A0A087Y5V5_POEFO Loading...

Lysine--tRNA ligase

Catalyzes the specific attachment of an amino acid to its cognate tRNA in a 2 step reaction: the amino acid (AA) is first activated by ATP to form AA-AMP and then transferred to the acceptor end of the tRNA. When secreted, acts as a signaling molecule that induces immune response through the activation of monocyte/macrophages. Catalyzes the synthesis of the signaling molecule diadenosine tetraphosphate (Ap4A), and thereby mediates disruption of the complex between HINT1 and MITF and the concomitant activation of MITF transcriptional activity.

AlphaFold DB , UniProt , Accession A0A087Y5V5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 609 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	31.8	Very low	252 Å²	252	177.6 Å²	177.6	100%	1.241	92%	0.917	S	S	*	*				0	45.5	0	-93.9	-179.9	-166.2	0	0	111.5
2	L	33.6	Very low	31.4	Very low	171 Å²	171	177.9 Å²	177.9	90%	0.895	92%	0.92	S	S	*	*			trans	-97	111.1	149.7	-86.2	95.8	0	0	0	105.3
3	C	29.1	Very low	31.1	Very low	124 Å²	124	173 Å²	173	84%	0.838	91%	0.908	S	S	*	*			trans	152.7	76.3	163.5	-90.6	0	0	0	0	108.4
4	L	30.1	Very low	30.9	Very low	175 Å²	175	173.9 Å²	173.9	92%	0.916	91%	0.905	S	S	*	*			trans	-172.6	102.2	156.8	-102.4	143.1	0	0	0	106.7
5	V	35.2	Very low	30.6	Very low	143 Å²	143	167.9 Å²	167.9	87%	0.867	89%	0.891	S	S	*	*	S	Bend	trans	148.6	59.4	154.4	-172.6	0	0	0	0	107.2
6	R	31.3	Very low	30.4	Very low	255 Å²	255	169.8 Å²	169.8	96%	0.962	89%	0.889	S	S	*	*			trans	-138.3	59.2	162.4	-94.6	-169.3	175.5	-177.4	-0.2	107.3
7	A	31	Very low	30.2	Very low	100 Å²	100	164.9 Å²	164.9	83%	0.826	88%	0.88	S	S	*	*			trans	-164.9	59	175.7	0	0	0	0	0	111.1
8	A	31.3	Very low	30.1	Very low	94 Å²	94	162.3 Å²	162.3	78%	0.777	87%	0.871	S	S	*	*	S	Bend	trans	-167	80.1	164	0	0	0	0	0	110.4
9	R	30.3	Very low	30	Very low	252 Å²	252	166.3 Å²	166.3	95%	0.951	87%	0.872	S	S	*	*			trans	172.9	64.2	150.2	-97.7	172.8	-179.9	-157.1	1.2	110.3
10	Q	27.9	Very low	29.8	Very low	193 Å²	193	161.7 Å²	161.7	90%	0.902	87%	0.867	S	S	*	*			trans	-138.9	91	156.5	-98.1	-172.6	-12.5	0	0	106.9
11	Q	30.4	Very low	29.7	Very low	195 Å²	195	163.1 Å²	163.1	91%	0.911	87%	0.868	S	S	*	*			trans	-174.6	92.5	153.5	-107	173.7	7.9	0	0	108.9
12	L	27.1	Very low	29	Very low	181 Å²	181	162.1 Å²	162.1	95%	0.948	85%	0.85	S	S	*	*			trans	-158.9	74.5	155.6	-109	147.9	0	0	0	107.2
13	C	27.1	Very low	28.7	Very low	114 Å²	114	160.6 Å²	160.6	77%	0.77	84%	0.842	S	S	*	*			trans	-77.8	144.4	146.7	-74.2	0	0	0	0	105.7
14	Q	28.3	Very low	28.5	Very low	186 Å²	186	162.7 Å²	162.7	87%	0.869	84%	0.837	S	S	*	*			cis	-175.4	146.3	34.4	-118.6	166.8	15.4	0	0	105.7
15	A	27.1	Very low	28.4	Very low	83 Å²	83	164.4 Å²	164.4	69%	0.686	83%	0.833	S	S	*	*				173.8	137.1	127.9	0	0	0	0	0	112.5
16	F	26.7	Very low	27.9	Very low	198 Å²	198	162 Å²	162	87%	0.868	83%	0.829	S	S	*	*			trans	78.4	91.3	172.1	-62.1	-78.7	0	0	0	116.7
17	A	27.1	Very low	27.9	Very low	88 Å²	88	155.5 Å²	155.5	73%	0.727	82%	0.822	S	S	*	*				64.6	132.4	67.8	0	0	0	0	0	112.5
18	V	28.9	Very low	28.3	Very low	118 Å²	118	156.5 Å²	156.5	72%	0.715	82%	0.82	S	S	*	*			cis	-176.2	135.3	11.3	137.7	0	0	0	0	105
19	R	27.8	Very low	28	Very low	238 Å²	238	157.7 Å²	157.7	90%	0.898	82%	0.821	S	S	*	*				145.7	122.2	111.2	-117.1	154.7	-158.7	-153	3.7	106.1
20	G	27	Very low	27.9	Very low	74 Å²	74	151 Å²	151	76%	0.763	81%	0.813	S	S	*	*				69.9	129.7	81.6	0	0	0	0	0	111.2
21	Q	27.4	Very low	27.9	Very low	191 Å²	191	146.7 Å²	146.7	89%	0.893	81%	0.811	S	S	*	*			cis	-174.9	154.6	22	-137.9	167.8	-1.9	0	0	109
22	W	24.9	Very low	27.7	Very low	231 Å²	231	142 Å²	142	88%	0.875	81%	0.805	S	S	*	*			trans	-20.5	141.3	162.7	-67.9	67.4	0	0	0	121.3
23	L	25.6	Very low	27.8	Very low	139 Å²	139	137.7 Å²	137.7	73%	0.728	80%	0.796	S	S	*	*				159.8	125.8	115.9	-91.7	152.6	0	0	0	114.7
24	K	26.7	Very low	28.5	Very low	168 Å²	168	138.3 Å²	138.3	73%	0.73	80%	0.798	S	S	*	*			trans	42.2	134.7	132.4	-80.8	-176.9	-177.2	-179.4	0	124.1
25	Y	26.3	Very low	28.4	Very low	212 Å²	212	133.8 Å²	133.8	83%	0.831	79%	0.792	S	S	*	*			trans	87.8	131.9	143.6	-85.4	-72.5	0	0	0	122.5
26	A	25.8	Very low	28.4	Very low	93 Å²	93	137.9 Å²	137.9	77%	0.769	80%	0.797	S	S	*	*			trans	87.7	122.8	143	0	0	0	0	0	120.8
27	S	30.8	Very low	28.5	Very low	117 Å²	117	136.8 Å²	136.8	82%	0.818	79%	0.793	S	S	*	*			trans	-72.1	155.3	150.1	-51.1	0	0	0	0	109.7
28	P	39	Very low	28.6	Very low	122 Å²	122	140.9 Å²	140.9	79%	0.792	80%	0.797	S	S	*	*				-155.2	168.1	82	39.1	-18.1	0	0	0	117.7
29	C	25.1	Very low	28.5	Very low	118 Å²	118	138.6 Å²	138.6	80%	0.797	80%	0.796	S	S	*	*			trans	41.5	125.4	145.3	-100.6	0	0	0	0	125.2
30	S	29.5	Very low	28.6	Very low	112 Å²	112	135.2 Å²	135.2	78%	0.783	80%	0.795	S	S	*	*				63.4	125.7	120.1	77.9	0	0	0	0	123.1
31	A	27.3	Very low	28.7	Very low	103 Å²	103	143 Å²	143	85%	0.851	80%	0.801	S	S	*	*			trans	171.9	153.9	134.1	0	0	0	0	0	108
32	A	27.1	Very low	28.8	Very low	95 Å²	95	142.9 Å²	142.9	79%	0.785	79%	0.792	S	S	*	*			cis	-170.2	155.4	-19.5	0	0	0	0	0	107
33	A	27.3	Very low	29.3	Very low	92 Å²	92	143.9 Å²	143.9	76%	0.76	80%	0.796	S	S	*	*			trans	-13.5	168.6	157.9	0	0	0	0	0	119.9
34	P	42.2	Very low	29.9	Very low	126 Å²	126	140.3 Å²	140.3	82%	0.818	79%	0.793	S	S	*	*			cis	-159.3	174.5	42.1	42.5	-19	0	0	0	120.8
35	A	27.8	Very low	30.8	Very low	91 Å²	91	137.4 Å²	137.4	75%	0.752	79%	0.785	S	S	*	*			trans	164.8	101.4	130.3	0	0	0	0	0	110.5
36	Q	26.2	Very low	31.8	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	79%	0.785	S	S	*	*				57.2	114.9	99.8	-74.7	-171	-13.5	0	0	117
37	F	28.2	Very low	33.1	Very low	175 Å²	175	134.9 Å²	134.9	77%	0.768	77%	0.769	S	S	*	*				179.5	160.5	103.7	-108.9	-86	0	0	0	113.2
38	H	29.5	Very low	34.3	Very low	175 Å²	175	133.5 Å²	133.5	81%	0.81	75%	0.75	S	S	*	*			trans	-54.1	161.7	-172.3	-57.6	-4.8	0	0	0	115.1
39	G	27.6	Very low	35.4	Very low	69 Å²	69	133.6 Å²	133.6	71%	0.711	74%	0.743	S	S	*	*			cis	129.5	129.7	21.4	0	0	0	0	0	109.4
