å; Y599-V679 HydrophobicContact CG-CG2 4.15Å; Y599-T680 HydrophobicContact CD1-CG2 4.19Å; Y599-T680 HydrophobicContact CE1-CG2 4.01Å; Y599-F685 HydrophobicContact CG-CZ 4.21Å
600	P	90.3	Very high	89.8	Confident	9 Å²	9	47.4 Å²	47.4	6%	0.058	22%	0.222	C	C	.	.			trans	-83.3	96.1	-178.4	4.8	13.1	0	0	0	110	V626 L627 A630 F685	P600-V626 WeakPolarHBondContact O-CA 3.31Å; P600-L627 HydrophobicContact CB-CB 4.05Å; P600-L627 HydrophobicContact CB-CD1 4.36Å; P600-L627 HydrophobicContact CB-CG 4.14Å; P600-L627 HydrophobicContact CG-CB 4.04Å; P600-L627 PolarHBondContact O-N 2.88Å; P600-A630 WeakPolarHBondContact CD-O 3.38Å; P600-A630 HydrophobicContact CG-CB 4.37Å; P600-F685 HydrophobicContact CB-CE2 4.32Å; P600-F685 HydrophobicContact CG-CD2 4.1Å; P600-F685 HydrophobicContact CG-CE2 3.79Å
601	G	90.3	Very high	89.7	Confident	9 Å²	9	51.6 Å²	51.6	9%	0.093	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	144.4	175.1	0	0	0	0	0	112.8	Y599 M625	Y599-G601 PolarHBondContact O-N 3.25Å; Y599-G601 VanDerWaalsContact O-N 3.13Å; G601-M625 CarbonylContact C-O 3.4Å; G601-M625 WeakPolarHBondContact CA-O 3.39Å
602	R	92.4	Very high	89.9	Confident	42 Å²	42	52.1 Å²	52.1	16%	0.158	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	165	176	-65.7	-64.3	-176.4	-82.4	-6.7	111.1	Y615 S624 M625 L627	R602-Y615 HydrophobicContact CB-CE2 4.07Å; R602-Y615 WeakPolarHBondContact CD-OH 3.49Å; R602-Y615 HydrophobicContact CG-CE2 4.05Å; R602-Y615 WeakPolarHBondContact CG-OH 3.42Å; R602-Y615 PolarHBondContact NE-OH 3.34Å; R602-S624 PolarHBondContact O-N 3.49Å; R602-M625 HydrophobicContact CB-CB 4.22Å; R602-M625 HydrophobicContact CB-CE 4.34Å; R602-M625 PolarHBondContact N-O 3.27Å; R602-M625 PolarHBondContact O-N 3.24Å; R602-L627 HydrophobicContact CB-CD2 4.25Å; R602-L627 HydrophobicContact CG-CD1 4.05Å; R602-L627 HydrophobicContact CG-CD2 3.59Å; R602-L627 HydrophobicContact CG-CG 3.84Å
603	L	91.8	Very high	90.1	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.7	-175.3	-172	58.6	0	0	0	111.2	L605 E616 T620 E622 S624 M625 V724	L603-L605 HydrophobicContact CD2-CD2 3.62Å; L603-L605 HydrophobicContact CD2-CG 4.07Å; L603-L605 HydrophobicContact CG-CD2 3.93Å; L603-L605 HydrophobicContact CG-CG 4.12Å; L603-E616 HydrophobicContact CB-CB 4.27Å; L603-E616 PolarHBondContact N-O 2.91Å; L603-E616 PolarHBondContact O-N 3.4Å; L603-T620 HydrophobicContact CD2-CG2 4.29Å; L603-E622 HydrophobicContact CD1-CB 4.08Å; L603-E622 HydrophobicContact CD2-CB 4.01Å; L603-S624 WeakPolarHBondContact CA-OG 3.31Å; L603-M625 WeakPolarHBondContact O-CE 3.47Å; L603-V724 HydrophobicContact CD1-CB 4.49Å; L603-V724 HydrophobicContact CD1-CG1 3.87Å; L603-V724 HydrophobicContact CD1-CG2 3.91Å
604	H	93.3	Very high	90.2	Very high	9 Å²	9	56.4 Å²	56.4	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136	162.5	73.1	-62.5	0	0	0	107.6	W613 K614 S624 M625 I710 M720 L722	H604-W613 AromaticContact CD2-CE3 3.55Å; H604-W613 AromaticContact CD2-CZ3 3.59Å; H604-W613 AromaticContact NE2-CZ3 3.94Å; H604-K614 WeakPolarHBondContact CA-O 3.38Å; H604-S624 PolarHBondContact N-OG 3.05Å; H604-S624 WeakPolarHBondContact ND1-CB 3.42Å; H604-S624 PolarHBondContact ND1-OG 3.07Å; H604-M625 HydrophobicContact CB-CE 4.12Å; H604-I710 HydrophobicContact CB-CD1 4.03Å; H604-I710 HydrophobicContact CB-CG2 4.44Å; H604-M720 WeakPolarHBondContact NE2-CG 3.4Å; H604-L722 HydrophobicContact CB-CD1 4.08Å; H604-L722 VanDerWaalsContact CE1-CB 3.44Å; H604-L722 WeakPolarHBondContact CE1-CB 3.44Å; H604-L722 PolarHBondContact CE1-O 3.16Å
605	L	90.9	Very high	90.5	Very high	64 Å²	64	56.1 Å²	56.1	34%	0.335	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.8	179.4	-68.3	176.9	0	0	0	109.7	L603 W613 K614 E616	L603-L605 HydrophobicContact CD2-CD2 3.62Å; L603-L605 HydrophobicContact CD2-CG 4.07Å; L603-L605 HydrophobicContact CG-CD2 3.93Å; L603-L605 HydrophobicContact CG-CG 4.12Å; L605-W613 CarbonylContact O-C 3.33Å; L605-W613 WeakPolarHBondContact O-CA 3.04Å; L605-K614 PolarHBondContact N-O 3.21Å; L605-K614 PolarHBondContact O-N 3.34Å; L605-E616 HydrophobicContact CD1-CB 3.88Å; L605-E616 HydrophobicContact CD1-CG 3.93Å; L605-E616 HydrophobicContact CG-CB 4.24Å
606	W	90	Very high	90.4	Very high	89 Å²	89	55.9 Å²	55.9	34%	0.337	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.3	168.6	-175	-106	0	0	0	109.5	H608 N611 W613	W606-H608 AromaticContact CD1-CD2 3.86Å; W606-H608 AromaticContact CD1-CE1 3.61Å; W606-H608 AromaticContact CD1-CG 3.79Å; W606-H608 AromaticContact CD1-ND1 3.63Å; W606-H608 AromaticContact CD1-NE2 3.75Å; W606-H608 AromaticContact NE1-ND1 3.88Å; W606-H608 PolarHBondContact O-N 3.2Å; W606-N611 VanDerWaalsContact CH2-C 3.44Å; W606-N611 VanDerWaalsContact CH2-O 3.3Å; W606-N611 WeakPolarHBondContact CH2-O 3.37Å; W606-N611 HydrophobicContact CZ2-CB 4.31Å; W606-N611 WeakPolarHBondContact CZ2-OD1 3.35Å; W606-W613 HydrophobicContact CB-CE3 4.08Å; W606-W613 HydrophobicContact CB-CH2 4.33Å; W606-W613 HydrophobicContact CB-CZ3 3.78Å; W606-W613 AromaticContact CE3-CD2 3.47Å; W606-W613 HydrophobicContact CE3-CD2 3.47Å; W606-W613 VanDerWaalsContact CE3-CD2 3.47Å; W606-W613 AromaticContact CE3-CE2 3.44Å; W606-W613 VanDerWaalsContact CE3-CE2 3.44Å; W606-W613 AromaticContact CE3-CE3 3.82Å; W606-W613 HydrophobicContact CE3-CE3 3.82Å; W606-W613 AromaticContact CE3-CG 3.9Å; W606-W613 HydrophobicContact CE3-CG 3.9Å; W606-W613 HydrophobicContact CE3-CH2 4.11Å; W606-W613 AromaticContact CE3-CZ2 3.78Å; W606-W613 HydrophobicContact CE3-CZ2 3.78Å; W606-W613 HydrophobicContact CE3-CZ3 4.13Å; W606-W613 AromaticContact CE3-NE1 3.82Å; W606-W613 AromaticContact CZ3-CD1 3.76Å; W606-W613 AromaticContact CZ3-CD2 3.95Å; W606-W613 HydrophobicContact CZ3-CD2 3.95Å; W606-W613 AromaticContact CZ3-CE2 3.64Å; W606-W613 HydrophobicContact CZ3-CG 4.03Å; W606-W613 HydrophobicContact CZ3-CZ2 4.16Å; W606-W613 AromaticContact CZ3-NE1 3.51Å
607	D	86.4	Confident	89.8	Confident	42 Å²	42	57.8 Å²	57.8	23%	0.225	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	109.1	170.9	-169.6	-44.4	0	0	0	108.6	E609 M610 N611 K612	D607-E609 VanDerWaalsContact C-N 3.31Å; D607-E609 WeakPolarHBondContact OD1-CA 3.49Å; D607-E609 WeakPolarHBondContact OD1-CB 3.26Å; D607-E609 PolarHBondContact OD1-N 3.38Å; D607-M610 HydrophobicContact CB-CB 4.27Å; D607-M610 PolarHBondContact OD1-N 2.83Å; D607-N611 VanDerWaalsContact O-CA 3.26Å; D607-N611 WeakPolarHBondContact O-CA 3.33Å; D607-N611 PolarHBondContact O-N 2.91Å; D607-K612 WeakPolarHBondContact CB-O 3.31Å; D607-K612 PolarHBondContact N-O 2.77Å; D607-K612 PolarHBondContact O-N 2.71Å
608	H	83.6	Confident	88.8	Confident	162 Å²	162	64.5 Å²	64.5	75%	0.75	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.3	179.9	-76	-84	0	0	0	113.6	W606	W606-H608 AromaticContact CD1-CD2 3.86Å; W606-H608 AromaticContact CD1-CE1 3.61Å; W606-H608 AromaticContact CD1-CG 3.79Å; W606-H608 AromaticContact CD1-ND1 3.63Å; W606-H608 AromaticContact CD1-NE2 3.75Å; W606-H608 AromaticContact NE1-ND1 3.88Å; W606-H608 PolarHBondContact O-N 3.2Å
609	E	84.7	Confident	87.5	Confident	187 Å²	187	68.9 Å²	68.9	87%	0.874	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-42.6	178.3	-59.2	-173.2	175.4	0	0	110.6	D607	D607-E609 VanDerWaalsContact C-N 3.31Å; D607-E609 WeakPolarHBondContact OD1-CA 3.49Å; D607-E609 WeakPolarHBondContact OD1-CB 3.26Å; D607-E609 PolarHBondContact OD1-N 3.38Å
610	M	82.9	Confident	86.7	Confident	133 Å²	133	71.8 Å²	71.8	66%	0.655	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-10.1	179.3	-57.1	-158.8	-172	0	0	113.9	D607 K612	D607-M610 HydrophobicContact CB-CB 4.27Å; D607-M610 PolarHBondContact OD1-N 2.83Å; M610-K612 VanDerWaalsContact C-N 3.28Å; M610-K612 HydrophobicContact CB-CB 4.41Å; M610-K612 PolarHBondContact O-N 3.35Å
611	N	86.3	Confident	86.3	Confident	116 Å²	116	77.6 Å²	77.6	62%	0.62	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	46.1	-175.9	-165.4	83.2	0	0	0	112	W606 D607	W606-N611 VanDerWaalsContact CH2-C 3.44Å; W606-N611 VanDerWaalsContact CH2-O 3.3Å; W606-N611 WeakPolarHBondContact CH2-O 3.37Å; W606-N611 HydrophobicContact CZ2-CB 4.31Å; W606-N611 WeakPolarHBondContact CZ2-OD1 3.35Å; D607-N611 VanDerWaalsContact O-CA 3.26Å; D607-N611 WeakPolarHBondContact O-CA 3.33Å; D607-N611 PolarHBondContact O-N 2.91Å
612	K	90.3	Very high	86.1	Confident	125 Å²	125	80.8 Å²	80.8	54%	0.543	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	160.6	-174.2	-78.8	-179.2	-179.7	-179	0	110.9	D607 M610	D607-K612 WeakPolarHBondContact CB-O 3.31Å; D607-K612 PolarHBondContact N-O 2.77Å; D607-K612 PolarHBondContact O-N 2.71Å; M610-K612 VanDerWaalsContact C-N 3.28Å; M610-K612 HydrophobicContact CB-CB 4.41Å; M610-K612 PolarHBondContact O-N 3.35Å
613	W	92	Very high	86.1	Confident	65 Å²	65	79.5 Å²	79.5	25%	0.246	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.9	169.4	-60.4	102	0	0	0	111.4	H604 L605 W606 I710 N711 M720	H604-W613 AromaticContact CD2-CE3 3.55Å; H604-W613 AromaticContact CD2-CZ3 3.59Å; H604-W613 AromaticContact NE2-CZ3 3.94Å; L605-W613 CarbonylContact O-C 3.33Å; L605-W613 WeakPolarHBondContact O-CA 3.04Å; W606-W613 HydrophobicContact CB-CE3 4.08Å; W606-W613 HydrophobicContact CB-CH2 4.33Å; W606-W613 HydrophobicContact CB-CZ3 3.78Å; W606-W613 AromaticContact CE3-CD2 3.47Å; W606-W613 HydrophobicContact CE3-CD2 3.47Å; W606-W613 VanDerWaalsContact CE3-CD2 3.47Å; W606-W613 AromaticContact CE3-CE2 3.44Å; W606-W613 VanDerWaalsContact CE3-CE2 3.44Å; W606-W613 AromaticContact CE3-CE3 3.82Å; W606-W613 HydrophobicContact CE3-CE3 3.82Å; W606-W613 AromaticContact CE3-CG 3.9Å; W606-W613 HydrophobicContact CE3-CG 3.9Å; W606-W613 HydrophobicContact CE3-CH2 4.11Å; W606-W613 AromaticContact CE3-CZ2 3.78Å; W606-W613 HydrophobicContact CE3-CZ2 3.78Å; W606-W613 HydrophobicContact CE3-CZ3 4.13Å; W606-W613 AromaticContact CE3-NE1 3.82Å; W606-W613 AromaticContact CZ3-CD1 3.76Å; W606-W613 AromaticContact CZ3-CD2 3.95Å; W606-W613 HydrophobicContact CZ3-CD2 3.95Å; W606-W613 AromaticContact CZ3-CE2 3.64Å; W606-W613 HydrophobicContact CZ3-CG 4.03Å; W606-W613 HydrophobicContact CZ3-CZ2 4.16Å; W606-W613 AromaticContact CZ3-NE1 3.51Å; W613-I710 HydrophobicContact CB-CB 4.4Å; W613-I710 HydrophobicContact CB-CG2 3.49Å; W613-I710 VanDerWaalsContact CB-CG2 3.49Å; W613-I710 HydrophobicContact CG-CG2 4.04Å; W613-N711 PolarHBondContact N-OD1 2.88Å; W613-N711 PolarHBondContact O-ND2 2.96Å; W613-M720 HydrophobicContact CB-CE 4.24Å; W613-M720 VanDerWaalsContact CD1-CE 3.48Å; W613-M720 HydrophobicContact CD2-CE 3.42Å; W613-M720 VanDerWaalsContact CD2-CE 3.42Å; W613-M720 VanDerWaalsContact CE2-CE 3.49Å; W613-M720 HydrophobicContact CE3-CE 4.11Å; W613-M720 HydrophobicContact CG-CE 3.45Å; W613-M720 VanDerWaalsContact CG-CE 3.45Å; W613-M720 HydrophobicContact CH2-CB 4.25Å; W613-M720 HydrophobicContact CH2-CG 4.09Å; W613-M720 HydrophobicContact CZ2-CB 3.67Å; W613-M720 HydrophobicContact CZ2-CE 4.22Å; W613-M720 HydrophobicContact CZ2-CG 3.91Å; W613-M720 HydrophobicContact CZ3-CG 4.49Å
614	K	91.9	Very high	86.2	Confident	88 Å²	88	79.5 Å²	79.5	38%	0.383	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.2	175.7	-174.1	-167	176.1	-154.7	0	109.6	H604 L605 E616	H604-K614 WeakPolarHBondContact CA-O 3.38Å; L605-K614 PolarHBondContact N-O 3.21Å; L605-K614 PolarHBondContact O-N 3.34Å; K614-E616 IonicContact NZ-OE2 3.48Å; K614-E616 PolarHBondContact NZ-OE2 2.82Å
615	Y	93	Very high	86.3	Confident	10 Å²	10	79.1 Å²	79.1	4%	0.039	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.6	166.6	173.9	-93.9	0	0	0	109.3	R602 M625 I662 M703 R706 S707 I710	R602-Y615 HydrophobicContact CB-CE2 4.07Å; R602-Y615 WeakPolarHBondContact CD-OH 3.49Å; R602-Y615 HydrophobicContact CG-CE2 4.05Å; R602-Y615 WeakPolarHBondContact CG-OH 3.42Å; R602-Y615 PolarHBondContact NE-OH 3.34Å; Y615-M625 HydrophobicContact CD2-CE 3.97Å; Y615-M625 HydrophobicContact CE2-CE 4.29Å; Y615-I662 HydrophobicContact CD2-CD1 3.91Å; Y615-I662 HydrophobicContact CE2-CD1 4.12Å; Y615-M703 HydrophobicContact CD1-SD 4.02Å; Y615-M703 HydrophobicContact CE1-SD 3.62Å; Y615-R706 HydrophobicContact CD1-CB 3.95Å; Y615-R706 HydrophobicContact CD2-CB 4.1Å; Y615-R706 HydrophobicContact CE1-CB 4.39Å; Y615-R706 HydrophobicContact CG-CB 3.77Å; Y615-R706 PolarHBondContact OH-NH1 2.86Å; Y615-S707 PolarHBondContact N-OG 3.48Å; Y615-I710 HydrophobicContact CD2-CD1 4.1Å; Y615-I710 HydrophobicContact CG-CD1 4.38Å
616	E	88.2	Confident	86.5	Confident	22 Å²	22	76 Å²	76	10%	0.103	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.9	178.2	-169.2	51.9	-95.1	0	0	111.9	L603 L605 K614 E618	L603-E616 HydrophobicContact CB-CB 4.27Å; L603-E616 PolarHBondContact N-O 2.91Å; L603-E616 PolarHBondContact O-N 3.4Å; L605-E616 HydrophobicContact CD1-CB 3.88Å; L605-E616 HydrophobicContact CD1-CG 3.93Å; L605-E616 HydrophobicContact CG-CB 4.24Å; K614-E616 IonicContact NZ-OE2 3.48Å; K614-E616 PolarHBondContact NZ-OE2 2.82Å; E616-E618 HydrophobicContact CG-CB 4.2Å; E616-E618 PolarHBondContact OE1-N 3Å
617	S	84	Confident	86.7	Confident	39 Å²	39	72.7 Å²	72.7	27%	0.273	35%	0.35	S	S	.	.			trans	-115.9	-6.6	-177.9	73.2	0	0	0	0	113.6
618	E	75.8	Confident	87.1	Confident	141 Å²	141	70.7 Å²	70.7	66%	0.659	34%	0.339	S	S	*	.	S	Bend	trans	-65.8	164	169.7	-71	-163.8	168.5	0	0	113.4	E616 T620	E616-E618 HydrophobicContact CG-CB 4.2Å; E616-E618 PolarHBondContact OE1-N 3Å; E618-T620 PolarHBondContact O-N 3.46Å
