A0A096MXR7_PAPAN 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 (A0A2K6AXZ7), UniProt , Accession A0A096MXR7, Species PAPAN (Papio anubis, Olive baboon), Gene EXT2, Length 751 aa.

Structure Viewer

Loading PAE data...

(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 229.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).