40	I	30.1	Very low	37.1	Very low	168 Å²	168	135.7 Å²	135.7	86%	0.862	74%	0.739	S	S	*	*			trans	114.3	98.8	160.7	-54.7	165.5	0	0	0	117.9
41	R	29.2	Very low	38.9	Very low	238 Å²	238	139.9 Å²	139.9	90%	0.898	74%	0.737	S	S	*	*				53.1	106.7	126.2	-145.9	171.8	-172.4	171.6	1.8	121.2
42	W	28	Very low	40.9	Very low	188 Å²	188	143.3 Å²	143.3	71%	0.712	73%	0.728	S	S	*	*			trans	-57	131.3	163.1	-107.3	67.4	0	0	0	115.1	E48	W42-E48 WeakPolarHBondContact CH2-OE2 3.48Å; W42-E48 WeakPolarHBondContact CZ2-OE2 3.26Å
43	R	35.4	Very low	42.7	Very low	251 Å²	251	144.3 Å²	144.3	95%	0.947	72%	0.718	S	S	*	*			trans	-116.1	128.3	143.8	-78.9	-168.3	-151.4	-123	4.4	106.9
44	G	39.9	Very low	44.8	Very low	64 Å²	64	147.8 Å²	147.8	66%	0.66	72%	0.716	S	S	*	*			trans	-61.9	134.1	-173.4	0	0	0	0	0	113.3
45	D	43.9	Very low	46	Very low	108 Å²	108	144.7 Å²	144.7	58%	0.578	70%	0.701	S	S	*	*			trans	-99.1	130.2	170.1	-170.6	17.4	0	0	0	109.3	S47 E48	D45-S47 PolarHBondContact O-N 2.75Å; D45-S47 WeakPolarHBondContact OD2-CB 3.42Å; D45-S47 PolarHBondContact OD2-OG 3.23Å; D45-E48 PolarHBondContact O-N 3.03Å; D45-E48 VanDerWaalsContact O-N 3.17Å
46	K	48.8	Very low	48.1	Very low	188 Å²	188	146.6 Å²	146.6	82%	0.817	70%	0.695	S	S	*	*	H	α-helix	trans	-59.3	-7.1	179.6	-76.9	176.1	174.9	175.6	0	112.8
47	S	52.4	Low	50.2	Low	63 Å²	63	145.6 Å²	145.6	44%	0.441	69%	0.688	S	S	.	*	H	α-helix	trans	-74.9	-30.2	176.9	75.1	0	0	0	0	113.6	D45 R51	D45-S47 PolarHBondContact O-N 2.75Å; D45-S47 WeakPolarHBondContact OD2-CB 3.42Å; D45-S47 PolarHBondContact OD2-OG 3.23Å; S47-R51 PolarHBondContact O-N 3.47Å; S47-R51 VanDerWaalsContact O-N 3.1Å
48	E	56.7	Low	52.1	Low	88 Å²	88	144.4 Å²	144.4	41%	0.411	68%	0.682	S	S	.	*	H	α-helix	trans	-80.6	-35.2	-175.5	-145.7	170.4	166	0	0	112.4	W42 D45 R51 R52	W42-E48 WeakPolarHBondContact CH2-OE2 3.48Å; W42-E48 WeakPolarHBondContact CZ2-OE2 3.26Å; D45-E48 PolarHBondContact O-N 3.03Å; D45-E48 VanDerWaalsContact O-N 3.17Å; E48-R51 WeakPolarHBondContact O-CB 3.3Å; E48-R51 PolarHBondContact O-N 2.89Å; E48-R52 PolarHBondContact O-N 2.92Å
49	L	62.2	Low	54	Low	125 Å²	125	138.6 Å²	138.6	65%	0.654	66%	0.664	S	S	*	*	H	α-helix	trans	-65.3	-38.5	172.4	-143.5	102.7	0	0	0	111.5	R51 R52 M53	L49-R51 VanDerWaalsContact C-N 3.35Å; L49-R52 PolarHBondContact O-N 2.83Å; L49-M53 PolarHBondContact O-N 3.06Å
50	K	60.3	Low	56.1	Low	161 Å²	161	138 Å²	138	70%	0.7	65%	0.652	S	S	*	*	H	α-helix	trans	-65.8	-36.1	172.9	-90.2	-175.9	174.9	179.8	0	112.3	K54	K50-K54 WeakPolarHBondContact O-CB 3.3Å; K50-K54 PolarHBondContact O-N 2.88Å; K50-K54 VanDerWaalsContact O-N 3.09Å
51	R	67.9	Low	58	Low	201 Å²	201	135 Å²	135	76%	0.758	64%	0.635	S	S	*	*	H	α-helix	trans	-66.4	-41.8	175.4	-110.5	178.4	155.6	179.3	-6.2	111.9	S47 E48 L49 K54 A55	S47-R51 PolarHBondContact O-N 3.47Å; S47-R51 VanDerWaalsContact O-N 3.1Å; E48-R51 WeakPolarHBondContact O-CB 3.3Å; E48-R51 PolarHBondContact O-N 2.89Å; L49-R51 VanDerWaalsContact C-N 3.35Å; R51-K54 PolarHBondContact O-N 3.2Å; R51-A55 WeakPolarHBondContact O-CB 3.36Å; R51-A55 PolarHBondContact O-N 3.12Å
52	R	67.9	Low	59.9	Low	175 Å²	175	131.5 Å²	131.5	66%	0.66	63%	0.626	S	S	*	*	H	α-helix	trans	-65.1	-47.6	175.7	-76.9	-175.8	172.5	-166.7	-2.4	112.7	E48 L49 K54 A55 E56	E48-R52 PolarHBondContact O-N 2.92Å; L49-R52 PolarHBondContact O-N 2.83Å; R52-K54 VanDerWaalsContact C-N 3.29Å; R52-K54 PolarHBondContact O-N 3.31Å; R52-A55 WeakPolarHBondContact O-CB 3.19Å; R52-A55 PolarHBondContact O-N 2.71Å; R52-E56 PolarHBondContact O-N 3.42Å
53	M	66.4	Low	61.8	Low	115 Å²	115	129.1 Å²	129.1	57%	0.567	62%	0.623	S	S	*	*	H	α-helix	trans	-62.9	-34	176.7	-74.1	-151.5	-73.7	0	0	113	L49 K57	L49-M53 PolarHBondContact O-N 3.06Å; M53-K57 WeakPolarHBondContact O-CB 3.29Å; M53-K57 PolarHBondContact O-N 2.85Å
54	K	69.7	Low	63.1	Low	165 Å²	165	119.9 Å²	119.9	72%	0.717	60%	0.597	S	S	*	*	H	α-helix	trans	-70.8	-33.7	174.3	-166.4	173.3	-177.6	177.7	0	112.1	K50 R51 R52 K58	K50-K54 WeakPolarHBondContact O-CB 3.3Å; K50-K54 PolarHBondContact O-N 2.88Å; K50-K54 VanDerWaalsContact O-N 3.09Å; R51-K54 PolarHBondContact O-N 3.2Å; R52-K54 VanDerWaalsContact C-N 3.29Å; R52-K54 PolarHBondContact O-N 3.31Å; K54-K58 WeakPolarHBondContact O-CB 3.05Å; K54-K58 PolarHBondContact O-N 3.23Å
55	A	68.9	Low	64.4	Low	62 Å²	62	123.5 Å²	123.5	51%	0.512	59%	0.594	S	S	.	*	H	α-helix	trans	-70.9	-42.4	175.1	0	0	0	0	0	111.9	R51 R52 K58 A59	R51-A55 WeakPolarHBondContact O-CB 3.36Å; R51-A55 PolarHBondContact O-N 3.12Å; R52-A55 WeakPolarHBondContact O-CB 3.19Å; R52-A55 PolarHBondContact O-N 2.71Å; A55-K58 PolarHBondContact O-N 2.72Å; A55-A59 WeakPolarHBondContact O-CB 3.25Å; A55-A59 PolarHBondContact O-N 3.48Å
56	E	72.1	Confident	65.4	Low	131 Å²	131	121.1 Å²	121.1	61%	0.612	59%	0.59	S	S	*	*	H	α-helix	trans	-65.4	-42.1	175.9	-75.7	172.7	171.4	0	0	111.9	R52 K58 A59 A60	R52-E56 PolarHBondContact O-N 3.42Å; E56-K58 VanDerWaalsContact C-N 3.28Å; E56-K58 PolarHBondContact O-N 3.17Å; E56-A59 PolarHBondContact O-N 3.43Å; E56-A60 WeakPolarHBondContact O-CB 3.3Å; E56-A60 PolarHBondContact O-N 3.17Å
57	K	68.9	Low	65.8	Low	148 Å²	148	119.3 Å²	119.3	64%	0.643	58%	0.582	S	S	*	*	H	α-helix	trans	-62.9	-36.2	175.5	-157.4	175.9	-174.4	-177.5	0	112.2	M53 E61	M53-K57 WeakPolarHBondContact O-CB 3.29Å; M53-K57 PolarHBondContact O-N 2.85Å; K57-E61 WeakPolarHBondContact O-CB 3.46Å; K57-E61 WeakPolarHBondContact O-CG 3.39Å; K57-E61 PolarHBondContact O-N 2.87Å
58	K	69.1	Low	65.9	Low	150 Å²	150	120.9 Å²	120.9	65%	0.652	59%	0.585	S	S	*	*	H	α-helix	trans	-75.7	-27.8	177	-147.8	179.1	-170.5	-173.1	0	112.7	K54 A55 E56 K62	K54-K58 WeakPolarHBondContact O-CB 3.05Å; K54-K58 PolarHBondContact O-N 3.23Å; A55-K58 PolarHBondContact O-N 2.72Å; E56-K58 VanDerWaalsContact C-N 3.28Å; E56-K58 PolarHBondContact O-N 3.17Å; K58-K62 WeakPolarHBondContact O-CB 3.25Å; K58-K62 PolarHBondContact O-N 3.06Å