619	W	67.7	Low	87.4	Confident	93 Å²	93	63.1 Å²	63.1	35%	0.352	31%	0.305	S	S	.	.			trans	-101.7	74.9	-167.2	-51	98.6	0	0	0	112.2	K683 K684	W619-K683 HydrophobicContact CB-CD 4.26Å; W619-K683 HydrophobicContact CD2-CB 4.07Å; W619-K683 HydrophobicContact CD2-CD 3.82Å; W619-K683 HydrophobicContact CD2-CG 4.13Å; W619-K683 HydrophobicContact CE3-CB 3.59Å; W619-K683 HydrophobicContact CE3-CD 3.64Å; W619-K683 HydrophobicContact CE3-CG 3.5Å; W619-K683 HydrophobicContact CG-CD 4.06Å; W619-K683 VanDerWaalsContact CH2-C 3.48Å; W619-K683 HydrophobicContact CH2-CB 3.87Å; W619-K683 WeakPolarHBondContact CH2-O 3.28Å; W619-K683 HydrophobicContact CZ2-CB 4.32Å; W619-K683 HydrophobicContact CZ3-CB 3.47Å; W619-K683 VanDerWaalsContact CZ3-CB 3.47Å; W619-K683 HydrophobicContact CZ3-CD 4.41Å; W619-K683 HydrophobicContact CZ3-CG 3.8Å; W619-K683 VanDerWaalsContact CZ3-O 3.31Å; W619-K683 WeakPolarHBondContact CZ3-O 3.24Å; W619-K684 HydrophobicContact CH2-CG 3.9Å; W619-K684 HydrophobicContact CZ2-CD 4.1Å; W619-K684 VanDerWaalsContact CZ2-CE 3.41Å; W619-K684 HydrophobicContact CZ2-CG 3.49Å; W619-K684 VanDerWaalsContact CZ2-CG 3.49Å
620	T	74.7	Confident	87.9	Confident	60 Å²	60	54.2 Å²	54.2	37%	0.368	26%	0.263	S	S	.	.			trans	-76.9	176.7	166.7	63.3	0	0	0	0	110.9	L603 E618 E622	L603-T620 HydrophobicContact CD2-CG2 4.29Å; E618-T620 PolarHBondContact O-N 3.46Å; T620-E622 PolarHBondContact OG1-N 3.38Å; T620-E622 PolarHBondContact OG1-O 3Å; T620-E622 VanDerWaalsContact OG1-O 3.05Å
621	N	81.3	Confident	88.6	Confident	132 Å²	132	47.9 Å²	47.9	71%	0.706	23%	0.232	S	C	*	.	S	Bend	trans	-79.5	-12.1	166.7	-67.5	-28.2	0	0	0	112
622	E	87.9	Confident	89.1	Confident	76 Å²	76	42.3 Å²	42.3	36%	0.355	20%	0.203	S	C	.	.			trans	-88.6	139.1	-177.9	-66	176.5	131.1	0	0	111.4	L603 T620 V724 E726	L603-E622 HydrophobicContact CD1-CB 4.08Å; L603-E622 HydrophobicContact CD2-CB 4.01Å; T620-E622 PolarHBondContact OG1-N 3.38Å; T620-E622 PolarHBondContact OG1-O 3Å; T620-E622 VanDerWaalsContact OG1-O 3.05Å; E622-V724 HydrophobicContact CB-CG1 3.68Å; E622-V724 HydrophobicContact CG-CG1 3.89Å; E622-E726 HydrophobicContact CG-CG 3.82Å
623	V	91.6	Very high	89.4	Confident	15 Å²	15	36.4 Å²	36.4	9%	0.091	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-133.9	141.4	173.3	169.4	0	0	0	0	108.4	M625 V676 K678 V725	V623-M625 WeakPolarHBondContact CG1-O 3.4Å; V623-V676 HydrophobicContact CG1-CG2 3.6Å; V623-K678 HydrophobicContact CG2-CB 4.45Å; V623-V725 PolarHBondContact N-O 2.87Å; V623-V725 WeakPolarHBondContact O-CG2 3.35Å; V623-V725 PolarHBondContact O-N 3.32Å
624	S	93.8	Very high	89.5	Confident	2 Å²	2	34 Å²	34	1%	0.014	17%	0.169	C	C	.	.	S	Bend	trans	-129.2	-12.6	168.9	66	0	0	0	0	113.5	R602 L603 H604 K723	R602-S624 PolarHBondContact O-N 3.49Å; L603-S624 WeakPolarHBondContact CA-OG 3.31Å; H604-S624 PolarHBondContact N-OG 3.05Å; H604-S624 WeakPolarHBondContact ND1-CB 3.42Å; H604-S624 PolarHBondContact ND1-OG 3.07Å; S624-K723 WeakPolarHBondContact CA-O 3.49Å; S624-K723 WeakPolarHBondContact CB-O 3.37Å
625	M	95.6	Very high	89.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.6	179.2	-67.7	174.7	-75.8	0	0	110.9	G601 R602 L603 H604 Y615 V623 I662 N665 I710 L722	G601-M625 CarbonylContact C-O 3.4Å; G601-M625 WeakPolarHBondContact CA-O 3.39Å; R602-M625 HydrophobicContact CB-CB 4.22Å; R602-M625 HydrophobicContact CB-CE 4.34Å; R602-M625 PolarHBondContact N-O 3.27Å; R602-M625 PolarHBondContact O-N 3.24Å; L603-M625 WeakPolarHBondContact O-CE 3.47Å; H604-M625 HydrophobicContact CB-CE 4.12Å; Y615-M625 HydrophobicContact CD2-CE 3.97Å; Y615-M625 HydrophobicContact CE2-CE 4.29Å; V623-M625 WeakPolarHBondContact CG1-O 3.4Å; M625-I662 HydrophobicContact SD-CG1 4.17Å; M625-I662 HydrophobicContact SD-CG2 4.16Å; M625-N665 WeakPolarHBondContact CA-OD1 3.4Å; M625-N665 HydrophobicContact CB-CB 4.34Å; M625-N665 WeakPolarHBondContact CB-OD1 3.47Å; M625-N665 HydrophobicContact CG-CB 3.88Å; M625-I710 HydrophobicContact CE-CD1 4.03Å; M625-L722 HydrophobicContact CE-CD1 4.19Å; M625-L722 HydrophobicContact CG-CD1 3.72Å; M625-L722 HydrophobicContact CG-CD2 3.98Å; M625-L722 HydrophobicContact CG-CG 4.49Å; M625-L722 HydrophobicContact SD-CD1 3.64Å
626	V	94.5	Very high	89.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.5	168.4	160.6	0	0	0	0	107.5	L596 P600 T628 A631 N665 V676	L596-V626 HydrophobicContact CD2-CB 4.17Å; L596-V626 HydrophobicContact CD2-CG1 4.42Å; L596-V626 VanDerWaalsContact CD2-O 3.24Å; L596-V626 WeakPolarHBondContact CD2-O 3.4Å; L596-V626 HydrophobicContact CG-CB 4.24Å; L596-V626 HydrophobicContact CG-CG1 4.24Å; P600-V626 WeakPolarHBondContact O-CA 3.31Å; V626-T628 PolarHBondContact O-N 3.04Å; V626-A631 HydrophobicContact CG1-CB 3.75Å; V626-N665 PolarHBondContact N-OD1 3.16Å; V626-N665 PolarHBondContact O-ND2 3.27Å; V626-N665 PolarHBondContact O-OD1 3.22Å; V626-V676 HydrophobicContact CB-CB 4.29Å; V626-V676 HydrophobicContact CB-CG1 4.47Å; V626-V676 HydrophobicContact CB-CG2 4.49Å; V626-V676 HydrophobicContact CG2-CB 3.91Å; V626-V676 HydrophobicContact CG2-CG2 3.83Å
627	L	93.9	Very high	89.9	Confident	18 Å²	18	35.4 Å²	35.4	9%	0.094	17%	0.173	C	C	.	.			trans	-74.5	130.1	-179.5	-50.4	-169	0	0	0	110.6	P600 R602 G629 A630 D661	P600-L627 HydrophobicContact CB-CB 4.05Å; P600-L627 HydrophobicContact CB-CD1 4.36Å; P600-L627 HydrophobicContact CB-CG 4.14Å; P600-L627 HydrophobicContact CG-CB 4.04Å; P600-L627 PolarHBondContact O-N 2.88Å; R602-L627 HydrophobicContact CB-CD2 4.25Å; R602-L627 HydrophobicContact CG-CD1 4.05Å; R602-L627 HydrophobicContact CG-CD2 3.59Å; R602-L627 HydrophobicContact CG-CG 3.84Å; L627-G629 PolarHBondContact O-N 3.21Å; L627-G629 VanDerWaalsContact O-N 3.07Å; L627-A630 PolarHBondContact O-N 3.12Å; L627-D661 HydrophobicContact CD2-CB 4.49Å; L627-D661 VanDerWaalsContact CD2-OD2 3.31Å; L627-D661 WeakPolarHBondContact CD2-OD2 3.19Å
628	T	94.5	Very high	90.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-5.1	-177.3	49.4	0	0	0	0	114.1	R555 F556 A569 L596 V626 A630 D661 M664	R555-T628 PolarHBondContact NH1-O 2.81Å; R555-T628 PolarHBondContact NH2-OG1 2.63Å; R555-T628 VanDerWaalsContact NH2-OG1 3.08Å; F556-T628 HydrophobicContact CE1-CG2 4.12Å; F556-T628 HydrophobicContact CZ-CG2 3.93Å; F556-T628 WeakPolarHBondContact CZ-OG1 3.43Å; A569-T628 CarbonylContact C-O 3.55Å; A569-T628 WeakPolarHBondContact CB-O 3.49Å; L596-T628 HydrophobicContact CD1-CG2 4.24Å; L596-T628 HydrophobicContact CD2-CG2 4.13Å; V626-T628 PolarHBondContact O-N 3.04Å; T628-A630 PolarHBondContact O-N 2.92Å; T628-D661 HydrophobicContact CG2-CB 4.49Å; T628-D661 WeakPolarHBondContact OG1-CA 3.47Å; T628-D661 VanDerWaalsContact OG1-CB 3.24Å; T628-D661 WeakPolarHBondContact OG1-CB 3.38Å; T628-M664 HydrophobicContact CG2-CB 3.94Å; T628-M664 HydrophobicContact CG2-CG 3.85Å
629	G	91.7	Very high	91.3	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.5	168.3	0	0	0	0	0	114.7	I570 D571 L627	I570-G629 CarbonylContact C-O 3.29Å; I570-G629 VanDerWaalsContact CA-O 3.26Å; I570-G629 WeakPolarHBondContact CA-O 3.42Å; D571-G629 PolarHBondContact N-O 3.25Å; D571-G629 WeakPolarHBondContact OD1-CA 3.45Å; D571-G629 WeakPolarHBondContact OD2-CA 3.34Å; L627-G629 PolarHBondContact O-N 3.21Å; L627-G629 VanDerWaalsContact O-N 3.07Å
630	A	94.4	Very high	92.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	89.2	158.8	0	0	0	0	0	109.3	A569 I574 L577 Y599 P600 L627 T628	A569-A630 WeakPolarHBondContact O-CA 3.16Å; I574-A630 HydrophobicContact CG2-CB 4.38Å; L577-A630 HydrophobicContact CD1-CB 3.78Å; Y599-A630 HydrophobicContact CD2-CB 3.69Å; Y599-A630 VanDerWaalsContact CD2-O 3.31Å; Y599-A630 WeakPolarHBondContact CD2-O 3.13Å; Y599-A630 HydrophobicContact CE2-CB 4.4Å; Y599-A630 PolarHBondContact N-O 3.24Å; P600-A630 WeakPolarHBondContact CD-O 3.38Å; P600-A630 HydrophobicContact CG-CB 4.37Å; L627-A630 PolarHBondContact O-N 3.12Å; T628-A630 PolarHBondContact O-N 2.92Å
631	A	96.6	Very high	93.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	145.2	-179.2	0	0	0	0	0	114	L568 A569 L596 V597 V626	L568-A631 WeakPolarHBondContact CA-O 3.48Å; A569-A631 PolarHBondContact N-O 3.2Å; A569-A631 PolarHBondContact O-N 3.02Å; L596-A631 HydrophobicContact CD1-CB 3.65Å; L596-A631 HydrophobicContact CG-CB 4.17Å; V597-A631 CarbonylContact O-C 3.59Å; V597-A631 WeakPolarHBondContact O-CA 3.47Å; V626-A631 HydrophobicContact CG1-CB 3.75Å
632	F	97.6	Very high	94.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138	168.6	-68.3	-88.2	0	0	0	111.4	F489 V567 L568 L582 Y586 W589 V597 Y599	F489-F632 HydrophobicContact CB-CE1 4.34Å; F489-F632 AromaticContact CD1-CE1 3.87Å; F489-F632 HydrophobicContact CD1-CE1 3.87Å; F489-F632 AromaticContact CD2-CE1 3.81Å; F489-F632 HydrophobicContact CD2-CE1 3.81Å; F489-F632 HydrophobicContact CE1-CE1 4.03Å; F489-F632 HydrophobicContact CE1-CZ 4.3Å; F489-F632 AromaticContact CE2-CE1 3.98Å; F489-F632 HydrophobicContact CE2-CE1 3.98Å; F489-F632 HydrophobicContact CE2-CZ 4.38Å; F489-F632 AromaticContact CG-CE1 3.76Å; F489-F632 HydrophobicContact CG-CE1 3.76Å; F489-F632 HydrophobicContact CZ-CE1 4.09Å; F489-F632 HydrophobicContact CZ-CZ 4.21Å; V567-F632 CarbonylContact O-C 3.55Å; V567-F632 VanDerWaalsContact O-CA 3.26Å; V567-F632 WeakPolarHBondContact O-CA 3.16Å; L568-F632 HydrophobicContact CB-CD1 3.95Å; L568-F632 HydrophobicContact CB-CE1 3.7Å; L568-F632 HydrophobicContact CB-CZ 4.2Å; L568-F632 HydrophobicContact CD1-CD1 4.42Å; L568-F632 HydrophobicContact CD1-CD2 4.12Å; L568-F632 HydrophobicContact CD1-CE1 4.21Å; L568-F632 HydrophobicContact CD1-CE2 3.89Å; L568-F632 HydrophobicContact CD1-CG 4.38Å; L568-F632 HydrophobicContact CD1-CZ 3.94Å; L568-F632 HydrophobicContact CD2-CE1 4.42Å; L568-F632 HydrophobicContact CD2-CZ 4.15Å; L568-F632 HydrophobicContact CG-CE1 4.32Å; L568-F632 HydrophobicContact CG-CZ 4.31Å; L582-F632 WeakPolarHBondContact O-CE2 3.48Å; L582-F632 VanDerWaalsContact O-CZ 3.3Å; L582-F632 WeakPolarHBondContact O-CZ 3.34Å; Y586-F632 HydrophobicContact CD2-CD1 4.4Å; Y586-F632 HydrophobicContact CD2-CE1 4.24Å; Y586-F632 HydrophobicContact CG-CE1 4.46Å; W589-F632 HydrophobicContact CB-CB 3.66Å; W589-F632 HydrophobicContact CB-CG 4.31Å; W589-F632 HydrophobicContact CG-CB 3.77Å; V597-F632 HydrophobicContact CB-CB 4.48Å; V597-F632 PolarHBondContact N-O 3.46Å; V597-F632 PolarHBondContact O-N 2.7Å; Y599-F632 HydrophobicContact CE2-CE2 4.49Å
633	Y	96.3	Very high	94.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	165.1	175.1	58.3	-79	0	0	0	111.1	V567 A569 L596 F637 N638 M664	V567-Y633 HydrophobicContact CB-CD2 4.44Å; V567-Y633 HydrophobicContact CB-CE1 4.23Å; V567-Y633 HydrophobicContact CB-CE2 4.12Å; V567-Y633 HydrophobicContact CG1-CE1 3.93Å; V567-Y633 HydrophobicContact CG1-CE2 4.15Å; V567-Y633 WeakPolarHBondContact CG1-OH 3.21Å; V567-Y633 PolarHBondContact N-O 3.24Å; V567-Y633 PolarHBondContact O-N 3.33Å; A569-Y633 HydrophobicContact CB-CE1 3.67Å; L596-Y633 HydrophobicContact CD1-CD1 4.03Å; L596-Y633 HydrophobicContact CD1-CG 4.21Å; Y633-F637 HydrophobicContact CD2-CB 4.07Å; Y633-F637 HydrophobicContact CD2-CD2 4.45Å; Y633-N638 VanDerWaalsContact CE2-OD1 3.28Å; Y633-N638 WeakPolarHBondContact CE2-OD1 3.4Å; Y633-M664 HydrophobicContact CE2-CE 4.26Å
634	H	94.4	Very high	94.2	Very high	16 Å²	16	27.6 Å²	27.6	7%	0.074	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	136.4	178.2	-170.9	-104.3	0	0	0	112	L477 E565 W589 P593 Y636 F637	L477-H634 HydrophobicContact CD1-CB 4.2Å; L477-H634 WeakPolarHBondContact CD2-ND1 3.42Å; E565-H634 CarbonylContact O-C 3.57Å; E565-H634 WeakPolarHBondContact O-CA 3.34Å; E565-H634 PolarHBondContact O-CD2 3.38Å; W589-H634 HydrophobicContact CZ2-CB 3.97Å; W589-H634 AromaticContact CZ2-CD2 3.88Å; P593-H634 WeakPolarHBondContact O-CB 3.33Å; H634-Y636 WeakPolarHBondContact ND1-CB 3.3Å; H634-Y636 PolarHBondContact ND1-N 2.9Å; H634-Y636 PolarHBondContact O-N 3.34Å; H634-F637 HydrophobicContact CB-CD2 4.07Å; H634-F637 HydrophobicContact CB-CE2 4.04Å; H634-F637 VanDerWaalsContact O-CD2 3.3Å; H634-F637 WeakPolarHBondContact O-CD2 3.22Å; H634-F637 PolarHBondContact O-N 3.4Å
635	K	93.3	Very high	94.1	Very high	72 Å²	72	28.2 Å²	28.2	31%	0.313	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-21.9	-177.5	65.6	168.6	163.1	-167.9	0	115.3	I562 E563 T564 E565 V567 F637 N638	I562-K635 HydrophobicContact CG2-CB 3.89Å; I562-K635 HydrophobicContact CG2-CD 4.42Å; E563-K635 PolarHBondContact O-NZ 2.86Å; T564-K635 VanDerWaalsContact O-CD 3.25Å; T564-K635 WeakPolarHBondContact O-CD 3.29Å; E565-K635 PolarHBondContact O-N 2.91Å; V567-K635 HydrophobicContact CG2-CB 3.77Å; K635-F637 PolarHBondContact O-N 3.01Å; K635-N638 VanDerWaalsContact O-CB 3.28Å; K635-N638 WeakPolarHBondContact O-CB 3.16Å; K635-N638 PolarHBondContact O-N 2.86Å; K635-N638 VanDerWaalsContact O-N 3.09Å; K635-N638 PolarHBondContact O-OD1 2.91Å
636	Y	92.9	Very high	93.8	Very high	76 Å²	76	30.3 Å²	30.3	30%	0.298	13%	0.134	S	C	.	.	H	α-helix	trans	-59.8	-29.9	173.7	-177.3	-108.4	0	0	0	112.8	P476 L477 H634 N638 Y639 L640	P476-Y636 HydrophobicContact CB-CE1 4.05Å; P476-Y636 HydrophobicContact CG-CD1 4.24Å; P476-Y636 HydrophobicContact CG-CE1 3.37Å; L477-Y636 HydrophobicContact CD2-CD1 3.59Å; L477-Y636 HydrophobicContact CD2-CE1 4.34Å; L477-Y636 HydrophobicContact CD2-CG 3.71Å; L477-Y636 HydrophobicContact CG-CD1 4.25Å; H634-Y636 WeakPolarHBondContact ND1-CB 3.3Å; H634-Y636 PolarHBondContact ND1-N 2.9Å; H634-Y636 PolarHBondContact O-N 3.34Å; Y636-N638 VanDerWaalsContact C-N 3.29Å; Y636-N638 PolarHBondContact O-N 2.96Å; Y636-Y639 HydrophobicContact CE2-CD1 4.28Å; Y636-Y639 WeakPolarHBondContact O-CB 3.47Å; Y636-Y639 PolarHBondContact O-N 3.34Å; Y636-Y639 VanDerWaalsContact O-N 3.14Å; Y636-L640 HydrophobicContact CD1-CD1 3.85Å; Y636-L640 HydrophobicContact CD1-CG 3.88Å; Y636-L640 HydrophobicContact CE1-CD1 3.49Å; Y636-L640 VanDerWaalsContact CE1-CD1 3.49Å; Y636-L640 HydrophobicContact CE1-CD2 3.73Å; Y636-L640 HydrophobicContact CE1-CG 3.53Å; Y636-L640 PolarHBondContact O-N 3.37Å
637	F	95	Very high	93.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-69.3	-24.4	176	-59.5	-62.1	0	0	0	112.5	L477 Y633 H634 K635 L640 Y641 M664 V668 V671 T672	L477-F637 HydrophobicContact CD1-CE2 4.1Å; L477-F637 HydrophobicContact CD1-CZ 3.86Å; Y633-F637 HydrophobicContact CD2-CB 4.07Å; Y633-F637 HydrophobicContact CD2-CD2 4.45Å; H634-F637 HydrophobicContact CB-CD2 4.07Å; H634-F637 HydrophobicContact CB-CE2 4.04Å; H634-F637 VanDerWaalsContact O-CD2 3.3Å; H634-F637 WeakPolarHBondContact O-CD2 3.22Å; H634-F637 PolarHBondContact O-N 3.4Å; K635-F637 PolarHBondContact O-N 3.01Å; F637-L640 HydrophobicContact CD1-CD1 3.95Å; F637-L640 HydrophobicContact CE1-CD1 4.32Å; F637-L640 PolarHBondContact O-N 3.31Å; F637-Y641 WeakPolarHBondContact O-CB 3.4Å; F637-Y641 PolarHBondContact O-N 3.21Å; F637-M664 HydrophobicContact CB-CE 4.46Å; F637-M664 HydrophobicContact CB-SD 3.93Å; F637-V668 HydrophobicContact CD1-CG2 3.8Å; F637-V668 HydrophobicContact CD2-CG2 4.04Å; F637-V668 HydrophobicContact CE1-CB 4.38Å; F637-V668 HydrophobicContact CE1-CG1 4.35Å; F637-V668 HydrophobicContact CE1-CG2 3.91Å; F637-V668 HydrophobicContact CE2-CG1 4.4Å; F637-V668 HydrophobicContact CE2-CG2 4.13Å; F637-V668 HydrophobicContact CG-CG2 3.88Å; F637-V668 HydrophobicContact CZ-CB 4.49Å; F637-V668 HydrophobicContact CZ-CG1 4.01Å; F637-V668 HydrophobicContact CZ-CG2 4.07Å; F637-V671 HydrophobicContact CE1-CG1 4.25Å; F637-T672 HydrophobicContact CE1-CG2 4.31Å; F637-T672 HydrophobicContact CZ-CG2 3.96Å
638	N	95.9	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-47.5	166.7	-62.5	68	0	0	0	111.1	F556 F557 P558 Y633 K635 Y636 Y641 T642	F556-N638 CarbonylContact O-C 3.53Å; F556-N638 WeakPolarHBondContact O-CA 3.37Å; F556-N638 WeakPolarHBondContact O-CB 3.41Å; F556-N638 PolarHBondContact O-ND2 3.22Å; F556-N638 VanDerWaalsContact O-O 3.09Å; F557-N638 PolarHBondContact O-ND2 3.27Å; P558-N638 HydrophobicContact CB-CB 3.89Å; Y633-N638 VanDerWaalsContact CE2-OD1 3.28Å; Y633-N638 WeakPolarHBondContact CE2-OD1 3.4Å; K635-N638 VanDerWaalsContact O-CB 3.28Å; K635-N638 WeakPolarHBondContact O-CB 3.16Å; K635-N638 PolarHBondContact O-N 2.86Å; K635-N638 VanDerWaalsContact O-N 3.09Å; K635-N638 PolarHBondContact O-OD1 2.91Å; Y636-N638 VanDerWaalsContact C-N 3.29Å; Y636-N638 PolarHBondContact O-N 2.96Å; N638-Y641 PolarHBondContact O-N 3.49Å; N638-T642 VanDerWaalsContact O-CB 3.27Å; N638-T642 WeakPolarHBondContact O-CB 3.49Å; N638-T642 PolarHBondContact O-N 3.33Å; N638-T642 PolarHBondContact O-OG1 2.85Å
639	Y	94.3	Very high	93.2	Very high	104 Å²	104	35.6 Å²	35.6	41%	0.408	17%	0.172	S	C	.	.	H	α-helix	trans	-62.5	-46.6	178.3	176	-87.9	0	0	0	111.3	Y636 T642 Y643 K644	Y636-Y639 HydrophobicContact CE2-CD1 4.28Å; Y636-Y639 WeakPolarHBondContact O-CB 3.47Å; Y636-Y639 PolarHBondContact O-N 3.34Å; Y636-Y639 VanDerWaalsContact O-N 3.14Å; Y639-T642 PolarHBondContact O-N 3.04Å; Y639-Y643 AromaticContact CD2-CD2 3.4Å; Y639-Y643 HydrophobicContact CD2-CD2 3.4Å; Y639-Y643 AromaticContact CD2-CE2 3.76Å; Y639-Y643 HydrophobicContact CD2-CE2 3.76Å; Y639-Y643 AromaticContact CE2-CD2 3.52Å; Y639-Y643 HydrophobicContact CE2-CD2 3.52Å; Y639-Y643 HydrophobicContact CE2-CE2 4.01Å; Y639-Y643 HydrophobicContact CE2-CG 4.37Å; Y639-Y643 AromaticContact CG-CD2 3.99Å; Y639-Y643 HydrophobicContact CG-CD2 3.99Å; Y639-Y643 WeakPolarHBondContact O-CB 3.33Å; Y639-Y643 WeakPolarHBondContact O-CD2 3.48Å; Y639-Y643 PolarHBondContact O-N 2.82Å; Y639-K644 HydrophobicContact CE1-CG 4.34Å
640	L	93.1	Very high	93.1	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.052	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-46.2	177.2	-68.3	-172.3	0	0	0	112.5	Y636 F637 T642 K644 M645 L667 V671	Y636-L640 HydrophobicContact CD1-CD1 3.85Å; Y636-L640 HydrophobicContact CD1-CG 3.88Å; Y636-L640 HydrophobicContact CE1-CD1 3.49Å; Y636-L640 VanDerWaalsContact CE1-CD1 3.49Å; Y636-L640 HydrophobicContact CE1-CD2 3.73Å; Y636-L640 HydrophobicContact CE1-CG 3.53Å; Y636-L640 PolarHBondContact O-N 3.37Å; F637-L640 HydrophobicContact CD1-CD1 3.95Å; F637-L640 HydrophobicContact CE1-CD1 4.32Å; F637-L640 PolarHBondContact O-N 3.31Å; L640-T642 VanDerWaalsContact C-N 3.26Å; L640-T642 PolarHBondContact O-N 3.27Å; L640-K644 HydrophobicContact CB-CB 4.45Å; L640-K644 HydrophobicContact CD2-CB 3.89Å; L640-K644 HydrophobicContact CD2-CG 3.73Å; L640-K644 CarbonylContact O-C 3.47Å; L640-K644 WeakPolarHBondContact O-CA 3.17Å; L640-K644 WeakPolarHBondContact O-CB 3.34Å; L640-K644 PolarHBondContact O-N 3.18Å; L640-M645 PolarHBondContact O-N 3.47Å; L640-L667 HydrophobicContact CB-CD1 4.22Å; L640-L667 HydrophobicContact CB-CD2 3.85Å; L640-L667 HydrophobicContact CB-CG 4.38Å; L640-V671 HydrophobicContact CD1-CB 4.26Å; L640-V671 HydrophobicContact CD1-CG1 3.7Å; L640-V671 HydrophobicContact CD1-CG2 3.88Å
641	Y	95.8	Very high	93	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-41.4	179	-166.7	-71.6	0	0	0	110.8	F556 F637 N638 M645 A663 M664 L667	F556-Y641 HydrophobicContact CB-CD1 3.82Å; F556-Y641 HydrophobicContact CB-CD2 4.37Å; F556-Y641 HydrophobicContact CB-CE1 4.39Å; F556-Y641 HydrophobicContact CB-CG 3.84Å; F556-Y641 AromaticContact CD2-CD1 3.96Å; F556-Y641 HydrophobicContact CD2-CD1 3.96Å; F556-Y641 AromaticContact CD2-CD2 3.79Å; F556-Y641 HydrophobicContact CD2-CD2 3.79Å; F556-Y641 AromaticContact CD2-CE1 3.76Å; F556-Y641 HydrophobicContact CD2-CE1 3.76Å; F556-Y641 AromaticContact CD2-CE2 3.54Å; F556-Y641 HydrophobicContact CD2-CE2 3.54Å; F556-Y641 HydrophobicContact CD2-CG 4Å; F556-Y641 AromaticContact CD2-CZ 3.55Å; F556-Y641 HydrophobicContact CE2-CD2 4.3Å; F556-Y641 AromaticContact CE2-CE2 3.76Å; F556-Y641 HydrophobicContact CE2-CE2 3.76Å; F556-Y641 AromaticContact CE2-CZ 3.96Å; F556-Y641 HydrophobicContact CG-CD1 4.31Å; F556-Y641 HydrophobicContact CG-CD2 4.21Å; F556-Y641 HydrophobicContact CG-CE2 4.4Å; F556-Y641 HydrophobicContact CG-CG 4.18Å; F637-Y641 WeakPolarHBondContact O-CB 3.4Å; F637-Y641 PolarHBondContact O-N 3.21Å; N638-Y641 PolarHBondContact O-N 3.49Å; Y641-M645 HydrophobicContact CD1-SD 4.36Å; Y641-M645 HydrophobicContact CD2-CE 3.43Å; Y641-M645 VanDerWaalsContact CD2-CE 3.43Å; Y641-M645 HydrophobicContact CD2-SD 4.21Å; Y641-M645 HydrophobicContact CE1-SD 4.1Å; Y641-M645 HydrophobicContact CE2-CE 3.49Å; Y641-M645 VanDerWaalsContact CE2-CE 3.49Å; Y641-M645 HydrophobicContact CE2-SD 3.99Å; Y641-M645 HydrophobicContact CG-CE 4Å; Y641-M645 HydrophobicContact CG-SD 4.38Å; Y641-M645 VanDerWaalsContact O-CB 3.29Å; Y641-M645 WeakPolarHBondContact O-CB 3.17Å; Y641-A663 HydrophobicContact CE2-CB 4Å; Y641-M664 HydrophobicContact CD2-CB 4.26Å; Y641-M664 HydrophobicContact CD2-CE 3.52Å; Y641-M664 HydrophobicContact CD2-SD 4.01Å; Y641-M664 HydrophobicContact CE2-CB 4.19Å; Y641-M664 HydrophobicContact CE2-CE 4.35Å; Y641-M664 HydrophobicContact CG-CE 4.03Å; Y641-L667 HydrophobicContact CD2-CD2 4.21Å; Y641-L667 HydrophobicContact CG-CD2 4.47Å
642	T	93.6	Very high	92.9	Very high	16 Å²	16	46.3 Å²	46.3	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-77.3	-39.7	-175.4	-61.7	0	0	0	0	113.4	F556 F557 P558 N638 Y639 L640 K650	F556-T642 PolarHBondContact O-OG1 2.8Å; F556-T642 VanDerWaalsContact O-OG1 3.11Å; F557-T642 HydrophobicContact CD2-CG2 3.74Å; F557-T642 HydrophobicContact CE2-CG2 3.92Å; P558-T642 VanDerWaalsContact CD-OG1 3.28Å; P558-T642 WeakPolarHBondContact CD-OG1 3.31Å; N638-T642 VanDerWaalsContact O-CB 3.27Å; N638-T642 WeakPolarHBondContact O-CB 3.49Å; N638-T642 PolarHBondContact O-N 3.33Å; N638-T642 PolarHBondContact O-OG1 2.85Å; Y639-T642 PolarHBondContact O-N 3.04Å; L640-T642 VanDerWaalsContact C-N 3.26Å; L640-T642 PolarHBondContact O-N 3.27Å; T642-K650 PolarHBondContact O-NZ 2.91Å; T642-K650 VanDerWaalsContact O-NZ 3.15Å
643	Y	91.6	Very high	92.7	Very high	125 Å²	125	46.4 Å²	46.4	49%	0.49	22%	0.221	S	C	.	.	H	α-helix	trans	-121.5	-9.5	-167.2	-55.1	-64.3	0	0	0	116.1	P558 Y639	P558-Y643 HydrophobicContact CG-CD2 4.37Å; P558-Y643 HydrophobicContact CG-CE2 3.53Å; Y639-Y643 AromaticContact CD2-CD2 3.4Å; Y639-Y643 HydrophobicContact CD2-CD2 3.4Å; Y639-Y643 AromaticContact CD2-CE2 3.76Å; Y639-Y643 HydrophobicContact CD2-CE2 3.76Å; Y639-Y643 AromaticContact CE2-CD2 3.52Å; Y639-Y643 HydrophobicContact CE2-CD2 3.52Å; Y639-Y643 HydrophobicContact CE2-CE2 4.01Å; Y639-Y643 HydrophobicContact CE2-CG 4.37Å; Y639-Y643 AromaticContact CG-CD2 3.99Å; Y639-Y643 HydrophobicContact CG-CD2 3.99Å; Y639-Y643 WeakPolarHBondContact O-CB 3.33Å; Y639-Y643 WeakPolarHBondContact O-CD2 3.48Å; Y639-Y643 PolarHBondContact O-N 2.82Å
644	K	89.3	Confident	92.5	Very high	136 Å²	136	47.9 Å²	47.9	59%	0.591	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126	-17.5	-177.9	-62.8	-63.7	-175.9	-176.9	0	114.5	Y639 L640	Y639-K644 HydrophobicContact CE1-CG 4.34Å; L640-K644 HydrophobicContact CB-CB 4.45Å; L640-K644 HydrophobicContact CD2-CB 3.89Å; L640-K644 HydrophobicContact CD2-CG 3.73Å; L640-K644 CarbonylContact O-C 3.47Å; L640-K644 WeakPolarHBondContact O-CA 3.17Å; L640-K644 WeakPolarHBondContact O-CB 3.34Å; L640-K644 PolarHBondContact O-N 3.18Å
645	M	90.8	Very high	92.4	Very high	15 Å²	15	50.9 Å²	50.9	7%	0.074	26%	0.257	C	S	.	.	S	Bend	trans	-57.9	134.8	172	-178.8	166.3	-78.3	0	0	110.3	L640 Y641 G647 I649 K650 A663 L667	L640-M645 PolarHBondContact O-N 3.47Å; Y641-M645 HydrophobicContact CD1-SD 4.36Å; Y641-M645 HydrophobicContact CD2-CE 3.43Å; Y641-M645 VanDerWaalsContact CD2-CE 3.43Å; Y641-M645 HydrophobicContact CD2-SD 4.21Å; Y641-M645 HydrophobicContact CE1-SD 4.1Å; Y641-M645 HydrophobicContact CE2-CE 3.49Å; Y641-M645 VanDerWaalsContact CE2-CE 3.49Å; Y641-M645 HydrophobicContact CE2-SD 3.99Å; Y641-M645 HydrophobicContact CG-CE 4Å; Y641-M645 HydrophobicContact CG-SD 4.38Å; Y641-M645 VanDerWaalsContact O-CB 3.29Å; Y641-M645 WeakPolarHBondContact O-CB 3.17Å; M645-G647 PolarHBondContact O-N 3.01Å; M645-I649 HydrophobicContact CE-CG2 4.31Å; M645-I649 HydrophobicContact CG-CB 4.05Å; M645-I649 HydrophobicContact CG-CG2 4.05Å; M645-I649 HydrophobicContact SD-CB 4.21Å; M645-I649 HydrophobicContact SD-CG2 3.61Å; M645-K650 HydrophobicContact CG-CB 4.39Å; M645-K650 HydrophobicContact SD-CB 4.28Å; M645-A663 HydrophobicContact CE-CB 3.88Å; M645-A663 WeakPolarHBondContact CE-O 3.41Å; M645-A663 HydrophobicContact SD-CB 4.22Å; M645-L667 HydrophobicContact CE-CB 3.92Å; M645-L667 HydrophobicContact CE-CD1 4.49Å; M645-L667 HydrophobicContact CE-CD2 4.13Å; M645-L667 HydrophobicContact CE-CG 4.42Å
646	P	89.4	Confident	92.2	Very high	43 Å²	43	51.4 Å²	51.4	28%	0.279	26%	0.26	S	S	.	.			trans	-52.2	133	174.1	-28.5	35.8	0	0	0	111.8	D648 I649 K650 V716 F717	P646-D648 PolarHBondContact O-N 3Å; P646-I649 HydrophobicContact CB-CD1 4.38Å; P646-I649 HydrophobicContact CB-CG1 4.37Å; P646-I649 HydrophobicContact CG-CD1 4.25Å; P646-I649 PolarHBondContact O-N 2.94Å; P646-K650 PolarHBondContact O-N 3.02Å; P646-V716 HydrophobicContact CB-CG1 3.6Å; P646-V716 HydrophobicContact CG-CG1 3.99Å; P646-F717 HydrophobicContact CG-CE1 4.27Å; P646-F717 HydrophobicContact CG-CZ 4.4Å
647	G	86.7	Confident	92.1	Very high	41 Å²	41	50.2 Å²	50.2	42%	0.423	26%	0.258	S	S	.	.	H	α-helix	trans	-53.5	-41.6	-176.7	0	0	0	0	0	112.7	M645 I649 K650 N651	M645-G647 PolarHBondContact O-N 3.01Å; G647-I649 VanDerWaalsContact C-N 3.29Å; G647-I649 PolarHBondContact O-N 2.6Å; G647-K650 PolarHBondContact O-N 3.23Å; G647-N651 WeakPolarHBondContact O-CB 3.19Å; G647-N651 PolarHBondContact O-N 2.63Å; G647-N651 PolarHBondContact O-ND2 2.94Å
648	D	90.7	Very high	92	Very high	89 Å²	89	50.4 Å²	50.4	48%	0.476	26%	0.259	S	S	.	.	H	α-helix	trans	-49	-43.4	172.9	-83.9	41	0	0	0	114.5	P646 W652 K712 V716	P646-D648 PolarHBondContact O-N 3Å; D648-W652 WeakPolarHBondContact O-CB 3.44Å; D648-W652 PolarHBondContact O-N 3.28Å; D648-W652 VanDerWaalsContact O-N 3.09Å; D648-K712 IonicContact OD2-NZ 3.53Å; D648-K712 PolarHBondContact OD2-NZ 3.15Å; D648-V716 HydrophobicContact CB-CG1 4.28Å; D648-V716 HydrophobicContact CB-CG2 3.89Å
649	I	93	Very high	91.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-75.3	-47.8	-177	-64.1	-178.8	0	0	0	109.6	M645 P646 G647 W652 V653 A663 F713 V716 F717	M645-I649 HydrophobicContact CE-CG2 4.31Å; M645-I649 HydrophobicContact CG-CB 4.05Å; M645-I649 HydrophobicContact CG-CG2 4.05Å; M645-I649 HydrophobicContact SD-CB 4.21Å; M645-I649 HydrophobicContact SD-CG2 3.61Å; P646-I649 HydrophobicContact CB-CD1 4.38Å; P646-I649 HydrophobicContact CB-CG1 4.37Å; P646-I649 HydrophobicContact CG-CD1 4.25Å; P646-I649 PolarHBondContact O-N 2.94Å; G647-I649 VanDerWaalsContact C-N 3.29Å; G647-I649 PolarHBondContact O-N 2.6Å; I649-W652 WeakPolarHBondContact O-CB 3.49Å; I649-W652 PolarHBondContact O-N 3.23Å; I649-V653 WeakPolarHBondContact O-CG2 3.33Å; I649-V653 PolarHBondContact O-N 3.35Å; I649-A663 HydrophobicContact CG2-CB 3.82Å; I649-F713 HydrophobicContact CB-CD1 4.21Å; I649-F713 HydrophobicContact CB-CE1 4.34Å; I649-F713 HydrophobicContact CD1-CB 4.13Å; I649-F713 HydrophobicContact CD1-CD1 4.26Å; I649-F713 HydrophobicContact CD1-CG 4.26Å; I649-F713 HydrophobicContact CG1-CD1 3.8Å; I649-F713 HydrophobicContact CG1-CE1 4.4Å; I649-F713 HydrophobicContact CG1-CG 4.31Å; I649-F713 HydrophobicContact CG2-CD1 3.79Å; I649-F713 HydrophobicContact CG2-CD2 4.37Å; I649-F713 HydrophobicContact CG2-CE1 3.74Å; I649-F713 HydrophobicContact CG2-CE2 4.31Å; I649-F713 HydrophobicContact CG2-CG 4.14Å; I649-F713 HydrophobicContact CG2-CZ 4.01Å; I649-V716 HydrophobicContact CD1-CB 4.1Å; I649-V716 HydrophobicContact CD1-CG1 3.93Å; I649-V716 HydrophobicContact CG1-CB 4.09Å; I649-V716 HydrophobicContact CG1-CG1 3.92Å; I649-V716 HydrophobicContact CG1-CG2 4.38Å; I649-F717 HydrophobicContact CD1-CD2 3.7Å; I649-F717 HydrophobicContact CD1-CE2 3.24Å; I649-F717 HydrophobicContact CD1-CZ 3.89Å