59	A	68.3	Low	65.7	Low	53 Å²	53	122.1 Å²	122.1	44%	0.438	59%	0.594	S	S	.	*	H	α-helix	trans	-72.9	-43	171.7	0	0	0	0	0	111	A55 E56 K62 E63	A55-A59 WeakPolarHBondContact O-CB 3.25Å; A55-A59 PolarHBondContact O-N 3.48Å; E56-A59 PolarHBondContact O-N 3.43Å; A59-K62 WeakPolarHBondContact O-CA 3.14Å; A59-K62 WeakPolarHBondContact O-CB 3.16Å; A59-K62 PolarHBondContact O-N 2.92Å; A59-K62 VanDerWaalsContact O-N 3.09Å; A59-E63 PolarHBondContact O-N 3.1Å
60	A	71.1	Confident	64.8	Low	55 Å²	55	117.8 Å²	117.8	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-64.2	-39.5	174.9	0	0	0	0	0	112.5	E56 K62 E63 S64	E56-A60 WeakPolarHBondContact O-CB 3.3Å; E56-A60 PolarHBondContact O-N 3.17Å; A60-K62 VanDerWaalsContact C-N 3.29Å; A60-K62 PolarHBondContact O-N 3Å; A60-E63 PolarHBondContact O-N 3.05Å; A60-S64 WeakPolarHBondContact O-CB 3.38Å; A60-S64 PolarHBondContact O-N 3.44Å
61	E	70.8	Confident	64.2	Low	106 Å²	106	116.9 Å²	116.9	50%	0.495	58%	0.578	S	S	.	*	H	α-helix	trans	-66.3	-28.6	171.5	-81.1	175.5	179.3	0	0	113	K57 S64 K65	K57-E61 WeakPolarHBondContact O-CB 3.46Å; K57-E61 WeakPolarHBondContact O-CG 3.39Å; K57-E61 PolarHBondContact O-N 2.87Å; E61-S64 PolarHBondContact O-OG 2.72Å; E61-K65 WeakPolarHBondContact O-CB 3.49Å; E61-K65 VanDerWaalsContact O-CG 3.31Å; E61-K65 WeakPolarHBondContact O-CG 3.38Å; E61-K65 PolarHBondContact O-N 3.3Å
62	K	70.3	Confident	63	Low	164 Å²	164	113.2 Å²	113.2	71%	0.713	57%	0.569	S	S	*	*	H	α-helix	trans	-75	-39.4	173.6	-103.4	-172.9	172.3	-170.8	0	111.7	K58 A59 A60 A66	K58-K62 WeakPolarHBondContact O-CB 3.25Å; K58-K62 PolarHBondContact O-N 3.06Å; A59-K62 WeakPolarHBondContact O-CA 3.14Å; A59-K62 WeakPolarHBondContact O-CB 3.16Å; A59-K62 PolarHBondContact O-N 2.92Å; A59-K62 VanDerWaalsContact O-N 3.09Å; A60-K62 VanDerWaalsContact C-N 3.29Å; A60-K62 PolarHBondContact O-N 3Å; K62-A66 VanDerWaalsContact O-CB 3.27Å; K62-A66 WeakPolarHBondContact O-CB 3.41Å; K62-A66 PolarHBondContact O-N 2.91Å
63	E	66.3	Low	61.8	Low	138 Å²	138	107.3 Å²	107.3	65%	0.645	56%	0.558	S	S	*	*	H	α-helix	trans	-69.8	-37.3	175	-87.3	-176.3	151.4	0	0	112.4	A59 A60 A66 K67	A59-E63 PolarHBondContact O-N 3.1Å; A60-E63 PolarHBondContact O-N 3.05Å; E63-A66 PolarHBondContact O-N 3.33Å; E63-K67 WeakPolarHBondContact O-CG 3.45Å; E63-K67 PolarHBondContact O-N 3.26Å
64	S	62.8	Low	60.5	Low	57 Å²	57	107.9 Å²	107.9	40%	0.399	56%	0.564	S	S	.	*	H	α-helix	trans	-65.7	-44.3	174.2	77.6	0	0	0	0	110.9	A60 E61 A66 K67 D68	A60-S64 WeakPolarHBondContact O-CB 3.38Å; A60-S64 PolarHBondContact O-N 3.44Å; E61-S64 PolarHBondContact O-OG 2.72Å; S64-A66 VanDerWaalsContact C-N 3.31Å; S64-A66 PolarHBondContact O-N 2.98Å; S64-K67 PolarHBondContact O-N 2.76Å; S64-D68 VanDerWaalsContact O-CG 3.28Å; S64-D68 PolarHBondContact O-N 2.79Å
65	K	67.8	Low	58.9	Low	140 Å²	140	103.7 Å²	103.7	61%	0.609	56%	0.555	S	S	*	*	H	α-helix	trans	-64.1	-33.5	173.6	-77.2	-179	176.5	-176.2	0	113.1	E61 L69	E61-K65 WeakPolarHBondContact O-CB 3.49Å; E61-K65 VanDerWaalsContact O-CG 3.31Å; E61-K65 WeakPolarHBondContact O-CG 3.38Å; E61-K65 PolarHBondContact O-N 3.3Å; K65-L69 WeakPolarHBondContact O-CB 3.42Å; K65-L69 WeakPolarHBondContact O-CD1 3.46Å; K65-L69 WeakPolarHBondContact O-CG 3.08Å; K65-L69 PolarHBondContact O-N 2.93Å
66	A	64.1	Low	57.3	Low	59 Å²	59	105.6 Å²	105.6	49%	0.488	56%	0.557	S	S	.	*	H	α-helix	trans	-71.3	-32.8	175.6	0	0	0	0	0	112.2	K62 E63 S64 G70	K62-A66 VanDerWaalsContact O-CB 3.27Å; K62-A66 WeakPolarHBondContact O-CB 3.41Å; K62-A66 PolarHBondContact O-N 2.91Å; E63-A66 PolarHBondContact O-N 3.33Å; S64-A66 VanDerWaalsContact C-N 3.31Å; S64-A66 PolarHBondContact O-N 2.98Å; A66-G70 PolarHBondContact O-N 2.9Å
67	K	58.1	Low	55.5	Low	150 Å²	150	105.5 Å²	105.5	65%	0.652	56%	0.56	S	S	*	*	H	α-helix	trans	-72.3	-41	172.1	-75.3	-178.2	178	-178.2	0	112.2	E63 S64 L69 G70 E71	E63-K67 WeakPolarHBondContact O-CG 3.45Å; E63-K67 PolarHBondContact O-N 3.26Å; S64-K67 PolarHBondContact O-N 2.76Å; K67-L69 VanDerWaalsContact C-N 3.28Å; K67-L69 PolarHBondContact O-N 2.83Å; K67-G70 WeakPolarHBondContact O-CA 3.45Å; K67-G70 PolarHBondContact O-N 3.47Å; K67-E71 PolarHBondContact O-N 2.95Å
68	D	55.3	Low	53.7	Low	95 Å²	95	103 Å²	103	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-63.4	-35	173.9	-65.6	-19.6	0	0	0	111.7	S64 Q72	S64-D68 VanDerWaalsContact O-CG 3.28Å; S64-D68 PolarHBondContact O-N 2.79Å; D68-Q72 PolarHBondContact O-N 2.88Å; D68-Q72 VanDerWaalsContact O-N 3.15Å
69	L	51.3	Low	51.9	Low	115 Å²	115	99.2 Å²	99.2	60%	0.602	56%	0.56	S	S	*	*	H	α-helix	trans	-72.4	-28.5	172.6	-75.8	164.6	0	0	0	113	K65 K67 A73	K65-L69 WeakPolarHBondContact O-CB 3.42Å; K65-L69 WeakPolarHBondContact O-CD1 3.46Å; K65-L69 WeakPolarHBondContact O-CG 3.08Å; K65-L69 PolarHBondContact O-N 2.93Å; K67-L69 VanDerWaalsContact C-N 3.28Å; K67-L69 PolarHBondContact O-N 2.83Å; L69-A73 WeakPolarHBondContact O-CB 3.16Å; L69-A73 PolarHBondContact O-N 3.19Å
70	G	44.3	Very low	50.2	Low	34 Å²	34	100.2 Å²	100.2	35%	0.351	57%	0.568	S	S	.	*	H	α-helix	trans	-73.1	-40.7	173.8	0	0	0	0	0	112.7	A66 K67 A73 D74	A66-G70 PolarHBondContact O-N 2.9Å; K67-G70 WeakPolarHBondContact O-CA 3.45Å; K67-G70 PolarHBondContact O-N 3.47Å; G70-A73 WeakPolarHBondContact O-CB 3.17Å; G70-A73 PolarHBondContact O-N 3.26Å; G70-A73 VanDerWaalsContact O-N 3.11Å; G70-D74 PolarHBondContact O-N 3.11Å
71	E	46	Very low	48.3	Very low	141 Å²	141	106.7 Å²	106.7	66%	0.659	59%	0.589	S	S	*	*	H	α-helix	trans	-74	-26.7	177.6	-69.4	179.7	177.7	0	0	112.5	K67 S75	K67-E71 PolarHBondContact O-N 2.95Å; E71-S75 PolarHBondContact O-OG 3.29Å
72	Q	43.3	Very low	46.4	Very low	124 Å²	124	108.9 Å²	108.9	58%	0.579	60%	0.604	S	S	*	*	H	α-helix	trans	-74.3	-20.9	166.1	-80	-174.6	-11.3	0	0	113.7	D68 S75 N76	D68-Q72 PolarHBondContact O-N 2.88Å; D68-Q72 VanDerWaalsContact O-N 3.15Å; Q72-S75 PolarHBondContact O-OG 2.97Å; Q72-N76 WeakPolarHBondContact O-CB 3.49Å; Q72-N76 PolarHBondContact O-N 2.89Å; Q72-N76 PolarHBondContact O-ND2 2.93Å; Q72-N76 VanDerWaalsContact O-ND2 3.08Å