650	K	90.6	Very high	91.9	Very high	59 Å²	59	46 Å²	46	26%	0.257	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-45	-179.8	-175.4	179.8	177.5	-174.6	0	111.7	T642 M645 P646 G647 W652 V653 D654	T642-K650 PolarHBondContact O-NZ 2.91Å; T642-K650 VanDerWaalsContact O-NZ 3.15Å; M645-K650 HydrophobicContact CG-CB 4.39Å; M645-K650 HydrophobicContact SD-CB 4.28Å; P646-K650 PolarHBondContact O-N 3.02Å; G647-K650 PolarHBondContact O-N 3.23Å; K650-W652 VanDerWaalsContact C-N 3.32Å; K650-W652 PolarHBondContact O-N 3.25Å; K650-V653 PolarHBondContact O-N 3.47Å; K650-D654 WeakPolarHBondContact O-CB 3.14Å; K650-D654 PolarHBondContact O-N 2.64Å
651	N	91.9	Very high	92.1	Very high	104 Å²	104	45.7 Å²	45.7	56%	0.556	24%	0.241	S	C	*	.	H	α-helix	trans	-64.7	-36.8	176.9	-66.2	-13.2	0	0	0	111.5	G647 A655	G647-N651 WeakPolarHBondContact O-CB 3.19Å; G647-N651 PolarHBondContact O-N 2.63Å; G647-N651 PolarHBondContact O-ND2 2.94Å; N651-A655 WeakPolarHBondContact O-CB 3.39Å; N651-A655 PolarHBondContact O-N 3.32Å
652	W	94	Very high	92.2	Very high	65 Å²	65	45.6 Å²	45.6	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-49.7	174.1	-176.3	-79.3	0	0	0	111.6	D648 I649 K650 A655 H656 C709 K712 F713	D648-W652 WeakPolarHBondContact O-CB 3.44Å; D648-W652 PolarHBondContact O-N 3.28Å; D648-W652 VanDerWaalsContact O-N 3.09Å; I649-W652 WeakPolarHBondContact O-CB 3.49Å; I649-W652 PolarHBondContact O-N 3.23Å; K650-W652 VanDerWaalsContact C-N 3.32Å; K650-W652 PolarHBondContact O-N 3.25Å; W652-A655 PolarHBondContact O-N 3.45Å; W652-H656 AromaticContact CD1-ND1 3.69Å; W652-H656 AromaticContact CD2-CE1 3.44Å; W652-H656 VanDerWaalsContact CD2-CE1 3.44Å; W652-H656 AromaticContact CD2-ND1 3.66Å; W652-H656 AromaticContact CE2-CE1 3.41Å; W652-H656 VanDerWaalsContact CE2-CE1 3.41Å; W652-H656 AromaticContact CE2-ND1 3.62Å; W652-H656 AromaticContact CE2-NE2 3.94Å; W652-H656 AromaticContact CE3-CE1 3.67Å; W652-H656 AromaticContact CG-CE1 4Å; W652-H656 AromaticContact CG-ND1 3.72Å; W652-H656 AromaticContact CH2-CE1 3.86Å; W652-H656 AromaticContact CH2-NE2 3.99Å; W652-H656 AromaticContact CZ2-CE1 3.64Å; W652-H656 AromaticContact CZ2-NE2 3.76Å; W652-H656 AromaticContact CZ3-CE1 3.88Å; W652-H656 AromaticContact NE1-CE1 3.9Å; W652-H656 AromaticContact NE1-ND1 3.62Å; W652-H656 PolarHBondContact O-N 3.4Å; W652-H656 PolarHBondContact O-ND1 3.28Å; W652-C709 PolarHBondContact NE1-SG 3.34Å; W652-C709 VanDerWaalsContact NE1-SG 3.37Å; W652-K712 HydrophobicContact CD2-CG 4.16Å; W652-K712 HydrophobicContact CE3-CD 4.48Å; W652-K712 HydrophobicContact CE3-CG 4.09Å; W652-K712 HydrophobicContact CZ3-CG 4.48Å; W652-F713 HydrophobicContact CB-CE1 4.42Å; W652-F713 AromaticContact CD1-CE1 3.91Å; W652-F713 HydrophobicContact CG-CE1 4.25Å
653	V	94.6	Very high	92.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-48.5	177.3	167.7	0	0	0	0	111.4	I649 K650 A655 H656 M657 E660 A663 F713	I649-V653 WeakPolarHBondContact O-CG2 3.33Å; I649-V653 PolarHBondContact O-N 3.35Å; K650-V653 PolarHBondContact O-N 3.47Å; V653-A655 VanDerWaalsContact C-N 3.3Å; V653-A655 PolarHBondContact O-N 3.21Å; V653-H656 PolarHBondContact O-N 3.42Å; V653-M657 PolarHBondContact O-N 3.34Å; V653-E660 HydrophobicContact CG1-CB 3.5Å; V653-E660 VanDerWaalsContact CG1-CB 3.5Å; V653-A663 HydrophobicContact CG2-CB 3.89Å; V653-F713 HydrophobicContact CG2-CZ 3.88Å
654	D	92.3	Very high	92.6	Very high	31 Å²	31	38.9 Å²	38.9	17%	0.166	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-31.7	-179.5	-77.8	-0.8	0	0	0	112.6	K551 S553 K650	K551-D654 HydrophobicContact CD-CB 4.37Å; K551-D654 IonicContact NZ-OD2 2.75Å; S553-D654 VanDerWaalsContact CB-OD1 3.26Å; S553-D654 WeakPolarHBondContact CB-OD1 3.37Å; S553-D654 PolarHBondContact OG-OD1 3.19Å; K650-D654 WeakPolarHBondContact O-CB 3.14Å; K650-D654 PolarHBondContact O-N 2.64Å
655	A	91.3	Very high	93	Very high	79 Å²	79	32.5 Å²	32.5	65%	0.653	19%	0.185	S	C	*	.	H	α-helix	trans	-80.6	-32.6	179.5	0	0	0	0	0	113.9	N651 W652 V653	N651-A655 WeakPolarHBondContact O-CB 3.39Å; N651-A655 PolarHBondContact O-N 3.32Å; W652-A655 PolarHBondContact O-N 3.45Å; V653-A655 VanDerWaalsContact C-N 3.3Å; V653-A655 PolarHBondContact O-N 3.21Å
656	H	90.1	Very high	93.3	Very high	83 Å²	83	31.8 Å²	31.8	38%	0.384	18%	0.181	S	C	.	.	H	α-helix	trans	-97	-11	-177.8	-63.6	83.5	0	0	0	113.6	W652 V653 N658	W652-H656 AromaticContact CD1-ND1 3.69Å; W652-H656 AromaticContact CD2-CE1 3.44Å; W652-H656 VanDerWaalsContact CD2-CE1 3.44Å; W652-H656 AromaticContact CD2-ND1 3.66Å; W652-H656 AromaticContact CE2-CE1 3.41Å; W652-H656 VanDerWaalsContact CE2-CE1 3.41Å; W652-H656 AromaticContact CE2-ND1 3.62Å; W652-H656 AromaticContact CE2-NE2 3.94Å; W652-H656 AromaticContact CE3-CE1 3.67Å; W652-H656 AromaticContact CG-CE1 4Å; W652-H656 AromaticContact CG-ND1 3.72Å; W652-H656 AromaticContact CH2-CE1 3.86Å; W652-H656 AromaticContact CH2-NE2 3.99Å; W652-H656 AromaticContact CZ2-CE1 3.64Å; W652-H656 AromaticContact CZ2-NE2 3.76Å; W652-H656 AromaticContact CZ3-CE1 3.88Å; W652-H656 AromaticContact NE1-CE1 3.9Å; W652-H656 AromaticContact NE1-ND1 3.62Å; W652-H656 PolarHBondContact O-N 3.4Å; W652-H656 PolarHBondContact O-ND1 3.28Å; V653-H656 PolarHBondContact O-N 3.42Å; H656-N658 PolarHBondContact O-N 3.38Å
657	M	90.1	Very high	93.5	Very high	51 Å²	51	30 Å²	30	25%	0.251	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	41.1	-175.4	-69.1	-68.9	-75.3	0	0	112.8	N550 L552 V653	N550-M657 WeakPolarHBondContact O-CE 3.31Å; L552-M657 WeakPolarHBondContact CD1-O 3.27Å; L552-M657 HydrophobicContact CD2-CE 4.1Å; L552-M657 HydrophobicContact CG-CE 4.03Å; L552-M657 HydrophobicContact CG-SD 4.29Å; V653-M657 PolarHBondContact O-N 3.34Å
658	N	91.9	Very high	93.9	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.027	15%	0.151	C	C	.	.			trans	-153.6	169.6	-177.7	-159.9	-8.2	0	0	0	109.7	H656 E660 H702 E705 R706	H656-N658 PolarHBondContact O-N 3.38Å; N658-E660 VanDerWaalsContact C-N 3.27Å; N658-E660 PolarHBondContact O-N 2.95Å; N658-H702 PolarHBondContact ND2-ND1 2.98Å; N658-H702 PolarHBondContact OD1-CE1 3.04Å; N658-H702 VanDerWaalsContact OD1-CE1 3.28Å; N658-E705 PolarHBondContact ND2-OE2 2.81Å; N658-R706 PolarHBondContact OD1-NE 2.97Å; N658-R706 VanDerWaalsContact OD1-NE 3.11Å
659	C	94.6	Very high	94	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.			trans	63.4	14.6	170.7	-49	0	0	0	0	117.4	D661 I662 A663 C709 F713	C659-D661 PolarHBondContact O-N 3.01Å; C659-I662 HydrophobicContact CB-CB 4.31Å; C659-I662 HydrophobicContact CB-CD1 4.32Å; C659-I662 PolarHBondContact O-N 3.16Å; C659-A663 WeakPolarHBondContact O-CB 3.31Å; C659-A663 PolarHBondContact O-N 3.36Å; C659-C709 HydrophobicContact CB-CB 3.53Å; C659-C709 WeakPolarHBondContact CB-SG 3.44Å; C659-C709 WeakPolarHBondContact SG-CB 3.38Å; C659-C709 CovalentContact SG-SG 2.03Å; C659-C709 PolarHBondContact SG-SG 3.36Å; C659-F713 HydrophobicContact CB-CE2 4.13Å; C659-F713 HydrophobicContact CB-CZ 3.99Å
660	E	95.5	Very high	93.8	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.047	14%	0.142	C	C	.	.	H	α-helix	trans	-64.9	-32	175.6	81.5	-57.9	148	0	0	111.8	L552 R555 F556 V653 N658 M664	L552-E660 HydrophobicContact CB-CB 4.27Å; L552-E660 HydrophobicContact CB-CG 3.88Å; L552-E660 VanDerWaalsContact CD1-OE2 3.29Å; L552-E660 WeakPolarHBondContact CD1-OE2 3.42Å; R555-E660 IonicContact CZ-OE1 2.73Å; R555-E660 IonicContact NH2-OE1 2.66Å; R555-E660 PolarHBondContact NH2-OE1 3.44Å; F556-E660 HydrophobicContact CE2-CB 3.9Å; F556-E660 HydrophobicContact CE2-CG 3.73Å; F556-E660 HydrophobicContact CZ-CG 4.28Å; V653-E660 HydrophobicContact CG1-CB 3.5Å; V653-E660 VanDerWaalsContact CG1-CB 3.5Å; N658-E660 VanDerWaalsContact C-N 3.27Å; N658-E660 PolarHBondContact O-N 2.95Å; E660-M664 PolarHBondContact O-N 3.16Å
661	D	95.9	Very high	93.6	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.027	14%	0.137	C	C	.	.	H	α-helix	trans	-67.2	-48.2	171.6	56.7	-2.5	0	0	0	111.7	L627 T628 C659 A663 M664 N665 R706	L627-D661 HydrophobicContact CD2-CB 4.49Å; L627-D661 VanDerWaalsContact CD2-OD2 3.31Å; L627-D661 WeakPolarHBondContact CD2-OD2 3.19Å; T628-D661 HydrophobicContact CG2-CB 4.49Å; T628-D661 WeakPolarHBondContact OG1-CA 3.47Å; T628-D661 VanDerWaalsContact OG1-CB 3.24Å; T628-D661 WeakPolarHBondContact OG1-CB 3.38Å; C659-D661 PolarHBondContact O-N 3.01Å; D661-A663 VanDerWaalsContact C-N 3.31Å; D661-A663 PolarHBondContact O-N 3.36Å; D661-M664 PolarHBondContact O-N 2.93Å; D661-N665 PolarHBondContact O-N 3.28Å; D661-N665 PolarHBondContact O-ND2 3.28Å; D661-R706 VanDerWaalsContact CG-NH2 3.28Å; D661-R706 IonicContact OD1-CZ 2.74Å; D661-R706 IonicContact OD1-NH1 3.28Å; D661-R706 PolarHBondContact OD1-NH1 3.27Å; D661-R706 IonicContact OD1-NH2 3.56Å; D661-R706 PolarHBondContact OD1-NH2 3.3Å; D661-R706 IonicContact OD2-CZ 2.64Å; D661-R706 VanDerWaalsContact OD2-CZ 3.24Å; D661-R706 IonicContact OD2-NH1 3.39Å; D661-R706 PolarHBondContact OD2-NH1 2.97Å; D661-R706 IonicContact OD2-NH2 2.71Å; D661-R706 PolarHBondContact OD2-NH2 3.37Å
662	I	97.3	Very high	93.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-44.1	174.7	-60.1	176.4	0	0	0	109.8	Y615 M625 C659 M664 N665 F666 R706 C709 I710 F713	Y615-I662 HydrophobicContact CD2-CD1 3.91Å; Y615-I662 HydrophobicContact CE2-CD1 4.12Å; M625-I662 HydrophobicContact SD-CG1 4.17Å; M625-I662 HydrophobicContact SD-CG2 4.16Å; C659-I662 HydrophobicContact CB-CB 4.31Å; C659-I662 HydrophobicContact CB-CD1 4.32Å; C659-I662 PolarHBondContact O-N 3.16Å; I662-M664 VanDerWaalsContact C-N 3.33Å; I662-M664 PolarHBondContact O-N 2.04Å; I662-N665 WeakPolarHBondContact O-CB 3.22Å; I662-N665 PolarHBondContact O-N 3.24Å; I662-N665 VanDerWaalsContact O-N 3.17Å; I662-F666 HydrophobicContact CG2-CD2 3.73Å; I662-F666 HydrophobicContact CG2-CE2 3.74Å; I662-F666 WeakPolarHBondContact O-CD2 3.27Å; I662-F666 PolarHBondContact O-N 2.97Å; I662-R706 HydrophobicContact CD1-CB 3.78Å; I662-R706 HydrophobicContact CD1-CG 3.76Å; I662-C709 HydrophobicContact CD1-CB 4.49Å; I662-I710 HydrophobicContact CD1-CG1 4.36Å; I662-I710 HydrophobicContact CG2-CG1 3.94Å; I662-F713 HydrophobicContact CB-CE2 4.16Å; I662-F713 HydrophobicContact CG2-CD2 3.89Å; I662-F713 HydrophobicContact CG2-CE2 3.91Å
663	A	97.3	Very high	92.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-39.3	177.6	0	0	0	0	0	112.2	Y641 M645 I649 V653 C659 D661 L667 F713	Y641-A663 HydrophobicContact CE2-CB 4Å; M645-A663 HydrophobicContact CE-CB 3.88Å; M645-A663 WeakPolarHBondContact CE-O 3.41Å; M645-A663 HydrophobicContact SD-CB 4.22Å; I649-A663 HydrophobicContact CG2-CB 3.82Å; V653-A663 HydrophobicContact CG2-CB 3.89Å; C659-A663 WeakPolarHBondContact O-CB 3.31Å; C659-A663 PolarHBondContact O-N 3.36Å; D661-A663 VanDerWaalsContact C-N 3.31Å; D661-A663 PolarHBondContact O-N 3.36Å; A663-L667 VanDerWaalsContact O-CB 3.3Å; A663-L667 WeakPolarHBondContact O-CB 3.42Å; A663-L667 PolarHBondContact O-N 3.33Å; A663-F713 HydrophobicContact CB-CD2 4.37Å; A663-F713 HydrophobicContact CB-CE2 3.73Å; A663-F713 HydrophobicContact CB-CZ 4.17Å
664	M	97.6	Very high	92.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.1	-41.5	173.3	-175.4	62	82	0	0	112	F556 T628 Y633 F637 Y641 E660 D661 I662 L667 V668	F556-M664 HydrophobicContact CB-CE 4.05Å; F556-M664 HydrophobicContact CD1-CE 3.3Å; F556-M664 HydrophobicContact CD2-CE 4.05Å; F556-M664 HydrophobicContact CE1-CE 3.61Å; F556-M664 HydrophobicContact CE2-CB 4.49Å; F556-M664 HydrophobicContact CE2-CE 4.28Å; F556-M664 HydrophobicContact CG-CE 3.54Å; F556-M664 HydrophobicContact CZ-CB 4.26Å; F556-M664 HydrophobicContact CZ-CE 4.09Å; T628-M664 HydrophobicContact CG2-CB 3.94Å; T628-M664 HydrophobicContact CG2-CG 3.85Å; Y633-M664 HydrophobicContact CE2-CE 4.26Å; F637-M664 HydrophobicContact CB-CE 4.46Å; F637-M664 HydrophobicContact CB-SD 3.93Å; Y641-M664 HydrophobicContact CD2-CB 4.26Å; Y641-M664 HydrophobicContact CD2-CE 3.52Å; Y641-M664 HydrophobicContact CD2-SD 4.01Å; Y641-M664 HydrophobicContact CE2-CB 4.19Å; Y641-M664 HydrophobicContact CE2-CE 4.35Å; Y641-M664 HydrophobicContact CG-CE 4.03Å; E660-M664 PolarHBondContact O-N 3.16Å; D661-M664 PolarHBondContact O-N 2.93Å; I662-M664 VanDerWaalsContact C-N 3.33Å; I662-M664 PolarHBondContact O-N 2.04Å; M664-L667 PolarHBondContact O-N 3.32Å; M664-L667 HydrophobicContact SD-CD2 4.09Å; M664-V668 HydrophobicContact CG-CG2 4.44Å; M664-V668 WeakPolarHBondContact O-CG2 3.04Å; M664-V668 PolarHBondContact O-N 2.86Å; M664-V668 HydrophobicContact SD-CG2 4.2Å
665	N	97.6	Very high	92.2	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-62.2	-46.1	176.2	-79.9	-95.7	0	0	0	111.9	L596 M625 V626 D661 I662 V668 A669 V676 L722	L596-N665 WeakPolarHBondContact CD2-ND2 3.43Å; L596-N665 WeakPolarHBondContact CD2-OD1 3.48Å; M625-N665 WeakPolarHBondContact CA-OD1 3.4Å; M625-N665 HydrophobicContact CB-CB 4.34Å; M625-N665 WeakPolarHBondContact CB-OD1 3.47Å; M625-N665 HydrophobicContact CG-CB 3.88Å; V626-N665 PolarHBondContact N-OD1 3.16Å; V626-N665 PolarHBondContact O-ND2 3.27Å; V626-N665 PolarHBondContact O-OD1 3.22Å; D661-N665 PolarHBondContact O-N 3.28Å; D661-N665 PolarHBondContact O-ND2 3.28Å; I662-N665 WeakPolarHBondContact O-CB 3.22Å; I662-N665 PolarHBondContact O-N 3.24Å; I662-N665 VanDerWaalsContact O-N 3.17Å; N665-V668 PolarHBondContact O-N 2.75Å; N665-A669 VanDerWaalsContact O-CB 3.27Å; N665-A669 WeakPolarHBondContact O-CB 3.36Å; N665-A669 PolarHBondContact O-N 2.83Å; N665-V676 VanDerWaalsContact OD1-CG1 3.3Å; N665-V676 WeakPolarHBondContact OD1-CG1 3.38Å; N665-L722 HydrophobicContact CB-CD2 4.02Å