73	A	42.8	Very low	44.5	Very low	52 Å²	52	105.5 Å²	105.5	43%	0.43	61%	0.607	S	S	.	*	H	α-helix	trans	-78.2	-36	175.3	0	0	0	0	0	112	L69 G70 N76 N77	L69-A73 WeakPolarHBondContact O-CB 3.16Å; L69-A73 PolarHBondContact O-N 3.19Å; G70-A73 WeakPolarHBondContact O-CB 3.17Å; G70-A73 PolarHBondContact O-N 3.26Å; G70-A73 VanDerWaalsContact O-N 3.11Å; A73-N76 PolarHBondContact O-N 2.84Å; A73-N77 PolarHBondContact O-N 2.84Å
74	D	39.1	Very low	43.1	Very low	127 Å²	127	103.8 Å²	103.8	68%	0.679	61%	0.61	S	S	*	*	H	α-helix	trans	-74.7	-27.7	178.5	-80.6	-23.3	0	0	0	113.4	G70	G70-D74 PolarHBondContact O-N 3.11Å
75	S	35.6	Very low	42	Very low	77 Å²	77	105.5 Å²	105.5	54%	0.538	63%	0.627	S	S	.	*	H	α-helix	trans	-79.5	-20	172.2	52.2	0	0	0	0	113.9	E71 Q72	E71-S75 PolarHBondContact O-OG 3.29Å; Q72-S75 PolarHBondContact O-OG 2.97Å
76	N	36.2	Very low	40.9	Very low	102 Å²	102	104.7 Å²	104.7	55%	0.545	63%	0.629	S	S	.	*	H	α-helix	trans	-84.8	-13	175.9	-85.3	-30.7	0	0	0	114.3	Q72 A73 A78 S79	Q72-N76 WeakPolarHBondContact O-CB 3.49Å; Q72-N76 PolarHBondContact O-N 2.89Å; Q72-N76 PolarHBondContact O-ND2 2.93Å; Q72-N76 VanDerWaalsContact O-ND2 3.08Å; A73-N76 PolarHBondContact O-N 2.84Å; N76-A78 VanDerWaalsContact C-N 3.3Å; N76-A78 PolarHBondContact O-N 3.42Å; N76-S79 PolarHBondContact O-N 2.87Å; N76-S79 PolarHBondContact O-OG 3.45Å; N76-S79 VanDerWaalsContact O-OG 3.08Å
77	N	34.7	Very low	40.8	Very low	129 Å²	129	106.2 Å²	106.2	69%	0.69	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-15.3	174.9	-101.2	-22.5	0	0	0	113.5	A73	A73-N77 PolarHBondContact O-N 2.84Å
78	A	30.4	Very low	41	Very low	96 Å²	96	101.3 Å²	101.3	79%	0.793	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-9.3	172.7	0	0	0	0	0	113.6	N76	N76-A78 VanDerWaalsContact C-N 3.3Å; N76-A78 PolarHBondContact O-N 3.42Å
79	S	31.8	Very low	41.3	Very low	69 Å²	69	103 Å²	103	48%	0.483	62%	0.615	S	S	.	*	S	Bend	trans	-106.3	3.3	179.5	55.9	0	0	0	0	113.9	N76 Q81 N82	N76-S79 PolarHBondContact O-N 2.87Å; N76-S79 PolarHBondContact O-OG 3.45Å; N76-S79 VanDerWaalsContact O-OG 3.08Å; S79-Q81 PolarHBondContact O-N 3.43Å; S79-N82 PolarHBondContact O-N 2.96Å
80	A	31.5	Very low	42.4	Very low	74 Å²	74	102.5 Å²	102.5	61%	0.612	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	7	-179	0	0	0	0	0	115.6
81	Q	32.5	Very low	44.3	Very low	191 Å²	191	101.8 Å²	101.8	89%	0.893	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	4.1	174.6	-78.2	-172.6	-15.5	0	0	114.8	S79	S79-Q81 PolarHBondContact O-N 3.43Å
82	N	30.6	Very low	46.4	Very low	152 Å²	152	99 Å²	99	81%	0.813	60%	0.595	S	S	*	*			trans	-135.5	44.7	-179.1	-84.4	-31.8	0	0	0	114.4	S79	S79-N82 PolarHBondContact O-N 2.96Å
83	A	30.6	Very low	48.7	Very low	94 Å²	94	96.3 Å²	96.3	78%	0.777	59%	0.587	S	S	*	*			trans	-94.5	20.7	179	0	0	0	0	0	114.9	A85	A83-A85 PolarHBondContact O-N 3.5Å
84	S	36.3	Very low	51.1	Low	102 Å²	102	99.1 Å²	99.1	71%	0.713	60%	0.595	S	S	*	*			trans	-93.1	30.2	-170.8	75.6	0	0	0	0	115.9
85	A	39.2	Very low	53.7	Low	92 Å²	92	97.7 Å²	97.7	76%	0.76	59%	0.585	S	S	*	*			trans	-160.5	64.6	174.4	0	0	0	0	0	112.1	A83	A83-A85 PolarHBondContact O-N 3.5Å
86	L	45.5	Very low	56.5	Low	124 Å²	124	94.7 Å²	94.7	65%	0.649	56%	0.562	S	S	*	*			trans	-76.2	124.9	147.5	-75.3	166.9	0	0	0	105.6	D88	L86-D88 PolarHBondContact O-N 3.03Å
87	D	61.4	Low	59.4	Low	90 Å²	90	93.3 Å²	93.3	48%	0.481	55%	0.551	S	S	.	*			trans	-64.9	104.5	175.1	-174.1	8.6	0	0	0	107.6	E89 T90	D87-E89 PolarHBondContact O-N 2.91Å; D87-E89 WeakPolarHBondContact OD1-CB 3.4Å; D87-E89 PolarHBondContact OD1-N 3.43Å; D87-T90 HydrophobicContact CB-CG2 4.05Å; D87-T90 PolarHBondContact O-N 2.89Å; D87-T90 PolarHBondContact O-OG1 3.31Å
88	D	63.3	Low	62.3	Low	48 Å²	48	94.3 Å²	94.3	26%	0.257	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-54.2	-22.1	-178.2	-72.3	-37	0	0	0	111.4	L86 T90 Y96 R197	L86-D88 PolarHBondContact O-N 3.03Å; D88-T90 VanDerWaalsContact C-N 3.27Å; D88-T90 PolarHBondContact O-N 3.01Å; D88-Y96 HydrophobicContact CB-CD2 4.28Å; D88-Y96 HydrophobicContact CB-CE2 4Å; D88-R197 WeakPolarHBondContact OD2-CD 3.49Å; D88-R197 IonicContact OD2-CZ 3.71Å; D88-R197 IonicContact OD2-NE 3.09Å; D88-R197 PolarHBondContact OD2-NE 3.35Å
89	E	61.5	Low	65.4	Low	129 Å²	129	93.5 Å²	93.5	60%	0.603	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-72.5	-15	177	-58.6	-169.7	166.5	0	0	113.9	D87 H235	D87-E89 PolarHBondContact O-N 2.91Å; D87-E89 WeakPolarHBondContact OD1-CB 3.4Å; D87-E89 PolarHBondContact OD1-N 3.43Å; E89-H235 IonicContact OE2-NE2 3.29Å
90	T	74.3	Confident	68.5	Low	105 Å²	105	90.9 Å²	90.9	64%	0.644	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-99.2	-6.9	179.2	64	0	0	0	0	113.8	D87 D88	D87-T90 HydrophobicContact CB-CG2 4.05Å; D87-T90 PolarHBondContact O-N 2.89Å; D87-T90 PolarHBondContact O-OG1 3.31Å; D88-T90 VanDerWaalsContact C-N 3.27Å; D88-T90 PolarHBondContact O-N 3.01Å
91	L	83.3	Confident	71.7	Confident	20 Å²	20	89.6 Å²	89.6	11%	0.105	50%	0.495	C	S	.	.	S	Bend	trans	-80.3	145.7	-178.6	-66.1	175.8	0	0	0	111.9	Y96 I99 M232	L91-Y96 HydrophobicContact CD1-CD2 4.44Å; L91-I99 HydrophobicContact CD1-CD1 4.2Å; L91-M232 WeakPolarHBondContact O-CE 3.34Å
92	D	90.6	Very high	74.7	Confident	83 Å²	83	86.3 Å²	86.3	44%	0.444	48%	0.479	S	S	.	.			trans	-62	139	167.4	172	79.6	0	0	0	110.5	N94 Q95 Y96	D92-N94 VanDerWaalsContact C-N 3.25Å; D92-N94 PolarHBondContact O-N 3.15Å; D92-N94 VanDerWaalsContact O-N 3.14Å; D92-N94 WeakPolarHBondContact OD2-CA 3.43Å; D92-N94 VanDerWaalsContact OD2-CB 3.24Å; D92-N94 WeakPolarHBondContact OD2-CB 3.41Å; D92-N94 PolarHBondContact OD2-N 2.83Å; D92-Q95 HydrophobicContact CB-CB 4.13Å; D92-Q95 WeakPolarHBondContact O-CA 3.13Å; D92-Q95 WeakPolarHBondContact O-CB 3.2Å; D92-Q95 PolarHBondContact O-N 3.05Å; D92-Q95 PolarHBondContact OD2-N 2.93Å; D92-Y96 PolarHBondContact O-N 2.84Å
93	P	91.9	Very high	77.8	Confident	66 Å²	66	80.9 Å²	80.9	43%	0.429	46%	0.456	S	S	.	.	H	α-helix	trans	-53	-35.9	-179	-26.2	30.2	0	0	0	115.1	F97 M232	P93-F97 WeakPolarHBondContact O-CB 3.48Å; P93-F97 PolarHBondContact O-N 3.36Å; P93-M232 HydrophobicContact CB-CE 4.17Å; P93-M232 HydrophobicContact CG-CE 3.6Å
94	N	93.1	Very high	81	Confident	111 Å²	111	76.6 Å²	76.6	59%	0.594	42%	0.42	S	S	*	.	H	α-helix	trans	-75.4	-35.3	178.7	-60.8	-59.4	0	0	0	111.4	D92 F97 K98	D92-N94 VanDerWaalsContact C-N 3.25Å; D92-N94 PolarHBondContact O-N 3.15Å; D92-N94 VanDerWaalsContact O-N 3.14Å; D92-N94 WeakPolarHBondContact OD2-CA 3.43Å; D92-N94 VanDerWaalsContact OD2-CB 3.24Å; D92-N94 WeakPolarHBondContact OD2-CB 3.41Å; D92-N94 PolarHBondContact OD2-N 2.83Å; N94-F97 PolarHBondContact O-N 3.06Å; N94-K98 WeakPolarHBondContact O-CG 3.08Å; N94-K98 PolarHBondContact O-N 2.81Å
95	Q	94.1	Very high	83.8	Confident	98 Å²	98	77 Å²	77	46%	0.458	41%	0.41	S	S	.	.	H	α-helix	trans	-66.1	-45.2	173.9	-174	174.4	-2.1	0	0	111	D92 F97 K98 I99	D92-Q95 HydrophobicContact CB-CB 4.13Å; D92-Q95 WeakPolarHBondContact O-CA 3.13Å; D92-Q95 WeakPolarHBondContact O-CB 3.2Å; D92-Q95 PolarHBondContact O-N 3.05Å; D92-Q95 PolarHBondContact OD2-N 2.93Å; Q95-F97 VanDerWaalsContact C-N 3.32Å; Q95-F97 PolarHBondContact O-N 2.97Å; Q95-K98 PolarHBondContact O-N 2.77Å; Q95-I99 HydrophobicContact CG-CD1 3.84Å; Q95-I99 WeakPolarHBondContact O-CG1 3.38Å; Q95-I99 PolarHBondContact O-N 2.83Å
96	Y	94.2	Very high	86.4	Confident	13 Å²	13	78.7 Å²	78.7	5%	0.051	40%	0.402	C	S	.	.	H	α-helix	trans	-55.3	-48.4	172.8	-178.9	-87.3	0	0	0	110.9	D88 L91 D92 K98 I99 R100 R197 M232	D88-Y96 HydrophobicContact CB-CD2 4.28Å; D88-Y96 HydrophobicContact CB-CE2 4Å; L91-Y96 HydrophobicContact CD1-CD2 4.44Å; D92-Y96 PolarHBondContact O-N 2.84Å; Y96-K98 VanDerWaalsContact C-N 3.35Å; Y96-K98 PolarHBondContact O-N 2.85Å; Y96-I99 PolarHBondContact O-N 3.03Å; Y96-R100 HydrophobicContact CD1-CB 4.32Å; Y96-R100 HydrophobicContact CE1-CB 4.08Å; Y96-R100 HydrophobicContact CE1-CG 4.13Å; Y96-R100 WeakPolarHBondContact O-CB 3.31Å; Y96-R100 PolarHBondContact O-N 2.8Å; Y96-R197 WeakPolarHBondContact OH-CB 3.36Å; Y96-M232 HydrophobicContact CD1-CB 3.89Å; Y96-M232 HydrophobicContact CE1-CB 4.37Å; Y96-M232 HydrophobicContact CG-CB 4.02Å
97	F	96.4	Very high	88.7	Confident	73 Å²	73	74.4 Å²	74.4	32%	0.32	38%	0.38	S	S	.	.	H	α-helix	trans	-57.3	-44.4	178.4	175.8	-102.6	0	0	0	113	P93 N94 Q95 T101 L230 H231	P93-F97 WeakPolarHBondContact O-CB 3.48Å; P93-F97 PolarHBondContact O-N 3.36Å; N94-F97 PolarHBondContact O-N 3.06Å; Q95-F97 VanDerWaalsContact C-N 3.32Å; Q95-F97 PolarHBondContact O-N 2.97Å; F97-T101 WeakPolarHBondContact O-CB 3.44Å; F97-T101 PolarHBondContact O-N 3.5Å; F97-T101 PolarHBondContact O-OG1 3.33Å; F97-L230 WeakPolarHBondContact CA-O 3.45Å; F97-L230 HydrophobicContact CD2-CB 3.88Å; F97-L230 HydrophobicContact CE2-CB 3.85Å; F97-L230 HydrophobicContact CE2-CD1 4.29Å; F97-H231 AromaticContact CD2-CE1 3.36Å; F97-H231 WeakPolarHBondContact CD2-CE1 3.46Å; F97-H231 AromaticContact CD2-ND1 3.67Å; F97-H231 AromaticContact CD2-NE2 3.67Å; F97-H231 AromaticContact CE2-CE1 3.62Å; F97-H231 AromaticContact CE2-NE2 3.57Å
98	K	96.4	Very high	90.2	Very high	151 Å²	151	74.9 Å²	74.9	66%	0.657	38%	0.378	S	S	*	.	H	α-helix	trans	-63.5	-50.6	178	-73	175.2	-176.6	178.4	0	112	N94 Q95 Y96 R100 T101 Q102	N94-K98 WeakPolarHBondContact O-CG 3.08Å; N94-K98 PolarHBondContact O-N 2.81Å; Q95-K98 PolarHBondContact O-N 2.77Å; Y96-K98 VanDerWaalsContact C-N 3.35Å; Y96-K98 PolarHBondContact O-N 2.85Å; K98-R100 PolarHBondContact O-N 3.31Å; K98-T101 PolarHBondContact O-N 3.11Å; K98-Q102 PolarHBondContact O-N 3.03Å
99	I	95.9	Very high	91.1	Very high	79 Å²	79	76.8 Å²	76.8	41%	0.405	41%	0.409	S	S	.	.	H	α-helix	trans	-61.2	-46.8	-179.7	-66.6	168.6	0	0	0	110.2	L91 Q95 Y96 Q102 A103	L91-I99 HydrophobicContact CD1-CD1 4.2Å; Q95-I99 HydrophobicContact CG-CD1 3.84Å; Q95-I99 WeakPolarHBondContact O-CG1 3.38Å; Q95-I99 PolarHBondContact O-N 2.83Å; Y96-I99 PolarHBondContact O-N 3.03Å; I99-Q102 PolarHBondContact O-N 2.89Å; I99-A103 PolarHBondContact O-N 2.66Å
100	R	96.9	Very high	92.4	Very high	13 Å²	13	73.9 Å²	73.9	5%	0.049	40%	0.4	C	S	.	.	H	α-helix	trans	-65.2	-41.9	-179.4	-170.9	60.5	172	172	2.1	111.6	Y96 K98 A103 I104 K195 D200 C229 L230	Y96-R100 HydrophobicContact CD1-CB 4.32Å; Y96-R100 HydrophobicContact CE1-CB 4.08Å; Y96-R100 HydrophobicContact CE1-CG 4.13Å; Y96-R100 WeakPolarHBondContact O-CB 3.31Å; Y96-R100 PolarHBondContact O-N 2.8Å; K98-R100 PolarHBondContact O-N 3.31Å; R100-A103 PolarHBondContact O-N 2.99Å; R100-I104 WeakPolarHBondContact O-CG1 3.49Å; R100-I104 PolarHBondContact O-N 2.77Å; R100-K195 PolarHBondContact NH1-O 3.34Å; R100-D200 IonicContact CZ-OD1 3.3Å; R100-D200 IonicContact CZ-OD2 2.78Å; R100-D200 IonicContact NH2-OD1 2.87Å; R100-D200 PolarHBondContact NH2-OD1 3.27Å; R100-D200 IonicContact NH2-OD2 2.88Å; R100-D200 PolarHBondContact NH2-OD2 3.12Å; R100-C229 WeakPolarHBondContact CG-O 3.31Å; R100-C229 PolarHBondContact NE-O 2.86Å; R100-L230 HydrophobicContact CG-CD2 4.08Å
101	T	97.4	Very high	92.7	Very high	48 Å²	48	74.2 Å²	74.2	29%	0.294	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-44.8	176.3	-63	0	0	0	0	111.3	F97 K98 I104 Q105	F97-T101 WeakPolarHBondContact O-CB 3.44Å; F97-T101 PolarHBondContact O-N 3.5Å; F97-T101 PolarHBondContact O-OG1 3.33Å; K98-T101 PolarHBondContact O-N 3.11Å; T101-I104 PolarHBondContact O-N 2.99Å; T101-Q105 WeakPolarHBondContact O-CB 3.37Å; T101-Q105 PolarHBondContact O-N 3.44Å
102	Q	96.6	Very high	92.6	Very high	121 Å²	121	77.8 Å²	77.8	57%	0.565	43%	0.43	S	S	*	.	H	α-helix	trans	-61.1	-48.5	176.6	-178.5	175.5	-8.1	0	0	111.4	K98 I99 I104 Q105 E106	K98-Q102 PolarHBondContact O-N 3.03Å; I99-Q102 PolarHBondContact O-N 2.89Å; Q102-I104 VanDerWaalsContact C-N 3.3Å; Q102-I104 PolarHBondContact O-N 3.46Å; Q102-Q105 WeakPolarHBondContact O-CB 3.39Å; Q102-Q105 PolarHBondContact O-N 2.9Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.34Å; Q102-E106 PolarHBondContact NE2-OE1 2.86Å; Q102-E106 VanDerWaalsContact NE2-OE1 3.1Å; Q102-E106 WeakPolarHBondContact O-CG 3.25Å; Q102-E106 PolarHBondContact O-N 2.85Å