666	F	96.4	Very high	92.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.1	-45.8	173.8	-94.5	-105	0	0	0	111.7	I662 N670 I710 F713 A714 F717 M720 P721 L722	I662-F666 HydrophobicContact CG2-CD2 3.73Å; I662-F666 HydrophobicContact CG2-CE2 3.74Å; I662-F666 WeakPolarHBondContact O-CD2 3.27Å; I662-F666 PolarHBondContact O-N 2.97Å; F666-N670 WeakPolarHBondContact O-CB 3.24Å; F666-N670 PolarHBondContact O-N 2.7Å; F666-I710 HydrophobicContact CE2-CB 4.45Å; F666-I710 HydrophobicContact CE2-CG1 4.3Å; F666-I710 HydrophobicContact CE2-CG2 4.24Å; F666-I710 HydrophobicContact CZ-CB 4.43Å; F666-I710 HydrophobicContact CZ-CG2 3.96Å; F666-I710 WeakPolarHBondContact CZ-O 3.39Å; F666-F713 HydrophobicContact CD1-CB 3.69Å; F666-F713 HydrophobicContact CD2-CB 4.35Å; F666-F713 HydrophobicContact CD2-CD2 4.16Å; F666-F713 HydrophobicContact CE1-CB 3.68Å; F666-F713 HydrophobicContact CE2-CB 4.32Å; F666-F713 HydrophobicContact CE2-CD2 4.42Å; F666-F713 HydrophobicContact CG-CB 4.03Å; F666-F713 HydrophobicContact CG-CD2 4.33Å; F666-F713 HydrophobicContact CZ-CB 3.99Å; F666-A714 HydrophobicContact CE1-CB 4.05Å; F666-A714 HydrophobicContact CZ-CB 4.37Å; F666-F717 HydrophobicContact CB-CD2 4.46Å; F666-F717 HydrophobicContact CB-CE2 3.95Å; F666-F717 AromaticContact CD1-CD2 3.8Å; F666-F717 HydrophobicContact CD1-CD2 3.8Å; F666-F717 HydrophobicContact CD1-CE2 4.14Å; F666-M720 HydrophobicContact CE1-CE 4.4Å; F666-M720 HydrophobicContact CE1-SD 4.01Å; F666-M720 HydrophobicContact CE2-SD 4.49Å; F666-M720 HydrophobicContact CZ-CE 3.86Å; F666-M720 HydrophobicContact CZ-SD 3.68Å; F666-P721 HydrophobicContact CB-CG 4.43Å; F666-P721 HydrophobicContact CD1-CG 3.39Å; F666-P721 HydrophobicContact CE1-CG 3.86Å; F666-P721 HydrophobicContact CG-CG 4.07Å; F666-L722 HydrophobicContact CD2-CD1 3.97Å; F666-L722 HydrophobicContact CD2-CD2 4Å; F666-L722 HydrophobicContact CD2-CG 3.97Å; F666-L722 HydrophobicContact CE2-CD1 3.49Å; F666-L722 VanDerWaalsContact CE2-CD1 3.49Å; F666-L722 HydrophobicContact CE2-CD2 4.35Å; F666-L722 HydrophobicContact CE2-CG 3.83Å; F666-L722 HydrophobicContact CZ-CD1 4.12Å; F666-L722 HydrophobicContact CZ-CG 4.27Å
667	L	94.6	Very high	92.6	Very high	7 Å²	7	11.2 Å²	11.2	4%	0.037	7%	0.065	C	C	.	.	H	α-helix	trans	-59.4	-51.6	178.3	179.3	70.5	0	0	0	111.7	L640 Y641 M645 A663 M664 N670 V671	L640-L667 HydrophobicContact CB-CD1 4.22Å; L640-L667 HydrophobicContact CB-CD2 3.85Å; L640-L667 HydrophobicContact CB-CG 4.38Å; Y641-L667 HydrophobicContact CD2-CD2 4.21Å; Y641-L667 HydrophobicContact CG-CD2 4.47Å; M645-L667 HydrophobicContact CE-CB 3.92Å; M645-L667 HydrophobicContact CE-CD1 4.49Å; M645-L667 HydrophobicContact CE-CD2 4.13Å; M645-L667 HydrophobicContact CE-CG 4.42Å; A663-L667 VanDerWaalsContact O-CB 3.3Å; A663-L667 WeakPolarHBondContact O-CB 3.42Å; A663-L667 PolarHBondContact O-N 3.33Å; M664-L667 PolarHBondContact O-N 3.32Å; M664-L667 HydrophobicContact SD-CD2 4.09Å; L667-N670 PolarHBondContact O-N 3.05Å; L667-V671 HydrophobicContact CD1-CG2 4.2Å; L667-V671 VanDerWaalsContact O-CB 3.24Å; L667-V671 WeakPolarHBondContact O-CB 3.38Å; L667-V671 WeakPolarHBondContact O-CG2 3.42Å; L667-V671 PolarHBondContact O-N 3.05Å
668	V	93.9	Very high	92.8	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.024	6%	0.056	C	C	.	.	H	α-helix	trans	-62.2	-50	-179.6	174.4	0	0	0	0	110.1	F637 M664 N665 N670 V671 T672	F637-V668 HydrophobicContact CD1-CG2 3.8Å; F637-V668 HydrophobicContact CD2-CG2 4.04Å; F637-V668 HydrophobicContact CE1-CB 4.38Å; F637-V668 HydrophobicContact CE1-CG1 4.35Å; F637-V668 HydrophobicContact CE1-CG2 3.91Å; F637-V668 HydrophobicContact CE2-CG1 4.4Å; F637-V668 HydrophobicContact CE2-CG2 4.13Å; F637-V668 HydrophobicContact CG-CG2 3.88Å; F637-V668 HydrophobicContact CZ-CB 4.49Å; F637-V668 HydrophobicContact CZ-CG1 4.01Å; F637-V668 HydrophobicContact CZ-CG2 4.07Å; M664-V668 HydrophobicContact CG-CG2 4.44Å; M664-V668 WeakPolarHBondContact O-CG2 3.04Å; M664-V668 PolarHBondContact O-N 2.86Å; M664-V668 HydrophobicContact SD-CG2 4.2Å; N665-V668 PolarHBondContact O-N 2.75Å; V668-N670 VanDerWaalsContact C-N 3.33Å; V668-N670 PolarHBondContact O-N 2.99Å; V668-V671 PolarHBondContact O-N 3.12Å; V668-T672 PolarHBondContact O-N 2.8Å; V668-T672 PolarHBondContact O-OG1 3.47Å
669	A	92.4	Very high	92.8	Very high	8 Å²	8	9.3 Å²	9.3	7%	0.066	6%	0.055	C	C	.	.	H	α-helix	trans	-62.9	-37.1	-179.2	0	0	0	0	0	112.7	N665 V671 G673 P721 L722	N665-A669 VanDerWaalsContact O-CB 3.27Å; N665-A669 WeakPolarHBondContact O-CB 3.36Å; N665-A669 PolarHBondContact O-N 2.83Å; A669-V671 VanDerWaalsContact C-N 3.29Å; A669-V671 PolarHBondContact O-N 2.96Å; A669-G673 VanDerWaalsContact O-CA 3.23Å; A669-G673 WeakPolarHBondContact O-CA 3.05Å; A669-G673 PolarHBondContact O-N 3.17Å; A669-P721 HydrophobicContact CB-CB 4.24Å; A669-P721 WeakPolarHBondContact CB-O 3.3Å; A669-L722 HydrophobicContact CB-CD2 4.29Å
670	N	88.9	Confident	92.5	Very high	42 Å²	42	9.3 Å²	9.3	23%	0.225	6%	0.055	C	C	.	.	H	α-helix	trans	-77.6	-8.4	175.4	-164.7	88.6	0	0	0	113.6	V473 F666 L667 V668 F717 P721	V473-N670 VanDerWaalsContact CG1-C 3.42Å; V473-N670 WeakPolarHBondContact CG1-O 3.44Å; V473-N670 VanDerWaalsContact CG2-O 3.3Å; V473-N670 WeakPolarHBondContact CG2-O 3.31Å; F666-N670 WeakPolarHBondContact O-CB 3.24Å; F666-N670 PolarHBondContact O-N 2.7Å; L667-N670 PolarHBondContact O-N 3.05Å; V668-N670 VanDerWaalsContact C-N 3.33Å; V668-N670 PolarHBondContact O-N 2.99Å; N670-F717 HydrophobicContact CB-CD1 4.16Å; N670-F717 HydrophobicContact CB-CE1 4.05Å; N670-F717 HydrophobicContact CB-CZ 4.44Å; N670-F717 VanDerWaalsContact CG-CD1 3.43Å; N670-F717 WeakPolarHBondContact ND2-CD1 3.48Å; N670-F717 WeakPolarHBondContact ND2-CE1 3.44Å; N670-F717 WeakPolarHBondContact OD1-CD1 3.41Å; N670-P721 HydrophobicContact CB-CB 3.75Å; N670-P721 HydrophobicContact CB-CG 4.16Å
671	V	86.4	Confident	91.7	Very high	27 Å²	27	10.6 Å²	10.6	16%	0.164	6%	0.064	C	C	.	.	H	α-helix	trans	-110	-24.6	179.2	170	0	0	0	0	112.8	V473 S474 N475 P476 F637 L640 L667 V668 A669	V473-V671 VanDerWaalsContact CG1-CA 3.46Å; V473-V671 WeakPolarHBondContact CG1-O 3.41Å; S474-V671 CarbonylContact C-O 3.53Å; N475-V671 WeakPolarHBondContact CA-O 3.26Å; P476-V671 VanDerWaalsContact CD-CG1 3.45Å; P476-V671 HydrophobicContact CG-CG1 3.64Å; F637-V671 HydrophobicContact CE1-CG1 4.25Å; L640-V671 HydrophobicContact CD1-CB 4.26Å; L640-V671 HydrophobicContact CD1-CG1 3.7Å; L640-V671 HydrophobicContact CD1-CG2 3.88Å; L667-V671 HydrophobicContact CD1-CG2 4.2Å; L667-V671 VanDerWaalsContact O-CB 3.24Å; L667-V671 WeakPolarHBondContact O-CB 3.38Å; L667-V671 WeakPolarHBondContact O-CG2 3.42Å; L667-V671 PolarHBondContact O-N 3.05Å; V668-V671 PolarHBondContact O-N 3.12Å; A669-V671 VanDerWaalsContact C-N 3.29Å; A669-V671 PolarHBondContact O-N 2.96Å
672	T	84.8	Confident	90.8	Very high	8 Å²	8	11.5 Å²	11.5	5%	0.049	7%	0.067	C	C	.	.	H	α-helix	trans	-116.2	-14	176.9	68.6	0	0	0	0	114.6	V473 N475 D594 F637 V668 K674	V473-T672 VanDerWaalsContact CG1-C 3.49Å; N475-T672 HydrophobicContact CB-CG2 4.46Å; D594-T672 HydrophobicContact CB-CG2 4.2Å; D594-T672 VanDerWaalsContact O-CG2 3.25Å; D594-T672 WeakPolarHBondContact O-CG2 3.49Å; D594-T672 PolarHBondContact O-OG1 2.82Å; F637-T672 HydrophobicContact CE1-CG2 4.31Å; F637-T672 HydrophobicContact CZ-CG2 3.96Å; V668-T672 PolarHBondContact O-N 2.8Å; V668-T672 PolarHBondContact O-OG1 3.47Å; T672-K674 WeakPolarHBondContact O-CG 3.34Å; T672-K674 PolarHBondContact O-N 2.95Å
673	G	82.4	Confident	89.5	Confident	15 Å²	15	16 Å²	16	16%	0.155	9%	0.087	C	C	.	.			trans	72.6	12.6	178.9	0	0	0	0	0	112.3	A669 K723	A669-G673 VanDerWaalsContact O-CA 3.23Å; A669-G673 WeakPolarHBondContact O-CA 3.05Å; A669-G673 PolarHBondContact O-N 3.17Å; G673-K723 WeakPolarHBondContact O-CD 3.33Å; G673-K723 WeakPolarHBondContact O-CE 3.35Å; G673-K723 PolarHBondContact O-NZ 2.83Å
674	K	85.6	Confident	88.1	Confident	29 Å²	29	22 Å²	22	13%	0.126	11%	0.113	C	C	.	.			trans	-116	148	-170.2	-70	168.6	-174.2	-161.2	0	110.9	E460 D594 R595 T672	E460-K674 HydrophobicContact CG-CG 4.15Å; E460-K674 WeakPolarHBondContact OE2-CE 3.1Å; E460-K674 IonicContact OE2-NZ 3.66Å; E460-K674 PolarHBondContact OE2-NZ 3.48Å; D594-K674 WeakPolarHBondContact OD2-CD 3.32Å; D594-K674 VanDerWaalsContact OD2-CE 3.3Å; D594-K674 WeakPolarHBondContact OD2-CE 3.47Å; D594-K674 IonicContact OD2-NZ 3.7Å; D594-K674 PolarHBondContact OD2-NZ 3.27Å; R595-K674 HydrophobicContact CG-CB 4.14Å; T672-K674 WeakPolarHBondContact O-CG 3.34Å; T672-K674 PolarHBondContact O-N 2.95Å
675	A	91.6	Very high	86.8	Confident	9 Å²	9	24 Å²	24	7%	0.074	12%	0.121	C	C	.	.			trans	-72.5	159.5	170.8	0	0	0	0	0	111.2	R595 K723 V725	R595-A675 VanDerWaalsContact CD-O 3.31Å; R595-A675 WeakPolarHBondContact CD-O 3.32Å; R595-A675 PolarHBondContact NH1-O 3.47Å; A675-K723 HydrophobicContact CB-CB 3.92Å; A675-V725 HydrophobicContact CB-CB 4.23Å; A675-V725 HydrophobicContact CB-CG1 3.39Å; A675-V725 HydrophobicContact CB-CG2 3.75Å
676	V	94.4	Very high	85.1	Confident	9 Å²	9	30.9 Å²	30.9	6%	0.055	15%	0.151	C	C	.	.			trans	-65	163.8	171.6	-59.1	0	0	0	0	112.7	L596 V623 V626 N665	L596-V676 HydrophobicContact CB-CG1 4.08Å; L596-V676 WeakPolarHBondContact O-CA 3.4Å; L596-V676 WeakPolarHBondContact O-CB 3.32Å; V623-V676 HydrophobicContact CG1-CG2 3.6Å; V626-V676 HydrophobicContact CB-CB 4.29Å; V626-V676 HydrophobicContact CB-CG1 4.47Å; V626-V676 HydrophobicContact CB-CG2 4.49Å; V626-V676 HydrophobicContact CG2-CB 3.91Å; V626-V676 HydrophobicContact CG2-CG2 3.83Å; N665-V676 VanDerWaalsContact OD1-CG1 3.3Å; N665-V676 WeakPolarHBondContact OD1-CG1 3.38Å
677	I	94.8	Very high	83.5	Confident	5 Å²	5	32.3 Å²	32.3	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.2	171.3	-53.6	-64	0	0	0	109.9	V588 F592 R595 L596 V597 G598 V679 A729	V588-I677 HydrophobicContact CG1-CG2 3.74Å; F592-I677 HydrophobicContact CB-CG1 4.06Å; F592-I677 HydrophobicContact CD1-CD1 4.4Å; F592-I677 HydrophobicContact CD2-CD1 4.42Å; F592-I677 HydrophobicContact CD2-CG1 4.09Å; F592-I677 HydrophobicContact CG-CD1 4.27Å; F592-I677 HydrophobicContact CG-CG1 3.96Å; R595-I677 HydrophobicContact CB-CG1 4.22Å; L596-I677 PolarHBondContact O-N 2.87Å; V597-I677 WeakPolarHBondContact CA-O 3.43Å; V597-I677 HydrophobicContact CB-CB 4.46Å; V597-I677 HydrophobicContact CG1-CB 4.26Å; V597-I677 HydrophobicContact CG1-CG2 4.37Å; V597-I677 HydrophobicContact CG2-CB 4Å; V597-I677 HydrophobicContact CG2-CG1 4.26Å; G598-I677 PolarHBondContact N-O 2.87Å; I677-V679 HydrophobicContact CG2-CG1 4.46Å; I677-A729 HydrophobicContact CG2-CB 4.3Å
678	K	93.8	Very high	81.7	Confident	17 Å²	17	36.8 Å²	36.8	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.6	168	177.6	71.4	178.7	83.3	0	109.3	Y599 V623 T680 R682 R728 A729	Y599-K678 WeakPolarHBondContact O-CD 3.49Å; Y599-K678 WeakPolarHBondContact O-CE 3.44Å; Y599-K678 PolarHBondContact O-NZ 3.16Å; V623-K678 HydrophobicContact CG2-CB 4.45Å; K678-T680 PolarHBondContact NZ-O 2.89Å; K678-R682 WeakPolarHBondContact CE-O 3.49Å; K678-R682 PolarHBondContact NZ-O 3.32Å; K678-R728 HydrophobicContact CG-CB 4.36Å; K678-R728 HydrophobicContact CG-CG 3.99Å; K678-R728 CarbonylContact O-C 3.54Å; K678-R728 VanDerWaalsContact O-CA 3.3Å; K678-R728 WeakPolarHBondContact O-CA 3.42Å; K678-A729 PolarHBondContact O-N 2.87Å
679	V	92.9	Very high	79.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	145.5	170.7	-65.5	0	0	0	0	111.5	F584 V588 V597 G598 Y599 I677 A729	F584-V679 HydrophobicContact CD1-CB 4.49Å; F584-V679 HydrophobicContact CE1-CB 4.27Å; F584-V679 HydrophobicContact CE1-CG1 4.42Å; V588-V679 HydrophobicContact CB-CG1 3.79Å; V588-V679 HydrophobicContact CG1-CG1 3.69Å; V588-V679 HydrophobicContact CG2-CG1 3.95Å; V597-V679 HydrophobicContact CG1-CG1 3.55Å; G598-V679 WeakPolarHBondContact O-CG2 3.17Å; G598-V679 PolarHBondContact O-N 2.89Å; Y599-V679 HydrophobicContact CD1-CG2 3.69Å; Y599-V679 HydrophobicContact CE1-CG2 3.57Å; Y599-V679 HydrophobicContact CE2-CG2 4.41Å; Y599-V679 HydrophobicContact CG-CG2 4.15Å; I677-V679 HydrophobicContact CG2-CG1 4.46Å; V679-A729 WeakPolarHBondContact CA-O 3.31Å; V679-A729 HydrophobicContact CG1-CB 4.29Å
680	T	87.9	Confident	78.3	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	63.8	159.8	172.5	79.3	0	0	0	0	114.6	E581 F584 Y599 K678 R682 R728 A729 D730 I748	E581-T680 HydrophobicContact CG-CG2 4.32Å; F584-T680 HydrophobicContact CD1-CG2 3.97Å; F584-T680 HydrophobicContact CE1-CG2 4.39Å; Y599-T680 HydrophobicContact CD1-CG2 4.19Å; Y599-T680 HydrophobicContact CE1-CG2 4.01Å; K678-T680 PolarHBondContact NZ-O 2.89Å; T680-R682 PolarHBondContact O-N 3.26Å; T680-R682 PolarHBondContact OG1-N 3.39Å; T680-R728 WeakPolarHBondContact O-CD 3.33Å; T680-A729 PolarHBondContact N-O 2.79Å; T680-D730 VanDerWaalsContact CA-OD1 3.3Å; T680-D730 WeakPolarHBondContact CA-OD1 3.49Å; T680-I748 HydrophobicContact CG2-CG2 4.23Å
681	P	79.4	Confident	76.4	Confident	37 Å²	37	47.3 Å²	47.3	24%	0.24	25%	0.249	C	C	.	.	S	Bend	trans	-63.6	-9.9	175.2	31.2	-44.3	0	0	0	114.7	K683 Y734	P681-K683 PolarHBondContact O-N 3.41Å; P681-Y734 WeakPolarHBondContact CB-OH 3.37Å; P681-Y734 HydrophobicContact CG-CE2 4.29Å; P681-Y734 VanDerWaalsContact CG-OH 3.22Å; P681-Y734 WeakPolarHBondContact CG-OH 3.33Å