103	A	95.3	Very high	92.5	Very high	38 Å²	38	77.1 Å²	77.1	31%	0.314	43%	0.426	S	S	.	.	H	α-helix	trans	-58.6	-39.8	178.1	0	0	0	0	0	112.7	I99 R100 L107	I99-A103 PolarHBondContact O-N 2.66Å; R100-A103 PolarHBondContact O-N 2.99Å; A103-L107 WeakPolarHBondContact O-CG 3.34Å; A103-L107 PolarHBondContact O-N 2.7Å
104	I	96.8	Very high	92.6	Very high	5 Å²	5	74 Å²	74	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-72	-33.7	176.1	-64.2	-50.1	0	0	0	111.8	R100 T101 Q102 E106 L107 K108 P114 Y115 L225 P228 L230	R100-I104 WeakPolarHBondContact O-CG1 3.49Å; R100-I104 PolarHBondContact O-N 2.77Å; T101-I104 PolarHBondContact O-N 2.99Å; Q102-I104 VanDerWaalsContact C-N 3.3Å; Q102-I104 PolarHBondContact O-N 3.46Å; I104-E106 VanDerWaalsContact C-N 3.32Å; I104-L107 HydrophobicContact CD1-CD1 3.94Å; I104-L107 PolarHBondContact O-N 2.97Å; I104-K108 PolarHBondContact O-N 2.9Å; I104-P114 HydrophobicContact CG2-CB 4.1Å; I104-P114 HydrophobicContact CG2-CG 4.02Å; I104-Y115 HydrophobicContact CG2-CE2 3.8Å; I104-L225 HydrophobicContact CD1-CD2 4.35Å; I104-P228 HydrophobicContact CB-CG 4.42Å; I104-P228 HydrophobicContact CD1-CB 3.49Å; I104-P228 VanDerWaalsContact CD1-CB 3.49Å; I104-P228 HydrophobicContact CD1-CG 3.67Å; I104-P228 HydrophobicContact CG1-CB 3.74Å; I104-P228 HydrophobicContact CG1-CG 3.71Å; I104-P228 HydrophobicContact CG2-CG 3.79Å; I104-L230 HydrophobicContact CB-CD2 4.19Å; I104-L230 HydrophobicContact CG1-CD2 3.7Å
105	Q	95.8	Very high	92.8	Very high	110 Å²	110	73 Å²	73	51%	0.514	40%	0.395	S	S	.	.	H	α-helix	trans	-65.6	-37	176	-172.9	62.5	24.4	0	0	111.7	T101 Q102 L107 K108	T101-Q105 WeakPolarHBondContact O-CB 3.37Å; T101-Q105 PolarHBondContact O-N 3.44Å; Q102-Q105 WeakPolarHBondContact O-CB 3.39Å; Q102-Q105 PolarHBondContact O-N 2.9Å; Q105-L107 VanDerWaalsContact C-N 3.26Å; Q105-L107 PolarHBondContact O-N 3.39Å; Q105-K108 PolarHBondContact O-N 3.44Å
106	E	94.4	Very high	92.9	Very high	127 Å²	127	70.3 Å²	70.3	59%	0.593	39%	0.385	S	S	*	.	H	α-helix	trans	-66.4	-25.6	175.3	-70.6	167.6	-172.2	0	0	112.9	Q102 I104	Q102-E106 WeakPolarHBondContact CG-OE1 3.34Å; Q102-E106 PolarHBondContact NE2-OE1 2.86Å; Q102-E106 VanDerWaalsContact NE2-OE1 3.1Å; Q102-E106 WeakPolarHBondContact O-CG 3.25Å; Q102-E106 PolarHBondContact O-N 2.85Å; I104-E106 VanDerWaalsContact C-N 3.32Å
107	L	92.9	Very high	93	Very high	34 Å²	34	78.6 Å²	78.6	18%	0.178	42%	0.424	C	S	.	.	H	α-helix	trans	-77.3	-25.2	174.5	-68.2	174.5	0	0	0	113.1	A103 I104 Q105 G109 T110 P114 K195	A103-L107 WeakPolarHBondContact O-CG 3.34Å; A103-L107 PolarHBondContact O-N 2.7Å; I104-L107 HydrophobicContact CD1-CD1 3.94Å; I104-L107 PolarHBondContact O-N 2.97Å; Q105-L107 VanDerWaalsContact C-N 3.26Å; Q105-L107 PolarHBondContact O-N 3.39Å; L107-G109 PolarHBondContact O-N 3.24Å; L107-T110 WeakPolarHBondContact O-CB 3.3Å; L107-T110 WeakPolarHBondContact O-CG2 3.31Å; L107-T110 PolarHBondContact O-N 2.8Å; L107-T110 PolarHBondContact O-OG1 3.44Å; L107-P114 HydrophobicContact CB-CB 4.25Å; L107-P114 HydrophobicContact CB-CG 3.94Å; L107-P114 HydrophobicContact CD1-CB 4.32Å; L107-K195 HydrophobicContact CD1-CD 3.8Å; L107-K195 HydrophobicContact CD1-CG 4.18Å; L107-K195 HydrophobicContact CD2-CD 4.42Å
108	K	92.4	Very high	93	Very high	100 Å²	100	82 Å²	82	44%	0.435	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	136.7	-178.4	-67.9	-178.9	-171.6	166.5	0	110.9	I104 Q105 T110 P114	I104-K108 PolarHBondContact O-N 2.9Å; Q105-K108 PolarHBondContact O-N 3.44Å; K108-T110 PolarHBondContact O-N 3.04Å; K108-P114 HydrophobicContact CG-CG 3.95Å
109	G	83.8	Confident	93.1	Very high	88 Å²	88	76.9 Å²	76.9	91%	0.907	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-1.2	-178.4	0	0	0	0	0	114.3	L107	L107-G109 PolarHBondContact O-N 3.24Å
110	T	88.2	Confident	93.2	Very high	68 Å²	68	79.8 Å²	79.8	42%	0.417	43%	0.427	S	S	.	.	S	Bend	trans	-82	173.4	165.1	76.3	0	0	0	0	110.3	L107 K108 E112	L107-T110 WeakPolarHBondContact O-CB 3.3Å; L107-T110 WeakPolarHBondContact O-CG2 3.31Å; L107-T110 PolarHBondContact O-N 2.8Å; L107-T110 PolarHBondContact O-OG1 3.44Å; K108-T110 PolarHBondContact O-N 3.04Å; T110-E112 PolarHBondContact O-N 2.87Å; T110-E112 PolarHBondContact OG1-N 2.73Å; T110-E112 PolarHBondContact OG1-O 3.32Å
111	A	81.1	Confident	93.3	Very high	113 Å²	113	82.4 Å²	82.4	93%	0.934	45%	0.445	S	S	*	.	S	Bend	trans	-64.4	-15.1	170.1	0	0	0	0	0	112.9
112	E	79.4	Confident	93.3	Very high	94 Å²	94	84.6 Å²	84.6	44%	0.439	46%	0.455	S	S	.	.	S	Bend	trans	-100.1	73.5	176.7	-57.7	-164.2	143.5	0	0	110.3	T110 P114 K195	T110-E112 PolarHBondContact O-N 2.87Å; T110-E112 PolarHBondContact OG1-N 2.73Å; T110-E112 PolarHBondContact OG1-O 3.32Å; E112-P114 VanDerWaalsContact O-CD 3.27Å; E112-P114 WeakPolarHBondContact O-CD 3.3Å; E112-K195 IonicContact OE1-NZ 3.54Å; E112-K195 PolarHBondContact OE1-NZ 2.89Å; E112-K195 IonicContact OE2-NZ 3.28Å; E112-K195 PolarHBondContact OE2-NZ 3.28Å
113	D	88.7	Confident	93.3	Very high	69 Å²	69	80.4 Å²	80.4	37%	0.369	44%	0.436	S	S	.	.			trans	-59.6	116.5	174.9	-177.8	8.8	0	0	0	110.4	Y115 P116	D113-Y115 PolarHBondContact O-N 2.88Å; D113-Y115 PolarHBondContact OD1-N 3.47Å; D113-Y115 VanDerWaalsContact OD1-N 3.09Å; D113-P116 WeakPolarHBondContact O-CD 3.39Å
114	P	95.6	Very high	93.5	Very high	2 Å²	2	80.1 Å²	80.1	1%	0.013	43%	0.432	C	S	.	.	S	Bend	trans	-72.2	-7.7	-178.9	28.5	-33.3	0	0	0	113.4	I104 L107 K108 E112 L225 P228	I104-P114 HydrophobicContact CG2-CB 4.1Å; I104-P114 HydrophobicContact CG2-CG 4.02Å; L107-P114 HydrophobicContact CB-CB 4.25Å; L107-P114 HydrophobicContact CB-CG 3.94Å; L107-P114 HydrophobicContact CD1-CB 4.32Å; K108-P114 HydrophobicContact CG-CG 3.95Å; E112-P114 VanDerWaalsContact O-CD 3.27Å; E112-P114 WeakPolarHBondContact O-CD 3.3Å; P114-L225 HydrophobicContact CB-CD2 4.08Å; P114-P228 VanDerWaalsContact O-CD 3.31Å; P114-P228 WeakPolarHBondContact O-CD 3.37Å
115	Y	97.2	Very high	93.6	Very high	90 Å²	90	80 Å²	80	35%	0.353	43%	0.431	S	S	.	.	S	Bend	trans	-129.4	64.6	177	-61.7	-83.8	0	0	0	111.2	I104 D113 P228	I104-Y115 HydrophobicContact CG2-CE2 3.8Å; D113-Y115 PolarHBondContact O-N 2.88Å; D113-Y115 PolarHBondContact OD1-N 3.47Å; D113-Y115 VanDerWaalsContact OD1-N 3.09Å; Y115-P228 HydrophobicContact CE1-CG 4.07Å; Y115-P228 HydrophobicContact CE2-CG 4.23Å; Y115-P228 WeakPolarHBondContact OH-CG 3.49Å
116	P	96.3	Very high	93.7	Very high	40 Å²	40	77.6 Å²	77.6	26%	0.26	42%	0.424	S	S	.	.			trans	-61.2	145.7	-176.9	28.3	-36.8	0	0	0	111.9	D113 K118 L225 L226	D113-P116 WeakPolarHBondContact O-CD 3.39Å; P116-K118 PolarHBondContact O-N 2.82Å; P116-L225 WeakPolarHBondContact CD-O 3.44Å; P116-L226 WeakPolarHBondContact CD-O 3.38Å; P116-L226 HydrophobicContact CG-CD2 3.84Å
117	H	95.9	Very high	93.9	Very high	188 Å²	188	75.3 Å²	75.3	87%	0.87	42%	0.416	S	S	*	.	S	Bend	trans	-67.9	-34.3	-175.2	-70	66.3	0	0	0	113.3
118	K	96.5	Very high	94.1	Very high	143 Å²	143	73.7 Å²	73.7	62%	0.622	41%	0.407	S	S	*	.			trans	-149.2	136.8	-175.6	-179.6	64.5	178.7	-171.3	0	111.2	P116	P116-K118 PolarHBondContact O-N 2.82Å
119	Y	97.9	Very high	94.4	Very high	45 Å²	45	71 Å²	71	18%	0.176	40%	0.397	C	S	.	.			trans	-123.1	131.3	161.6	-172	-100.3	0	0	0	108.2	V121 A147 V204 R205 L226	Y119-V121 HydrophobicContact CD1-CG2 3.78Å; Y119-V121 HydrophobicContact CE1-CG2 4.2Å; Y119-A147 HydrophobicContact CE1-CB 4.02Å; Y119-V204 VanDerWaalsContact OH-C 3.22Å; Y119-V204 PolarHBondContact OH-N 3.45Å; Y119-V204 PolarHBondContact OH-O 2.84Å; Y119-R205 PolarHBondContact OH-N 3.23Å; Y119-L226 HydrophobicContact CD1-CD1 4.14Å; Y119-L226 HydrophobicContact CD2-CD2 3.81Å; Y119-L226 HydrophobicContact CG-CD1 4.01Å; Y119-L226 HydrophobicContact CG-CD2 3.85Å
120	H	98.4	Very high	95.1	Very high	139 Å²	139	74.3 Å²	74.3	64%	0.644	39%	0.389	S	S	*	.			trans	-88.6	113.1	177.2	-73.5	-90.5	0	0	0	108.7	A147	H120-A147 WeakPolarHBondContact O-CB 3.34Å
121	V	98.4	Very high	95.6	Very high	68 Å²	68	76.5 Å²	76.5	41%	0.412	39%	0.393	S	S	.	.			trans	-95.4	127.3	176.6	178.4	0	0	0	0	107.8	Y119 L123 S149	Y119-V121 HydrophobicContact CD1-CG2 3.78Å; Y119-V121 HydrophobicContact CE1-CG2 4.2Å; V121-L123 WeakPolarHBondContact CG1-O 3.36Å; V121-S149 WeakPolarHBondContact CG2-OG 3.27Å
122	D	98.3	Very high	96.4	Very high	95 Å²	95	71.7 Å²	71.7	51%	0.508	35%	0.351	S	S	.	.			trans	-86.8	-39.6	180	-63.8	-39.8	0	0	0	111.7	L146 A147	D122-L146 HydrophobicContact CB-CD2 3.93Å; D122-L146 WeakPolarHBondContact OD2-CA 3.42Å; D122-A147 PolarHBondContact N-O 2.88Å; D122-A147 WeakPolarHBondContact OD2-CB 3.45Å; D122-A147 PolarHBondContact OD2-N 3.12Å
123	L	97.1	Very high	97.2	Very high	33 Å²	33	71.8 Å²	71.8	17%	0.173	35%	0.354	C	S	.	.	S	Bend	trans	-136.7	146.2	-178.5	-106.2	91.2	0	0	0	111.4	V121 D127 F128 K131 L146	V121-L123 WeakPolarHBondContact CG1-O 3.36Å; L123-D127 HydrophobicContact CD2-CB 3.75Å; L123-D127 HydrophobicContact CG-CB 4.22Å; L123-F128 HydrophobicContact CD2-CB 4.28Å; L123-K131 HydrophobicContact CD2-CD 4.4Å; L123-L146 HydrophobicContact CD1-CD1 4.33Å; L123-L146 HydrophobicContact CD1-CD2 4Å
124	S	98.2	Very high	97.6	Very high	32 Å²	32	74.7 Å²	74.7	22%	0.224	37%	0.365	C	S	.	.			trans	-65.7	159.3	164.2	76.4	0	0	0	0	110.6	T126 D127 F128 E170	S124-T126 VanDerWaalsContact C-N 3.26Å; S124-T126 PolarHBondContact O-N 3.28Å; S124-D127 WeakPolarHBondContact OG-CB 3.45Å; S124-D127 PolarHBondContact OG-N 3.46Å; S124-D127 PolarHBondContact OG-OD2 3.14Å; S124-F128 WeakPolarHBondContact O-CB 3.49Å; S124-F128 PolarHBondContact O-N 3.44Å; S124-E170 WeakPolarHBondContact CB-OE2 3.41Å
125	L	98.4	Very high	97.7	Very high	1 Å²	1	75 Å²	75	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-66.4	-35.9	175.5	-66	-166.9	0	0	0	111	F128 I129 V148 L167 S169 E170 V172 L174	L125-F128 PolarHBondContact O-N 3.02Å; L125-I129 WeakPolarHBondContact O-CD1 3.37Å; L125-I129 VanDerWaalsContact O-CG1 3.25Å; L125-I129 WeakPolarHBondContact O-CG1 3.32Å; L125-I129 PolarHBondContact O-N 2.86Å; L125-V148 HydrophobicContact CD2-CB 3.76Å; L125-V148 HydrophobicContact CD2-CG1 4.25Å; L125-V148 HydrophobicContact CD2-CG2 4.05Å; L125-L167 HydrophobicContact CD1-CD2 4.49Å; L125-L167 HydrophobicContact CD1-CG 4.4Å; L125-L167 HydrophobicContact CD2-CD2 4.27Å; L125-S169 VanDerWaalsContact CD1-CB 3.47Å; L125-E170 PolarHBondContact N-OE1 2.75Å; L125-E170 PolarHBondContact N-OE2 2.95Å; L125-V172 HydrophobicContact CB-CG2 3.68Å; L125-L174 HydrophobicContact CD1-CB 4.43Å; L125-L174 HydrophobicContact CD2-CB 4.3Å; L125-L174 HydrophobicContact CD2-CD2 3.85Å
126	T	98.1	Very high	97.7	Very high	60 Å²	60	76.7 Å²	76.7	37%	0.368	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-50.1	177.5	-54.3	0	0	0	0	111.3	S124 F128 I129 Q130 E170	S124-T126 VanDerWaalsContact C-N 3.26Å; S124-T126 PolarHBondContact O-N 3.28Å; T126-F128 VanDerWaalsContact C-N 3.32Å; T126-F128 PolarHBondContact O-N 3.46Å; T126-I129 PolarHBondContact O-N 2.96Å; T126-Q130 PolarHBondContact O-N 2.9Å; T126-E170 WeakPolarHBondContact CB-OE2 3.49Å; T126-E170 PolarHBondContact N-OE2 3.32Å; T126-E170 PolarHBondContact OG1-OE2 3.16Å
127	D	98.3	Very high	97.8	Very high	80 Å²	80	78.3 Å²	78.3	43%	0.428	39%	0.389	S	S	.	.	H	α-helix	trans	-66.6	-35.9	179.2	-62.6	-37.9	0	0	0	111.5	L123 S124 I129 Q130 K131	L123-D127 HydrophobicContact CD2-CB 3.75Å; L123-D127 HydrophobicContact CG-CB 4.22Å; S124-D127 WeakPolarHBondContact OG-CB 3.45Å; S124-D127 PolarHBondContact OG-N 3.46Å; S124-D127 PolarHBondContact OG-OD2 3.14Å; D127-I129 VanDerWaalsContact C-N 3.34Å; D127-I129 PolarHBondContact O-N 3.49Å; D127-Q130 PolarHBondContact O-N 3.48Å; D127-K131 WeakPolarHBondContact O-CB 3.17Å; D127-K131 PolarHBondContact O-N 3.15Å