682	R	77.2	Confident	74.5	Confident	23 Å²	23	50.3 Å²	50.3	9%	0.087	28%	0.276	C	S	.	.			trans	-66.8	127.9	-164.8	-151.5	143	-153.5	168.3	5.8	111.9	M576 E581 K678 T680 F685	M576-R682 VanDerWaalsContact O-CZ 3.29Å; M576-R682 PolarHBondContact O-NH1 3.24Å; M576-R682 PolarHBondContact O-NH2 2.93Å; E581-R682 IonicContact OE1-NH1 3.97Å; E581-R682 PolarHBondContact OE1-NH1 2.92Å; E581-R682 IonicContact OE2-CZ 2.75Å; E581-R682 IonicContact OE2-NH1 3.13Å; E581-R682 PolarHBondContact OE2-NH1 2.97Å; K678-R682 WeakPolarHBondContact CE-O 3.49Å; K678-R682 PolarHBondContact NZ-O 3.32Å; T680-R682 PolarHBondContact O-N 3.26Å; T680-R682 PolarHBondContact OG1-N 3.39Å; R682-F685 HydrophobicContact CB-CZ 4.35Å; R682-F685 HydrophobicContact CG-CE1 3.9Å; R682-F685 HydrophobicContact CG-CZ 3.87Å
683	K	69.3	Low	72.7	Confident	96 Å²	96	56 Å²	56	42%	0.417	31%	0.306	S	S	.	.			trans	-109.3	-52.6	-172.9	-77.7	-178.5	176.5	-167.5	0	112.4	W619 P681	W619-K683 HydrophobicContact CB-CD 4.26Å; W619-K683 HydrophobicContact CD2-CB 4.07Å; W619-K683 HydrophobicContact CD2-CD 3.82Å; W619-K683 HydrophobicContact CD2-CG 4.13Å; W619-K683 HydrophobicContact CE3-CB 3.59Å; W619-K683 HydrophobicContact CE3-CD 3.64Å; W619-K683 HydrophobicContact CE3-CG 3.5Å; W619-K683 HydrophobicContact CG-CD 4.06Å; W619-K683 VanDerWaalsContact CH2-C 3.48Å; W619-K683 HydrophobicContact CH2-CB 3.87Å; W619-K683 WeakPolarHBondContact CH2-O 3.28Å; W619-K683 HydrophobicContact CZ2-CB 4.32Å; W619-K683 HydrophobicContact CZ3-CB 3.47Å; W619-K683 VanDerWaalsContact CZ3-CB 3.47Å; W619-K683 HydrophobicContact CZ3-CD 4.41Å; W619-K683 HydrophobicContact CZ3-CG 3.8Å; W619-K683 VanDerWaalsContact CZ3-O 3.31Å; W619-K683 WeakPolarHBondContact CZ3-O 3.24Å; P681-K683 PolarHBondContact O-N 3.41Å
684	K	67.4	Low	71.2	Confident	126 Å²	126	61.8 Å²	61.8	55%	0.548	33%	0.333	S	S	.	.			trans	-116	147.6	179.5	-66.6	-173.7	176.2	-176	0	111.3	W619	W619-K684 HydrophobicContact CH2-CG 3.9Å; W619-K684 HydrophobicContact CZ2-CD 4.1Å; W619-K684 VanDerWaalsContact CZ2-CE 3.41Å; W619-K684 HydrophobicContact CZ2-CG 3.49Å; W619-K684 VanDerWaalsContact CZ2-CG 3.49Å
685	F	70.6	Confident	70	Confident	40 Å²	40	61.4 Å²	61.4	18%	0.175	34%	0.337	C	S	.	.			trans	-107.7	124	160.9	-62	-73.8	0	0	0	106.8	I574 M576 L577 Y599 P600 R682	I574-F685 HydrophobicContact CD1-CB 3.56Å; I574-F685 HydrophobicContact CD1-CD2 4.26Å; I574-F685 HydrophobicContact CD1-CG 3.88Å; I574-F685 HydrophobicContact CG2-CB 4.46Å; I574-F685 HydrophobicContact CG2-CD1 3.69Å; I574-F685 HydrophobicContact CG2-CE1 4.1Å; I574-F685 HydrophobicContact CG2-CG 3.93Å; M576-F685 HydrophobicContact CB-CD1 4.11Å; L577-F685 HydrophobicContact CD1-CE1 4.23Å; L577-F685 HydrophobicContact CD1-CZ 4.32Å; L577-F685 HydrophobicContact CD2-CE1 3.53Å; L577-F685 HydrophobicContact CD2-CZ 3.66Å; L577-F685 HydrophobicContact CG-CD1 4.41Å; L577-F685 HydrophobicContact CG-CE1 3.54Å; L577-F685 HydrophobicContact CG-CZ 3.98Å; Y599-F685 HydrophobicContact CG-CZ 4.21Å; P600-F685 HydrophobicContact CB-CE2 4.32Å; P600-F685 HydrophobicContact CG-CD2 4.1Å; P600-F685 HydrophobicContact CG-CE2 3.79Å; R682-F685 HydrophobicContact CB-CZ 4.35Å; R682-F685 HydrophobicContact CG-CE1 3.9Å; R682-F685 HydrophobicContact CG-CZ 3.87Å
686	K	61.9	Low	68.4	Low	147 Å²	147	66.1 Å²	66.1	64%	0.639	36%	0.36	S	S	*	.			trans	-122	117.2	172.9	-75	-170.3	175.3	-171.6	0	106.9	M576 P688	M576-K686 HydrophobicContact SD-CB 4.34Å; M576-K686 PolarHBondContact SD-N 3.4Å; K686-P688 VanDerWaalsContact O-CD 3.24Å; K686-P688 WeakPolarHBondContact O-CD 3.26Å
687	C	62.9	Low	66.7	Low	30 Å²	30	69.5 Å²	69.5	20%	0.203	38%	0.384	C	S	.	.			trans	-73.8	114	164.4	-179.3	0	0	0	0	108.2	D573 E689 C690	D573-C687 HydrophobicContact CB-CB 4.18Å; C687-E689 VanDerWaalsContact C-N 3.28Å; C687-E689 PolarHBondContact O-N 3.04Å; C687-C690 HydrophobicContact CB-CB 3.63Å; C687-C690 WeakPolarHBondContact CB-SG 3.31Å; C687-C690 WeakPolarHBondContact SG-CB 3.29Å; C687-C690 PolarHBondContact SG-N 3.12Å; C687-C690 CovalentContact SG-SG 2.04Å; C687-C690 PolarHBondContact SG-SG 2.96Å
688	P	56.6	Low	65	Low	101 Å²	101	74.8 Å²	74.8	66%	0.656	41%	0.412	S	S	*	.	S	Bend	trans	-75.3	-20.3	-177.3	-14.1	31.6	0	0	0	113	K686	K686-P688 VanDerWaalsContact O-CD 3.24Å; K686-P688 WeakPolarHBondContact O-CD 3.26Å
689	E	56.6	Low	63.4	Low	117 Å²	117	78.5 Å²	78.5	55%	0.547	43%	0.433	S	S	.	.	S	Bend	trans	-110	-9.5	-170.3	-62.5	177.9	-123.8	0	0	112.8	R504 C687 T691	R504-E689 IonicContact CZ-OE1 2.64Å; R504-E689 IonicContact CZ-OE2 3.3Å; R504-E689 IonicContact NH1-OE1 3.15Å; R504-E689 PolarHBondContact NH1-OE1 2.9Å; R504-E689 IonicContact NH1-OE2 2.65Å; R504-E689 PolarHBondContact NH1-OE2 2.73Å; R504-E689 IonicContact NH2-OE1 4Å; R504-E689 IonicContact NH2-OE2 2.68Å; R504-E689 PolarHBondContact NH2-OE2 2.93Å; C687-E689 VanDerWaalsContact C-N 3.28Å; C687-E689 PolarHBondContact O-N 3.04Å; E689-T691 PolarHBondContact O-N 3.11Å; E689-T691 VanDerWaalsContact O-N 3.17Å
690	C	58.3	Low	61.9	Low	46 Å²	46	87.3 Å²	87.3	31%	0.311	47%	0.474	S	S	.	.	S	Bend	trans	-70.5	111.3	171.8	-63.3	0	0	0	0	108.4	C687 A692	C687-C690 HydrophobicContact CB-CB 3.63Å; C687-C690 WeakPolarHBondContact CB-SG 3.31Å; C687-C690 WeakPolarHBondContact SG-CB 3.29Å; C687-C690 PolarHBondContact SG-N 3.12Å; C687-C690 CovalentContact SG-SG 2.04Å; C687-C690 PolarHBondContact SG-SG 2.96Å; C690-A692 PolarHBondContact O-N 2.66Å
691	T	49.1	Very low	61.2	Low	111 Å²	111	90.3 Å²	90.3	68%	0.681	49%	0.492	S	S	*	.			trans	-52.8	129.8	170.5	44.9	0	0	0	0	109.6	E689 I693	E689-T691 PolarHBondContact O-N 3.11Å; E689-T691 VanDerWaalsContact O-N 3.17Å; T691-I693 PolarHBondContact O-N 2.82Å
692	A	46.7	Very low	61.2	Low	90 Å²	90	89.4 Å²	89.4	74%	0.744	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	37.2	-169.8	0	0	0	0	0	114.8	C690	C690-A692 PolarHBondContact O-N 2.66Å
693	I	46.5	Very low	61.4	Low	129 Å²	129	92 Å²	92	66%	0.662	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-39.8	-166.2	-56.9	176	0	0	0	111.2	T691	T691-I693 PolarHBondContact O-N 2.82Å
694	D	52	Low	62.2	Low	136 Å²	136	91.6 Å²	91.6	73%	0.727	50%	0.504	S	S	*	.			trans	-138.6	81	-174.5	-65.3	-67.2	0	0	0	112.8	R498	R498-D694 PolarHBondContact NH2-O 2.78Å
695	G	59.8	Low	63.3	Low	20 Å²	20	88 Å²	88	21%	0.206	49%	0.489	C	S	.	.			trans	-127.5	122.5	171.8	0	0	0	0	0	111	S697 L698	G695-S697 PolarHBondContact O-N 2.97Å; G695-L698 VanDerWaalsContact O-CB 3.32Å; G695-L698 WeakPolarHBondContact O-CB 3.41Å; G695-L698 PolarHBondContact O-N 3.17Å
696	L	59.3	Low	64.4	Low	109 Å²	109	86.9 Å²	86.9	57%	0.571	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-55.5	-28.3	-176	-66.7	172.3	0	0	0	113.8	L552 L698 H702	L552-L696 HydrophobicContact CD1-CD1 4.24Å; L552-L696 HydrophobicContact CD2-CD1 4.44Å; L696-L698 VanDerWaalsContact C-N 3.32Å; L696-H702 PolarHBondContact O-ND1 3.32Å; L696-H702 VanDerWaalsContact O-ND1 3.09Å
697	S	58.7	Low	66	Low	80 Å²	80	81 Å²	81	56%	0.559	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-84.3	1	178.6	59.3	0	0	0	0	115	G695	G695-S697 PolarHBondContact O-N 2.97Å
698	L	58	Low	67.5	Low	115 Å²	115	84.5 Å²	84.5	60%	0.602	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-89.8	-12.3	174.3	-62.8	172.5	0	0	0	112.7	G695 L696	G695-L698 VanDerWaalsContact O-CB 3.32Å; G695-L698 WeakPolarHBondContact O-CB 3.41Å; G695-L698 PolarHBondContact O-N 3.17Å; L696-L698 VanDerWaalsContact C-N 3.32Å
699	D	60.1	Low	69.4	Low	95 Å²	95	79.7 Å²	79.7	51%	0.508	44%	0.444	S	S	.	.	S	Bend	trans	-68.8	139	173.2	-159.1	-26.4	0	0	0	110.7	T701 H702	D699-T701 VanDerWaalsContact C-N 3.28Å; D699-T701 PolarHBondContact O-N 2.89Å; D699-T701 PolarHBondContact OD1-N 3.11Å; D699-T701 PolarHBondContact OD1-OG1 2.76Å; D699-H702 HydrophobicContact CB-CB 4.36Å; D699-H702 VanDerWaalsContact O-CB 3.31Å; D699-H702 WeakPolarHBondContact O-CB 3.46Å; D699-H702 PolarHBondContact O-N 3.5Å
700	Q	61.8	Low	71.3	Confident	186 Å²	186	74.1 Å²	74.1	87%	0.869	42%	0.418	S	S	*	.	S	Bend	trans	-70.5	-25.3	179	-63.5	-176.6	4.3	0	0	112
701	T	73.5	Confident	73	Confident	63 Å²	63	74 Å²	74	39%	0.387	41%	0.413	S	S	.	.	S	Bend	trans	-77.1	-21.4	175.8	62	0	0	0	0	113.3	D699 M703 V704 E705	D699-T701 VanDerWaalsContact C-N 3.28Å; D699-T701 PolarHBondContact O-N 2.89Å; D699-T701 PolarHBondContact OD1-N 3.11Å; D699-T701 PolarHBondContact OD1-OG1 2.76Å; T701-M703 VanDerWaalsContact C-N 3.27Å; T701-M703 PolarHBondContact O-N 2.95Å; T701-M703 VanDerWaalsContact O-N 3.07Å; T701-V704 WeakPolarHBondContact O-CA 3.32Å; T701-V704 WeakPolarHBondContact O-CB 3.26Å; T701-V704 PolarHBondContact O-N 2.72Å; T701-E705 WeakPolarHBondContact CB-OE1 3.4Å; T701-E705 PolarHBondContact O-N 3.13Å; T701-E705 PolarHBondContact OG1-OE1 3.35Å
702	H	78	Confident	75.2	Confident	17 Å²	17	71.6 Å²	71.6	8%	0.079	39%	0.394	C	S	.	.	H	α-helix	trans	-54	-37.5	-168.7	-174.5	82.6	0	0	0	114.4	N658 L696 D699 R706	N658-H702 PolarHBondContact ND2-ND1 2.98Å; N658-H702 PolarHBondContact OD1-CE1 3.04Å; N658-H702 VanDerWaalsContact OD1-CE1 3.28Å; L696-H702 PolarHBondContact O-ND1 3.32Å; L696-H702 VanDerWaalsContact O-ND1 3.09Å; D699-H702 HydrophobicContact CB-CB 4.36Å; D699-H702 VanDerWaalsContact O-CB 3.31Å; D699-H702 WeakPolarHBondContact O-CB 3.46Å; D699-H702 PolarHBondContact O-N 3.5Å; H702-R706 PolarHBondContact NE2-NE 2.84Å; H702-R706 WeakPolarHBondContact O-CG 3.49Å; H702-R706 PolarHBondContact O-N 2.84Å
703	M	82.6	Confident	77.6	Confident	79 Å²	79	67.3 Å²	67.3	39%	0.389	36%	0.358	S	S	.	.	H	α-helix	trans	-78.5	-28.1	178.8	-60.6	-60.4	-178.5	0	0	113.1	Y615 T701 S707	Y615-M703 HydrophobicContact CD1-SD 4.02Å; Y615-M703 HydrophobicContact CE1-SD 3.62Å; T701-M703 VanDerWaalsContact C-N 3.27Å; T701-M703 PolarHBondContact O-N 2.95Å; T701-M703 VanDerWaalsContact O-N 3.07Å; M703-S707 PolarHBondContact O-N 3.22Å; M703-S707 PolarHBondContact O-OG 2.87Å
704	V	86.8	Confident	79.8	Confident	86 Å²	86	61.5 Å²	61.5	52%	0.521	33%	0.33	S	S	.	.	H	α-helix	trans	-71.2	-50.9	174.9	-177.3	0	0	0	0	109	T701 R706 S707 E708	T701-V704 WeakPolarHBondContact O-CA 3.32Å; T701-V704 WeakPolarHBondContact O-CB 3.26Å; T701-V704 PolarHBondContact O-N 2.72Å; V704-R706 VanDerWaalsContact C-N 3.3Å; V704-R706 PolarHBondContact O-N 3.04Å; V704-S707 WeakPolarHBondContact O-CA 3.41Å; V704-S707 VanDerWaalsContact O-CB 3.32Å; V704-S707 WeakPolarHBondContact O-CB 3.5Å; V704-S707 PolarHBondContact O-N 3.14Å; V704-E708 PolarHBondContact O-N 3.27Å
705	E	90	Very high	81.7	Confident	52 Å²	52	59.5 Å²	59.5	24%	0.243	33%	0.327	C	S	.	.	H	α-helix	trans	-53.3	-45.1	174.8	-70.5	166.5	-156.2	0	0	112	N658 T701 S707 E708 C709	N658-E705 PolarHBondContact ND2-OE2 2.81Å; T701-E705 WeakPolarHBondContact CB-OE1 3.4Å; T701-E705 PolarHBondContact O-N 3.13Å; T701-E705 PolarHBondContact OG1-OE1 3.35Å; E705-S707 VanDerWaalsContact C-N 3.28Å; E705-S707 PolarHBondContact O-N 2.93Å; E705-E708 CarbonylContact O-C 3.6Å; E705-E708 WeakPolarHBondContact O-CB 3.5Å; E705-E708 PolarHBondContact O-N 3.17Å; E705-E708 VanDerWaalsContact O-N 3.09Å; E705-C709 PolarHBondContact O-N 3.1Å; E705-C709 PolarHBondContact O-SG 3.44Å
706	R	94.3	Very high	83.1	Confident	15 Å²	15	60.7 Å²	60.7	6%	0.057	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-33.5	176.5	-78.2	-175.5	169.8	-124.2	-9.5	113.3	Y615 N658 D661 I662 H702 V704 I710	Y615-R706 HydrophobicContact CD1-CB 3.95Å; Y615-R706 HydrophobicContact CD2-CB 4.1Å; Y615-R706 HydrophobicContact CE1-CB 4.39Å; Y615-R706 HydrophobicContact CG-CB 3.77Å; Y615-R706 PolarHBondContact OH-NH1 2.86Å; N658-R706 PolarHBondContact OD1-NE 2.97Å; N658-R706 VanDerWaalsContact OD1-NE 3.11Å; D661-R706 VanDerWaalsContact CG-NH2 3.28Å; D661-R706 IonicContact OD1-CZ 2.74Å; D661-R706 IonicContact OD1-NH1 3.28Å; D661-R706 PolarHBondContact OD1-NH1 3.27Å; D661-R706 IonicContact OD1-NH2 3.56Å; D661-R706 PolarHBondContact OD1-NH2 3.3Å; D661-R706 IonicContact OD2-CZ 2.64Å; D661-R706 VanDerWaalsContact OD2-CZ 3.24Å; D661-R706 IonicContact OD2-NH1 3.39Å; D661-R706 PolarHBondContact OD2-NH1 2.97Å; D661-R706 IonicContact OD2-NH2 2.71Å; D661-R706 PolarHBondContact OD2-NH2 3.37Å; I662-R706 HydrophobicContact CD1-CB 3.78Å; I662-R706 HydrophobicContact CD1-CG 3.76Å; H702-R706 PolarHBondContact NE2-NE 2.84Å; H702-R706 WeakPolarHBondContact O-CG 3.49Å; H702-R706 PolarHBondContact O-N 2.84Å; V704-R706 VanDerWaalsContact C-N 3.3Å; V704-R706 PolarHBondContact O-N 3.04Å; R706-I710 WeakPolarHBondContact O-CG1 3.48Å; R706-I710 PolarHBondContact O-N 2.96Å
707	S	94	Very high	84.3	Confident	23 Å²	23	57.4 Å²	57.4	16%	0.161	31%	0.311	C	S	.	.	H	α-helix	trans	-69.2	-40.3	172	-57.9	0	0	0	0	111.5	Y615 M703 V704 E705 I710 N711	Y615-S707 PolarHBondContact N-OG 3.48Å; M703-S707 PolarHBondContact O-N 3.22Å; M703-S707 PolarHBondContact O-OG 2.87Å; V704-S707 WeakPolarHBondContact O-CA 3.41Å; V704-S707 VanDerWaalsContact O-CB 3.32Å; V704-S707 WeakPolarHBondContact O-CB 3.5Å; V704-S707 PolarHBondContact O-N 3.14Å; E705-S707 VanDerWaalsContact C-N 3.28Å; E705-S707 PolarHBondContact O-N 2.93Å; S707-I710 PolarHBondContact O-N 3.25Å; S707-N711 PolarHBondContact O-N 3.35Å; S707-N711 PolarHBondContact O-ND2 3.46Å
708	E	94.6	Very high	85.5	Confident	104 Å²	104	57 Å²	57	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-41.5	174.5	-65.6	-173.3	161.8	0	0	112.2	V704 E705 I710 N711 K712	V704-E708 PolarHBondContact O-N 3.27Å; E705-E708 CarbonylContact O-C 3.6Å; E705-E708 WeakPolarHBondContact O-CB 3.5Å; E705-E708 PolarHBondContact O-N 3.17Å; E705-E708 VanDerWaalsContact O-N 3.09Å; E708-I710 PolarHBondContact O-N 3.47Å; E708-N711 PolarHBondContact O-N 3.14Å; E708-K712 WeakPolarHBondContact O-CB 3.26Å; E708-K712 PolarHBondContact O-N 3.23Å
709	C	96.3	Very high	86.9	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	31%	0.313	C	S	.	.	H	α-helix	trans	-55.5	-47.7	173.6	-67.4	0	0	0	0	112.2	W652 C659 I662 E705 N711 K712 F713	W652-C709 PolarHBondContact NE1-SG 3.34Å; W652-C709 VanDerWaalsContact NE1-SG 3.37Å; C659-C709 HydrophobicContact CB-CB 3.53Å; C659-C709 WeakPolarHBondContact CB-SG 3.44Å; C659-C709 WeakPolarHBondContact SG-CB 3.38Å; C659-C709 CovalentContact SG-SG 2.03Å; C659-C709 PolarHBondContact SG-SG 3.36Å; I662-C709 HydrophobicContact CD1-CB 4.49Å; E705-C709 PolarHBondContact O-N 3.1Å; E705-C709 PolarHBondContact O-SG 3.44Å; C709-N711 VanDerWaalsContact C-N 3.32Å; C709-N711 PolarHBondContact O-N 3.13Å; C709-K712 PolarHBondContact O-N 3.24Å; C709-F713 HydrophobicContact CB-CE1 4.35Å; C709-F713 HydrophobicContact CB-CE2 3.96Å; C709-F713 HydrophobicContact CB-CZ 3.85Å; C709-F713 WeakPolarHBondContact O-CB 3.36Å; C709-F713 VanDerWaalsContact O-CD1 3.27Å; C709-F713 WeakPolarHBondContact O-CD1 3.38Å; C709-F713 WeakPolarHBondContact O-CD2 3.37Å; C709-F713 WeakPolarHBondContact O-CG 3.25Å; C709-F713 PolarHBondContact O-N 3.31Å
710	I	96.5	Very high	88.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-45.4	177.2	-66.1	174.1	0	0	0	110.9	H604 W613 Y615 M625 I662 F666 R706 S707 E708 A714 M720	H604-I710 HydrophobicContact CB-CD1 4.03Å; H604-I710 HydrophobicContact CB-CG2 4.44Å; W613-I710 HydrophobicContact CB-CB 4.4Å; W613-I710 HydrophobicContact CB-CG2 3.49Å; W613-I710 VanDerWaalsContact CB-CG2 3.49Å; W613-I710 HydrophobicContact CG-CG2 4.04Å; Y615-I710 HydrophobicContact CD2-CD1 4.1Å; Y615-I710 HydrophobicContact CG-CD1 4.38Å; M625-I710 HydrophobicContact CE-CD1 4.03Å; I662-I710 HydrophobicContact CD1-CG1 4.36Å; I662-I710 HydrophobicContact CG2-CG1 3.94Å; F666-I710 HydrophobicContact CE2-CB 4.45Å; F666-I710 HydrophobicContact CE2-CG1 4.3Å; F666-I710 HydrophobicContact CE2-CG2 4.24Å; F666-I710 HydrophobicContact CZ-CB 4.43Å; F666-I710 HydrophobicContact CZ-CG2 3.96Å; F666-I710 WeakPolarHBondContact CZ-O 3.39Å; R706-I710 WeakPolarHBondContact O-CG1 3.48Å; R706-I710 PolarHBondContact O-N 2.96Å; S707-I710 PolarHBondContact O-N 3.25Å; E708-I710 PolarHBondContact O-N 3.47Å; I710-A714 VanDerWaalsContact O-CB 3.26Å; I710-A714 WeakPolarHBondContact O-CB 3.5Å; I710-A714 PolarHBondContact O-N 3.1Å; I710-M720 HydrophobicContact CG2-CE 3.48Å; I710-M720 VanDerWaalsContact CG2-CE 3.48Å
711	N	95.3	Very high	89.7	Confident	42 Å²	42	44 Å²	44	23%	0.225	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-45.3	178.5	-72	-78.2	0	0	0	112.3	W613 S707 E708 C709 S715	W613-N711 PolarHBondContact N-OD1 2.88Å; W613-N711 PolarHBondContact O-ND2 2.96Å; S707-N711 PolarHBondContact O-N 3.35Å; S707-N711 PolarHBondContact O-ND2 3.46Å; E708-N711 PolarHBondContact O-N 3.14Å; C709-N711 VanDerWaalsContact C-N 3.32Å; C709-N711 PolarHBondContact O-N 3.13Å; N711-S715 WeakPolarHBondContact O-CB 3.24Å; N711-S715 PolarHBondContact O-N 2.86Å
712	K	95.1	Very high	90.7	Very high	61 Å²	61	41.5 Å²	41.5	27%	0.265	24%	0.243	S	C	.	.	H	α-helix	trans	-62.6	-44.3	178.3	175.9	59.8	-178.6	168.7	0	111	D648 W652 E708 C709 S715 V716	D648-K712 IonicContact OD2-NZ 3.53Å; D648-K712 PolarHBondContact OD2-NZ 3.15Å; W652-K712 HydrophobicContact CD2-CG 4.16Å; W652-K712 HydrophobicContact CE3-CD 4.48Å; W652-K712 HydrophobicContact CE3-CG 4.09Å; W652-K712 HydrophobicContact CZ3-CG 4.48Å; E708-K712 WeakPolarHBondContact O-CB 3.26Å; E708-K712 PolarHBondContact O-N 3.23Å; C709-K712 PolarHBondContact O-N 3.24Å; K712-S715 PolarHBondContact O-N 3Å; K712-V716 HydrophobicContact CD-CG2 4.23Å; K712-V716 WeakPolarHBondContact O-CG2 3.46Å; K712-V716 PolarHBondContact O-N 2.83Å
713	F	96.3	Very high	91.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-41.7	-178.5	-57.7	-8.6	0	0	0	111	I649 W652 V653 C659 I662 A663 F666 C709 S715 V716 F717	I649-F713 HydrophobicContact CB-CD1 4.21Å; I649-F713 HydrophobicContact CB-CE1 4.34Å; I649-F713 HydrophobicContact CD1-CB 4.13Å; I649-F713 HydrophobicContact CD1-CD1 4.26Å; I649-F713 HydrophobicContact CD1-CG 4.26Å; I649-F713 HydrophobicContact CG1-CD1 3.8Å; I649-F713 HydrophobicContact CG1-CE1 4.4Å; I649-F713 HydrophobicContact CG1-CG 4.31Å; I649-F713 HydrophobicContact CG2-CD1 3.79Å; I649-F713 HydrophobicContact CG2-CD2 4.37Å; I649-F713 HydrophobicContact CG2-CE1 3.74Å; I649-F713 HydrophobicContact CG2-CE2 4.31Å; I649-F713 HydrophobicContact CG2-CG 4.14Å; I649-F713 HydrophobicContact CG2-CZ 4.01Å; W652-F713 HydrophobicContact CB-CE1 4.42Å; W652-F713 AromaticContact CD1-CE1 3.91Å; W652-F713 HydrophobicContact CG-CE1 4.25Å; V653-F713 HydrophobicContact CG2-CZ 3.88Å; C659-F713 HydrophobicContact CB-CE2 4.13Å; C659-F713 HydrophobicContact CB-CZ 3.99Å; I662-F713 HydrophobicContact CB-CE2 4.16Å; I662-F713 HydrophobicContact CG2-CD2 3.89Å; I662-F713 HydrophobicContact CG2-CE2 3.91Å; A663-F713 HydrophobicContact CB-CD2 4.37Å; A663-F713 HydrophobicContact CB-CE2 3.73Å; A663-F713 HydrophobicContact CB-CZ 4.17Å; F666-F713 HydrophobicContact CD1-CB 3.69Å; F666-F713 HydrophobicContact CD2-CB 4.35Å; F666-F713 HydrophobicContact CD2-CD2 4.16Å; F666-F713 HydrophobicContact CE1-CB 3.68Å; F666-F713 HydrophobicContact CE2-CB 4.32Å; F666-F713 HydrophobicContact CE2-CD2 4.42Å; F666-F713 HydrophobicContact CG-CB 4.03Å; F666-F713 HydrophobicContact CG-CD2 4.33Å; F666-F713 HydrophobicContact CZ-CB 3.99Å; C709-F713 HydrophobicContact CB-CE1 4.35Å; C709-F713 HydrophobicContact CB-CE2 3.96Å; C709-F713 HydrophobicContact CB-CZ 3.85Å; C709-F713 WeakPolarHBondContact O-CB 3.36Å; C709-F713 VanDerWaalsContact O-CD1 3.27Å; C709-F713 WeakPolarHBondContact O-CD1 3.38Å; C709-F713 WeakPolarHBondContact O-CD2 3.37Å; C709-F713 WeakPolarHBondContact O-CG 3.25Å; C709-F713 PolarHBondContact O-N 3.31Å; F713-S715 VanDerWaalsContact C-N 3.3Å; F713-S715 PolarHBondContact O-N 3.38Å; F713-V716 PolarHBondContact O-N 2.93Å; F713-V716 VanDerWaalsContact O-N 3.13Å; F713-F717 WeakPolarHBondContact O-CD2 3.43Å; F713-F717 PolarHBondContact O-N 2.97Å
714	A	92.6	Very high	91.6	Very high	8 Å²	8	44.1 Å²	44.1	7%	0.066	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-38.8	173.4	0	0	0	0	0	112.3	F666 I710 G718 T719 M720	F666-A714 HydrophobicContact CE1-CB 4.05Å; F666-A714 HydrophobicContact CZ-CB 4.37Å; I710-A714 VanDerWaalsContact O-CB 3.26Å; I710-A714 WeakPolarHBondContact O-CB 3.5Å; I710-A714 PolarHBondContact O-N 3.1Å; A714-G718 PolarHBondContact O-N 3.4Å; A714-T719 VanDerWaalsContact CA-O 3.3Å; A714-T719 WeakPolarHBondContact CA-O 3.44Å; A714-T719 PolarHBondContact O-N 2.81Å; A714-M720 HydrophobicContact CB-CE 3.7Å
715	S	92.3	Very high	91.6	Very high	94 Å²	94	42 Å²	42	66%	0.657	25%	0.245	S	C	*	.	H	α-helix	trans	-65.5	-35.1	173.7	-178.5	0	0	0	0	113.2	N711 K712 F713	N711-S715 WeakPolarHBondContact O-CB 3.24Å; N711-S715 PolarHBondContact O-N 2.86Å; K712-S715 PolarHBondContact O-N 3Å; F713-S715 VanDerWaalsContact C-N 3.3Å; F713-S715 PolarHBondContact O-N 3.38Å
716	V	89.7	Confident	91.5	Very high	45 Å²	45	46.3 Å²	46.3	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-77.3	-36.2	179.2	172.7	0	0	0	0	111.8	P646 D648 I649 K712 F713 G718	P646-V716 HydrophobicContact CB-CG1 3.6Å; P646-V716 HydrophobicContact CG-CG1 3.99Å; D648-V716 HydrophobicContact CB-CG1 4.28Å; D648-V716 HydrophobicContact CB-CG2 3.89Å; I649-V716 HydrophobicContact CD1-CB 4.1Å; I649-V716 HydrophobicContact CD1-CG1 3.93Å; I649-V716 HydrophobicContact CG1-CB 4.09Å; I649-V716 HydrophobicContact CG1-CG1 3.92Å; I649-V716 HydrophobicContact CG1-CG2 4.38Å; K712-V716 HydrophobicContact CD-CG2 4.23Å; K712-V716 WeakPolarHBondContact O-CG2 3.46Å; K712-V716 PolarHBondContact O-N 2.83Å; F713-V716 PolarHBondContact O-N 2.93Å; F713-V716 VanDerWaalsContact O-N 3.13Å; V716-G718 VanDerWaalsContact C-N 3.3Å
717	F	84.4	Confident	91	Very high	40 Å²	40	49.7 Å²	49.7	18%	0.175	28%	0.281	C	S	.	.	H	α-helix	trans	-78.8	-11.2	173	-76.6	-69.5	0	0	0	113.5	P646 I649 F666 N670 F713 T719	P646-F717 HydrophobicContact CG-CE1 4.27Å; P646-F717 HydrophobicContact CG-CZ 4.4Å; I649-F717 HydrophobicContact CD1-CD2 3.7Å; I649-F717 HydrophobicContact CD1-CE2 3.24Å; I649-F717 HydrophobicContact CD1-CZ 3.89Å; F666-F717 HydrophobicContact CB-CD2 4.46Å; F666-F717 HydrophobicContact CB-CE2 3.95Å; F666-F717 AromaticContact CD1-CD2 3.8Å; F666-F717 HydrophobicContact CD1-CD2 3.8Å; F666-F717 HydrophobicContact CD1-CE2 4.14Å; N670-F717 HydrophobicContact CB-CD1 4.16Å; N670-F717 HydrophobicContact CB-CE1 4.05Å; N670-F717 HydrophobicContact CB-CZ 4.44Å; N670-F717 VanDerWaalsContact CG-CD1 3.43Å; N670-F717 WeakPolarHBondContact ND2-CD1 3.48Å; N670-F717 WeakPolarHBondContact ND2-CE1 3.44Å; N670-F717 WeakPolarHBondContact OD1-CD1 3.41Å; F713-F717 WeakPolarHBondContact O-CD2 3.43Å; F713-F717 PolarHBondContact O-N 2.97Å; F717-T719 PolarHBondContact O-N 3.05Å
718	G	83.8	Confident	90.8	Very high	70 Å²	70	53.9 Å²	53.9	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	4.2	-178.9	0	0	0	0	0	114.9	A714 V716	A714-G718 PolarHBondContact O-N 3.4Å; V716-G718 VanDerWaalsContact C-N 3.3Å
719	T	86.3	Confident	90.6	Very high	78 Å²	78	49.7 Å²	49.7	48%	0.479	28%	0.276	S	S	.	.	S	Bend	trans	-157.5	170.5	-179.5	-170.1	0	0	0	0	110.2	A714 F717 P721	A714-T719 VanDerWaalsContact CA-O 3.3Å; A714-T719 WeakPolarHBondContact CA-O 3.44Å; A714-T719 PolarHBondContact O-N 2.81Å; F717-T719 PolarHBondContact O-N 3.05Å; T719-P721 VanDerWaalsContact O-CD 3.24Å; T719-P721 WeakPolarHBondContact O-CD 3.35Å
720	M	91.7	Very high	90.3	Very high	32 Å²	32	51.7 Å²	51.7	16%	0.158	29%	0.287	C	S	.	.			trans	-92.3	104.6	165.4	-179.5	50.8	70.8	0	0	109.2	H604 W613 F666 I710 A714 L722	H604-M720 WeakPolarHBondContact NE2-CG 3.4Å; W613-M720 HydrophobicContact CB-CE 4.24Å; W613-M720 VanDerWaalsContact CD1-CE 3.48Å; W613-M720 HydrophobicContact CD2-CE 3.42Å; W613-M720 VanDerWaalsContact CD2-CE 3.42Å; W613-M720 VanDerWaalsContact CE2-CE 3.49Å; W613-M720 HydrophobicContact CE3-CE 4.11Å; W613-M720 HydrophobicContact CG-CE 3.45Å; W613-M720 VanDerWaalsContact CG-CE 3.45Å; W613-M720 HydrophobicContact CH2-CB 4.25Å; W613-M720 HydrophobicContact CH2-CG 4.09Å; W613-M720 HydrophobicContact CZ2-CB 3.67Å; W613-M720 HydrophobicContact CZ2-CE 4.22Å; W613-M720 HydrophobicContact CZ2-CG 3.91Å; W613-M720 HydrophobicContact CZ3-CG 4.49Å; F666-M720 HydrophobicContact CE1-CE 4.4Å; F666-M720 HydrophobicContact CE1-SD 4.01Å; F666-M720 HydrophobicContact CE2-SD 4.49Å; F666-M720 HydrophobicContact CZ-CE 3.86Å; F666-M720 HydrophobicContact CZ-SD 3.68Å; I710-M720 HydrophobicContact CG2-CE 3.48Å; I710-M720 VanDerWaalsContact CG2-CE 3.48Å; A714-M720 HydrophobicContact CB-CE 3.7Å; M720-L722 HydrophobicContact CG-CB 4.41Å; M720-L722 HydrophobicContact SD-CB 3.81Å; M720-L722 HydrophobicContact SD-CD1 4.06Å; M720-L722 HydrophobicContact SD-CG 3.88Å
721	P	90.9	Very high	89.9	Confident	15 Å²	15	52.9 Å²	52.9	10%	0.097	30%	0.295	C	S	.	.			trans	-79.9	-20.2	-179.7	32.6	-36.2	0	0	0	113	F666 A669 N670 T719 K723	F666-P721 HydrophobicContact CB-CG 4.43Å; F666-P721 HydrophobicContact CD1-CG 3.39Å; F666-P721 HydrophobicContact CE1-CG 3.86Å; F666-P721 HydrophobicContact CG-CG 4.07Å; A669-P721 HydrophobicContact CB-CB 4.24Å; A669-P721 WeakPolarHBondContact CB-O 3.3Å; N670-P721 HydrophobicContact CB-CB 3.75Å; N670-P721 HydrophobicContact CB-CG 4.16Å; T719-P721 VanDerWaalsContact O-CD 3.24Å; T719-P721 WeakPolarHBondContact O-CD 3.35Å; P721-K723 PolarHBondContact O-N 3.47Å
722	L	93.3	Very high	89.4	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.052	33%	0.325	C	S	.	.			trans	-64.7	134.1	-179.2	-61.5	-178.7	0	0	0	110.6	H604 M625 N665 F666 A669 M720	H604-L722 HydrophobicContact CB-CD1 4.08Å; H604-L722 VanDerWaalsContact CE1-CB 3.44Å; H604-L722 WeakPolarHBondContact CE1-CB 3.44Å; H604-L722 PolarHBondContact CE1-O 3.16Å; M625-L722 HydrophobicContact CE-CD1 4.19Å; M625-L722 HydrophobicContact CG-CD1 3.72Å; M625-L722 HydrophobicContact CG-CD2 3.98Å; M625-L722 HydrophobicContact CG-CG 4.49Å; M625-L722 HydrophobicContact SD-CD1 3.64Å; N665-L722 HydrophobicContact CB-CD2 4.02Å; F666-L722 HydrophobicContact CD2-CD1 3.97Å; F666-L722 HydrophobicContact CD2-CD2 4Å; F666-L722 HydrophobicContact CD2-CG 3.97Å; F666-L722 HydrophobicContact CE2-CD1 3.49Å; F666-L722 VanDerWaalsContact CE2-CD1 3.49Å; F666-L722 HydrophobicContact CE2-CD2 4.35Å; F666-L722 HydrophobicContact CE2-CG 3.83Å; F666-L722 HydrophobicContact CZ-CD1 4.12Å; F666-L722 HydrophobicContact CZ-CG 4.27Å; A669-L722 HydrophobicContact CB-CD2 4.29Å; M720-L722 HydrophobicContact CG-CB 4.41Å; M720-L722 HydrophobicContact SD-CB 3.81Å; M720-L722 HydrophobicContact SD-CD1 4.06Å; M720-L722 HydrophobicContact SD-CG 3.88Å
723	K	89.9	Confident	88.7	Confident	88 Å²	88	57.2 Å²	57.2	38%	0.383	33%	0.325	S	S	.	.			trans	-113.1	131.5	177	-71.1	-175	173.9	-176.9	0	109.8	S624 G673 A675 P721	S624-K723 WeakPolarHBondContact CA-O 3.49Å; S624-K723 WeakPolarHBondContact CB-O 3.37Å; G673-K723 WeakPolarHBondContact O-CD 3.33Å; G673-K723 WeakPolarHBondContact O-CE 3.35Å; G673-K723 PolarHBondContact O-NZ 2.83Å; A675-K723 HydrophobicContact CB-CB 3.92Å; P721-K723 PolarHBondContact O-N 3.47Å
724	V	89.6	Confident	87.9	Confident	63 Å²	63	59.7 Å²	59.7	38%	0.382	34%	0.335	S	S	.	.			trans	-80.2	135	174.5	-175.2	0	0	0	0	109.5	L603 E622	L603-V724 HydrophobicContact CD1-CB 4.49Å; L603-V724 HydrophobicContact CD1-CG1 3.87Å; L603-V724 HydrophobicContact CD1-CG2 3.91Å; E622-V724 HydrophobicContact CB-CG1 3.68Å; E622-V724 HydrophobicContact CG-CG1 3.89Å
725	V	87.6	Confident	87.2	Confident	41 Å²	41	67.4 Å²	67.4	25%	0.248	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-140.9	144.1	175.9	-71	0	0	0	0	111.8	V623 A675 H727	V623-V725 PolarHBondContact N-O 2.87Å; V623-V725 WeakPolarHBondContact O-CG2 3.35Å; V623-V725 PolarHBondContact O-N 3.32Å; A675-V725 HydrophobicContact CB-CB 4.23Å; A675-V725 HydrophobicContact CB-CG1 3.39Å; A675-V725 HydrophobicContact CB-CG2 3.75Å; V725-H727 VanDerWaalsContact C-N 3.35Å; V725-H727 HydrophobicContact CB-CB 4.41Å; V725-H727 PolarHBondContact O-N 2.95Å
726	E	87.6	Confident	86.6	Confident	142 Å²	142	66.5 Å²	66.5	66%	0.664	36%	0.355	S	S	*	.			trans	-97.9	49.3	170.2	-62.6	-167.7	117.5	0	0	111.1	E622	E622-E726 HydrophobicContact CG-CG 3.82Å
727	H	83.2	Confident	86.1	Confident	87 Å²	87	72.5 Å²	72.5	40%	0.403	39%	0.385	S	S	.	.			trans	-118.6	129.9	-174.8	-175.2	-100.1	0	0	0	112.6	V725	V725-H727 VanDerWaalsContact C-N 3.35Å; V725-H727 HydrophobicContact CB-CB 4.41Å; V725-H727 PolarHBondContact O-N 2.95Å
728	R	89.3	Confident	86	Confident	110 Å²	110	75.4 Å²	75.4	42%	0.415	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.8	172	-176.8	177.3	93.4	-142.1	-7.8	109.9	K678 T680 D730	K678-R728 HydrophobicContact CG-CB 4.36Å; K678-R728 HydrophobicContact CG-CG 3.99Å; K678-R728 CarbonylContact O-C 3.54Å; K678-R728 VanDerWaalsContact O-CA 3.3Å; K678-R728 WeakPolarHBondContact O-CA 3.42Å; T680-R728 WeakPolarHBondContact O-CD 3.33Å; R728-D730 IonicContact CZ-OD1 2.71Å; R728-D730 IonicContact CZ-OD2 3.04Å; R728-D730 VanDerWaalsContact NE-CG 3.33Å; R728-D730 IonicContact NE-OD1 3.85Å; R728-D730 PolarHBondContact NE-OD1 2.93Å; R728-D730 VanDerWaalsContact NE-OD1 3.09Å; R728-D730 IonicContact NE-OD2 3.69Å; R728-D730 PolarHBondContact NE-OD2 3.45Å; R728-D730 IonicContact NH2-OD1 2.77Å; R728-D730 IonicContact NH2-OD2 2.91Å; R728-D730 PolarHBondContact NH2-OD2 2.79Å
729	A	91.2	Very high	86	Confident	16 Å²	16	75.9 Å²	75.9	13%	0.132	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	130.2	169.1	0	0	0	0	0	110.5	F584 V588 I677 K678 V679 T680	F584-A729 WeakPolarHBondContact CE1-O 3.44Å; F584-A729 HydrophobicContact CZ-CB 4.3Å; V588-A729 HydrophobicContact CG1-CB 3.87Å; V588-A729 HydrophobicContact CG2-CB 3.87Å; I677-A729 HydrophobicContact CG2-CB 4.3Å; K678-A729 PolarHBondContact O-N 2.87Å; V679-A729 WeakPolarHBondContact CA-O 3.31Å; V679-A729 HydrophobicContact CG1-CB 4.29Å; T680-A729 PolarHBondContact N-O 2.79Å
730	D	89.9	Confident	85.7	Confident	44 Å²	44	79.1 Å²	79.1	24%	0.235	40%	0.398	C	S	.	.			trans	-132.5	158	170.1	-63.1	-52.8	0	0	0	108.7	T680 R728 Y734	T680-D730 VanDerWaalsContact CA-OD1 3.3Å; T680-D730 WeakPolarHBondContact CA-OD1 3.49Å; R728-D730 IonicContact CZ-OD1 2.71Å; R728-D730 IonicContact CZ-OD2 3.04Å; R728-D730 VanDerWaalsContact NE-CG 3.33Å; R728-D730 IonicContact NE-OD1 3.85Å; R728-D730 PolarHBondContact NE-OD1 2.93Å; R728-D730 VanDerWaalsContact NE-OD1 3.09Å; R728-D730 IonicContact NE-OD2 3.69Å; R728-D730 PolarHBondContact NE-OD2 3.45Å; R728-D730 IonicContact NH2-OD1 2.77Å; R728-D730 IonicContact NH2-OD2 2.91Å; R728-D730 PolarHBondContact NH2-OD2 2.79Å; D730-Y734 HydrophobicContact CB-CD1 3.7Å; D730-Y734 HydrophobicContact CB-CE1 4.48Å; D730-Y734 HydrophobicContact CB-CG 3.95Å
731	P	87.9	Confident	85.3	Confident	24 Å²	24	87.5 Å²	87.5	16%	0.156	43%	0.434	C	S	.	.			trans	-58.6	150.2	172.2	-20.9	28.7	0	0	0	112.7	F584 L733 Y734 F745 I748	F584-P731 HydrophobicContact CD2-CG 3.95Å; F584-P731 HydrophobicContact CE2-CB 4.35Å; F584-P731 HydrophobicContact CE2-CG 3.92Å; F584-P731 HydrophobicContact CG-CG 4.29Å; F584-P731 HydrophobicContact CZ-CG 4.23Å; P731-L733 VanDerWaalsContact C-N 3.29Å; P731-L733 PolarHBondContact O-N 2.88Å; P731-Y734 WeakPolarHBondContact O-CB 3.31Å; P731-Y734 PolarHBondContact O-N 3.33Å; P731-F745 HydrophobicContact CB-CD2 4.23Å; P731-F745 HydrophobicContact CG-CB 4.26Å; P731-F745 HydrophobicContact CG-CD2 4.07Å; P731-I748 HydrophobicContact CG-CD1 3.5Å; P731-I748 VanDerWaalsContact CG-CD1 3.5Å
732	V	84.1	Confident	84.9	Confident	141 Å²	141	91.8 Å²	91.8	86%	0.855	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-42.7	179.8	178.5	0	0	0	0	112.9	Y734	V732-Y734 VanDerWaalsContact C-N 3.31Å; V732-Y734 PolarHBondContact O-N 3.05Å
733	L	80.9	Confident	84.4	Confident	53 Å²	53	93.8 Å²	93.8	28%	0.277	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	24.6	-179.8	-58.5	178.3	0	0	0	113.3	P731 K735 D736 F738 K743	P731-L733 VanDerWaalsContact C-N 3.29Å; P731-L733 PolarHBondContact O-N 2.88Å; L733-K735 PolarHBondContact O-N 2.66Å; L733-D736 HydrophobicContact CB-CB 4.49Å; L733-D736 WeakPolarHBondContact CD2-OD2 3.41Å; L733-D736 PolarHBondContact O-N 2.93Å; L733-F738 HydrophobicContact CD1-CD1 4.29Å; L733-K743 HydrophobicContact CB-CG 4.16Å; L733-K743 HydrophobicContact CD1-CG 4.3Å
734	Y	79.7	Confident	84.1	Confident	53 Å²	53	94.6 Å²	94.6	21%	0.208	48%	0.48	C	S	.	.	S	Bend	trans	-72.5	126.1	179.8	176.2	-113.5	0	0	0	110.9	P681 D730 P731 V732 D736 I748	P681-Y734 WeakPolarHBondContact CB-OH 3.37Å; P681-Y734 HydrophobicContact CG-CE2 4.29Å; P681-Y734 VanDerWaalsContact CG-OH 3.22Å; P681-Y734 WeakPolarHBondContact CG-OH 3.33Å; D730-Y734 HydrophobicContact CB-CD1 3.7Å; D730-Y734 HydrophobicContact CB-CE1 4.48Å; D730-Y734 HydrophobicContact CB-CG 3.95Å; P731-Y734 WeakPolarHBondContact O-CB 3.31Å; P731-Y734 PolarHBondContact O-N 3.33Å; V732-Y734 VanDerWaalsContact C-N 3.31Å; V732-Y734 PolarHBondContact O-N 3.05Å; Y734-D736 PolarHBondContact O-N 3.01Å; Y734-I748 HydrophobicContact CD2-CG2 4.12Å; Y734-I748 HydrophobicContact CE2-CG2 4.2Å
735	K	78	Confident	84	Confident	170 Å²	170	93.7 Å²	93.7	74%	0.739	47%	0.471	S	S	*	.	S	Bend	trans	64.7	-3	-170.5	-61.3	-175.4	173.4	-170	0	117.1	L733	L733-K735 PolarHBondContact O-N 2.66Å
736	D	79.6	Confident	83.8	Confident	75 Å²	75	94.2 Å²	94.2	40%	0.401	48%	0.476	S	S	.	.			trans	-63.5	140.8	173.1	-74.3	-12.3	0	0	0	111.7	L733 Y734 F738 K743	L733-D736 HydrophobicContact CB-CB 4.49Å; L733-D736 WeakPolarHBondContact CD2-OD2 3.41Å; L733-D736 PolarHBondContact O-N 2.93Å; Y734-D736 PolarHBondContact O-N 3.01Å; D736-F738 HydrophobicContact CB-CB 4.44Å; D736-F738 PolarHBondContact O-N 3.02Å; D736-K743 WeakPolarHBondContact O-CE 3.12Å; D736-K743 PolarHBondContact O-NZ 2.95Å
737	D	80.1	Confident	83.7	Confident	170 Å²	170	91.1 Å²	91.1	91%	0.909	46%	0.464	S	S	*	.	S	Bend	trans	-78.2	74.1	172.9	-169.1	17.8	0	0	0	110
738	F	80.5	Confident	83.7	Confident	102 Å²	102	87.7 Å²	87.7	45%	0.447	45%	0.448	S	S	.	.			trans	-130.3	142.4	-176.3	-131.3	-112	0	0	0	110.4	L733 D736 E740 L742 K743	L733-F738 HydrophobicContact CD1-CD1 4.29Å; D736-F738 HydrophobicContact CB-CB 4.44Å; D736-F738 PolarHBondContact O-N 3.02Å; F738-E740 PolarHBondContact O-N 2.79Å; F738-L742 HydrophobicContact CD1-CB 3.87Å; F738-L742 HydrophobicContact CD1-CD1 3.92Å; F738-L742 HydrophobicContact CE1-CB 4.11Å; F738-L742 HydrophobicContact CE1-CD1 3.59Å; F738-K743 VanDerWaalsContact O-CE 3.23Å; F738-K743 WeakPolarHBondContact O-CE 3.4Å; F738-K743 PolarHBondContact O-NZ 2.95Å
739	P	84.2	Confident	82.9	Confident	80 Å²	80	84.3 Å²	84.3	52%	0.519	45%	0.448	S	S	.	.			trans	-53.9	131.5	-179.8	-26.6	34	0	0	0	112.4	K741 L742	P739-K741 PolarHBondContact O-N 2.04Å; P739-L742 HydrophobicContact CB-CD1 4.41Å; P739-L742 HydrophobicContact CB-CG 4.5Å; P739-L742 HydrophobicContact CG-CD1 4.31Å; P739-L742 WeakPolarHBondContact O-CB 3.4Å; P739-L742 PolarHBondContact O-N 3.02Å
740	E	81.1	Confident	81.8	Confident	145 Å²	145	86 Å²	86	68%	0.678	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-52.6	-35.4	-176.5	-66.5	176.7	167	0	0	113.4	F738 L742 K743 P746	F738-E740 PolarHBondContact O-N 2.79Å; E740-L742 PolarHBondContact O-N 3.49Å; E740-L742 VanDerWaalsContact O-N 3.08Å; E740-K743 PolarHBondContact O-N 2.82Å; E740-P746 HydrophobicContact CB-CB 4.16Å
741	K	82.1	Confident	80.1	Confident	208 Å²	208	92.2 Å²	92.2	90%	0.904	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-61.2	-15.9	177.2	-62.8	-176.9	-179.7	179.2	0	114.7	P739	P739-K741 PolarHBondContact O-N 2.04Å
742	L	82.8	Confident	79.7	Confident	106 Å²	106	95.6 Å²	95.6	56%	0.555	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-104.2	-4.8	178.3	-58.9	178.2	0	0	0	112.3	F738 P739 E740	F738-L742 HydrophobicContact CD1-CB 3.87Å; F738-L742 HydrophobicContact CD1-CD1 3.92Å; F738-L742 HydrophobicContact CE1-CB 4.11Å; F738-L742 HydrophobicContact CE1-CD1 3.59Å; P739-L742 HydrophobicContact CB-CD1 4.41Å; P739-L742 HydrophobicContact CB-CG 4.5Å; P739-L742 HydrophobicContact CG-CD1 4.31Å; P739-L742 WeakPolarHBondContact O-CB 3.4Å; P739-L742 PolarHBondContact O-N 3.02Å; E740-L742 PolarHBondContact O-N 3.49Å; E740-L742 VanDerWaalsContact O-N 3.08Å
743	K	83.2	Confident	79.5	Confident	51 Å²	51	93.2 Å²	93.2	22%	0.222	49%	0.489	C	S	.	.			trans	-91.6	129	173.3	-64.3	179.5	174.5	169.4	0	108.7	L733 D736 F738 E740 F745 P746	L733-K743 HydrophobicContact CB-CG 4.16Å; L733-K743 HydrophobicContact CD1-CG 4.3Å; D736-K743 WeakPolarHBondContact O-CE 3.12Å; D736-K743 PolarHBondContact O-NZ 2.95Å; F738-K743 VanDerWaalsContact O-CE 3.23Å; F738-K743 WeakPolarHBondContact O-CE 3.4Å; F738-K743 PolarHBondContact O-NZ 2.95Å; E740-K743 PolarHBondContact O-N 2.82Å; K743-F745 PolarHBondContact O-N 2.71Å; K743-P746 HydrophobicContact CB-CB 4.49Å; K743-P746 WeakPolarHBondContact O-CD 3.24Å
744	S	82.8	Confident	79.4	Confident	105 Å²	105	95.4 Å²	95.4	73%	0.734	50%	0.5	S	S	*	.	S	Bend	trans	-67.8	-22.3	176.4	-48.2	0	0	0	0	113.4
745	F	88.1	Confident	79.4	Confident	45 Å²	45	97.9 Å²	97.9	20%	0.197	52%	0.518	C	S	.	.			trans	-137.4	67.8	-176.5	-56.7	-69.2	0	0	0	110.6	D580 Q583 F584 E587 P731 K743 N747 I748	D580-F745 HydrophobicContact CB-CB 4.18Å; D580-F745 HydrophobicContact CB-CD1 4.24Å; Q583-F745 HydrophobicContact CB-CE1 4.01Å; Q583-F745 HydrophobicContact CG-CE1 3.74Å; Q583-F745 HydrophobicContact CG-CZ 4.46Å; F584-F745 HydrophobicContact CB-CD1 4.14Å; F584-F745 HydrophobicContact CB-CD2 4.33Å; F584-F745 HydrophobicContact CB-CE1 4.13Å; F584-F745 HydrophobicContact CB-CE2 4.32Å; F584-F745 HydrophobicContact CB-CG 4.24Å; F584-F745 HydrophobicContact CB-CZ 4.22Å; F584-F745 AromaticContact CD2-CD2 3.91Å; F584-F745 HydrophobicContact CD2-CD2 3.91Å; F584-F745 AromaticContact CD2-CE2 3.73Å; F584-F745 HydrophobicContact CD2-CE2 3.73Å; F584-F745 HydrophobicContact CD2-CZ 4.29Å; F584-F745 HydrophobicContact CG-CD2 4.49Å; F584-F745 HydrophobicContact CG-CE2 4.5Å; E587-F745 HydrophobicContact CG-CZ 4.19Å; P731-F745 HydrophobicContact CB-CD2 4.23Å; P731-F745 HydrophobicContact CG-CB 4.26Å; P731-F745 HydrophobicContact CG-CD2 4.07Å; K743-F745 PolarHBondContact O-N 2.71Å; F745-N747 VanDerWaalsContact C-N 3.25Å; F745-N747 PolarHBondContact O-N 3.16Å; F745-I748 HydrophobicContact CB-CD1 3.44Å; F745-I748 VanDerWaalsContact CB-CD1 3.44Å; F745-I748 HydrophobicContact CB-CG1 3.89Å; F745-I748 HydrophobicContact CD2-CD1 4.47Å; F745-I748 HydrophobicContact CG-CD1 3.93Å
746	P	84.1	Confident	79.5	Confident	52 Å²	52	93.4 Å²	93.4	34%	0.338	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.8	-174.2	25.9	-33.9	0	0	0	113.6	D580 E740 K743 I748	D580-P746 WeakPolarHBondContact OD2-CD 3.28Å; E740-P746 HydrophobicContact CB-CB 4.16Å; K743-P746 HydrophobicContact CB-CB 4.49Å; K743-P746 WeakPolarHBondContact O-CD 3.24Å; P746-I748 PolarHBondContact O-N 3.1Å
747	N	84.3	Confident	79.5	Confident	77 Å²	77	94.7 Å²	94.7	41%	0.412	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	25.1	-175.8	-50.8	-79	0	0	0	113.9	T578 D580 F745 S750	T578-N747 HydrophobicContact CG2-CB 4.45Å; T578-N747 WeakPolarHBondContact CG2-O 3.48Å; T578-N747 PolarHBondContact OG1-O 3.02Å; D580-N747 HydrophobicContact CB-CB 4.12Å; D580-N747 WeakPolarHBondContact OD2-CA 3.28Å; D580-N747 VanDerWaalsContact OD2-CB 3.24Å; D580-N747 WeakPolarHBondContact OD2-CB 3.3Å; D580-N747 PolarHBondContact OD2-N 3.41Å; D580-N747 PolarHBondContact OD2-ND2 2.84Å; F745-N747 VanDerWaalsContact C-N 3.25Å; F745-N747 PolarHBondContact O-N 3.16Å; N747-S750 VanDerWaalsContact C-OG 3.25Å; N747-S750 WeakPolarHBondContact CA-OG 3.42Å; N747-S750 WeakPolarHBondContact CB-OG 3.01Å; N747-S750 PolarHBondContact O-OG 2.94Å
748	I	84.5	Confident	79.4	Confident	15 Å²	15	89.3 Å²	89.3	8%	0.077	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	122.3	175.2	-77.6	-178.5	0	0	0	110.9	D580 E581 F584 T680 P731 Y734 F745 P746 S750	D580-I748 HydrophobicContact CB-CG1 4.08Å; E581-I748 HydrophobicContact CG-CB 4.39Å; E581-I748 HydrophobicContact CG-CG1 3.87Å; F584-I748 HydrophobicContact CB-CD1 3.49Å; F584-I748 VanDerWaalsContact CB-CD1 3.49Å; F584-I748 HydrophobicContact CD1-CD1 3.93Å; F584-I748 HydrophobicContact CD2-CD1 4.39Å; F584-I748 HydrophobicContact CG-CD1 3.67Å; T680-I748 HydrophobicContact CG2-CG2 4.23Å; P731-I748 HydrophobicContact CG-CD1 3.5Å; P731-I748 VanDerWaalsContact CG-CD1 3.5Å; Y734-I748 HydrophobicContact CD2-CG2 4.12Å; Y734-I748 HydrophobicContact CE2-CG2 4.2Å; F745-I748 HydrophobicContact CB-CD1 3.44Å; F745-I748 VanDerWaalsContact CB-CD1 3.44Å; F745-I748 HydrophobicContact CB-CG1 3.89Å; F745-I748 HydrophobicContact CD2-CD1 4.47Å; F745-I748 HydrophobicContact CG-CD1 3.93Å; P746-I748 PolarHBondContact O-N 3.1Å; I748-S750 PolarHBondContact O-N 2.78Å
749	G	72.6	Confident	79.3	Confident	39 Å²	39	88.3 Å²	88.3	40%	0.402	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	7	-172.6	0	0	0	0	0	114.6	E581 L751	E581-G749 PolarHBondContact OE1-N 2.99Å; E581-G749 VanDerWaalsContact OE1-N 3.11Å; G749-L751 PolarHBondContact O-N 2.99Å
750	S	67.3	Low	78.9	Confident	50 Å²	50	89 Å²	89	35%	0.35	48%	0.482	S	S	.	.			trans	-82.8	104.8	171.6	63.4	0	0	0	0	110.2	N747 I748	N747-S750 VanDerWaalsContact C-OG 3.25Å; N747-S750 WeakPolarHBondContact CA-OG 3.42Å; N747-S750 WeakPolarHBondContact CB-OG 3.01Å; N747-S750 PolarHBondContact O-OG 2.94Å; I748-S750 PolarHBondContact O-N 2.78Å
751	L	54.3	Low	78.7	Confident	175 Å²	175	83.9 Å²	83.9	92%	0.916	46%	0.464	S	S	*	.			trans	176.4	0	159.2	-104.9	162.7	0	0	0	110.3	M576 T578 G749	M576-L751 WeakPolarHBondContact O-CD1 3.47Å; T578-L751 HydrophobicContact CG2-CD1 4.21Å; G749-L751 PolarHBondContact O-N 2.99Å

Retrieved 751 of 751 residues in 166.6 ms (Link to these results)

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