128	F	98.6	Very high	97.8	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-61.4	-46.9	177.3	-173.9	-76.7	0	0	0	110.3	L123 S124 L125 T126 K131 Y132 L146 V148 L174 P208 L216 I218	L123-F128 HydrophobicContact CD2-CB 4.28Å; S124-F128 WeakPolarHBondContact O-CB 3.49Å; S124-F128 PolarHBondContact O-N 3.44Å; L125-F128 PolarHBondContact O-N 3.02Å; T126-F128 VanDerWaalsContact C-N 3.32Å; T126-F128 PolarHBondContact O-N 3.46Å; F128-K131 PolarHBondContact O-N 3.29Å; F128-Y132 HydrophobicContact CD1-CD2 4.01Å; F128-Y132 AromaticContact CD2-CD2 3.93Å; F128-Y132 HydrophobicContact CD2-CD2 3.93Å; F128-Y132 HydrophobicContact CD2-CE2 4.01Å; F128-Y132 HydrophobicContact CE1-CD2 4.04Å; F128-Y132 AromaticContact CE2-CD2 3.99Å; F128-Y132 HydrophobicContact CE2-CD2 3.99Å; F128-Y132 HydrophobicContact CE2-CE2 4.11Å; F128-Y132 AromaticContact CG-CD2 3.95Å; F128-Y132 HydrophobicContact CG-CD2 3.95Å; F128-Y132 HydrophobicContact CG-CE2 4.4Å; F128-Y132 HydrophobicContact CZ-CD2 4.04Å; F128-Y132 VanDerWaalsContact O-CD2 3.25Å; F128-Y132 WeakPolarHBondContact O-CD2 3.17Å; F128-Y132 PolarHBondContact O-N 3.37Å; F128-L146 HydrophobicContact CD2-CD1 3.98Å; F128-L146 HydrophobicContact CE2-CD1 3.95Å; F128-V148 HydrophobicContact CD2-CG1 3.84Å; F128-V148 HydrophobicContact CE2-CG1 4.4Å; F128-V148 HydrophobicContact CG-CG1 4.47Å; F128-L174 HydrophobicContact CD1-CD1 3.86Å; F128-L174 HydrophobicContact CD1-CD2 3.79Å; F128-L174 HydrophobicContact CE1-CD1 3.76Å; F128-L174 HydrophobicContact CE1-CD2 3.91Å; F128-L174 HydrophobicContact CG-CD2 4.19Å; F128-L174 HydrophobicContact CZ-CD2 4.38Å; F128-P208 HydrophobicContact CE2-CB 4.34Å; F128-P208 HydrophobicContact CE2-CG 3.98Å; F128-P208 HydrophobicContact CZ-CB 3.78Å; F128-P208 HydrophobicContact CZ-CG 3.94Å; F128-L216 HydrophobicContact CD1-CD2 4.41Å; F128-L216 HydrophobicContact CE1-CD2 4.45Å; F128-L216 HydrophobicContact CE1-CG 4.45Å; F128-I218 HydrophobicContact CE2-CD1 4.28Å; F128-I218 HydrophobicContact CZ-CB 4.07Å; F128-I218 HydrophobicContact CZ-CG1 4.42Å
129	I	98.2	Very high	97.8	Very high	43 Å²	43	67.9 Å²	67.9	22%	0.221	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-52.3	177.8	-66	162.4	0	0	0	109.5	L125 T126 D127 K131 Y132 N133 V172 K173 L216	L125-I129 WeakPolarHBondContact O-CD1 3.37Å; L125-I129 VanDerWaalsContact O-CG1 3.25Å; L125-I129 WeakPolarHBondContact O-CG1 3.32Å; L125-I129 PolarHBondContact O-N 2.86Å; T126-I129 PolarHBondContact O-N 2.96Å; D127-I129 VanDerWaalsContact C-N 3.34Å; D127-I129 PolarHBondContact O-N 3.49Å; I129-K131 VanDerWaalsContact C-N 3.26Å; I129-K131 PolarHBondContact O-N 2.65Å; I129-Y132 PolarHBondContact O-N 3.35Å; I129-N133 WeakPolarHBondContact O-CB 3.5Å; I129-N133 PolarHBondContact O-N 3.45Å; I129-V172 HydrophobicContact CD1-CB 3.78Å; I129-V172 HydrophobicContact CD1-CG1 4.47Å; I129-V172 HydrophobicContact CD1-CG2 3.78Å; I129-K173 WeakPolarHBondContact CD1-O 3.41Å; I129-L216 HydrophobicContact CB-CD2 4.35Å; I129-L216 HydrophobicContact CG1-CD2 4.2Å; I129-L216 HydrophobicContact CG2-CD2 4.4Å
130	Q	98.1	Very high	97.7	Very high	158 Å²	158	69.2 Å²	69.2	74%	0.738	37%	0.365	S	S	*	.	H	α-helix	trans	-55.9	-43	-179.8	-175.1	177.7	-1.2	0	0	112	T126 D127	T126-Q130 PolarHBondContact O-N 2.9Å; D127-Q130 PolarHBondContact O-N 3.48Å
131	K	98.2	Very high	97.7	Very high	113 Å²	113	64.9 Å²	64.9	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-71.2	-41.4	-177.6	-171.1	171	180	-178.7	0	113	L123 D127 F128 I129 H134	L123-K131 HydrophobicContact CD2-CD 4.4Å; D127-K131 WeakPolarHBondContact O-CB 3.17Å; D127-K131 PolarHBondContact O-N 3.15Å; F128-K131 PolarHBondContact O-N 3.29Å; I129-K131 VanDerWaalsContact C-N 3.26Å; I129-K131 PolarHBondContact O-N 2.65Å; K131-H134 PolarHBondContact O-CE1 3.42Å; K131-H134 PolarHBondContact O-ND1 3.08Å
132	Y	98.2	Very high	97.4	Very high	12 Å²	12	66.2 Å²	66.2	5%	0.047	36%	0.359	C	S	.	.	H	α-helix	trans	-110.3	0.1	-168.9	-58.9	-65.8	0	0	0	115.2	F128 I129 H134 L135 L141 L146 P208 L216	F128-Y132 HydrophobicContact CD1-CD2 4.01Å; F128-Y132 AromaticContact CD2-CD2 3.93Å; F128-Y132 HydrophobicContact CD2-CD2 3.93Å; F128-Y132 HydrophobicContact CD2-CE2 4.01Å; F128-Y132 HydrophobicContact CE1-CD2 4.04Å; F128-Y132 AromaticContact CE2-CD2 3.99Å; F128-Y132 HydrophobicContact CE2-CD2 3.99Å; F128-Y132 HydrophobicContact CE2-CE2 4.11Å; F128-Y132 AromaticContact CG-CD2 3.95Å; F128-Y132 HydrophobicContact CG-CD2 3.95Å; F128-Y132 HydrophobicContact CG-CE2 4.4Å; F128-Y132 HydrophobicContact CZ-CD2 4.04Å; F128-Y132 VanDerWaalsContact O-CD2 3.25Å; F128-Y132 WeakPolarHBondContact O-CD2 3.17Å; F128-Y132 PolarHBondContact O-N 3.37Å; I129-Y132 PolarHBondContact O-N 3.35Å; Y132-H134 PolarHBondContact O-N 3.05Å; Y132-L135 VanDerWaalsContact O-CG 3.3Å; Y132-L135 WeakPolarHBondContact O-CG 3.45Å; Y132-L135 PolarHBondContact O-N 3.49Å; Y132-L135 VanDerWaalsContact O-N 3.17Å; Y132-L141 HydrophobicContact CD1-CD1 4.05Å; Y132-L141 HydrophobicContact CE1-CD1 4.02Å; Y132-L146 HydrophobicContact CE2-CD1 3.49Å; Y132-L146 VanDerWaalsContact CE2-CD1 3.49Å; Y132-L146 WeakPolarHBondContact OH-CD1 3.36Å; Y132-P208 HydrophobicContact CD1-CB 3.91Å; Y132-P208 HydrophobicContact CD1-CG 4.07Å; Y132-P208 HydrophobicContact CD2-CB 3.99Å; Y132-P208 HydrophobicContact CD2-CG 3.92Å; Y132-P208 HydrophobicContact CE1-CB 4.26Å; Y132-P208 HydrophobicContact CE1-CG 3.92Å; Y132-P208 HydrophobicContact CE2-CB 4.33Å; Y132-P208 HydrophobicContact CE2-CG 3.76Å; Y132-P208 HydrophobicContact CG-CB 3.78Å; Y132-P208 HydrophobicContact CG-CG 4.09Å; Y132-L216 WeakPolarHBondContact O-CD1 3.43Å
133	N	96.3	Very high	97.3	Very high	97 Å²	97	68.1 Å²	68.1	52%	0.519	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.9	179.9	-165.1	40.5	0	0	0	113.7	I129 L135 K210 L216	I129-N133 WeakPolarHBondContact O-CB 3.5Å; I129-N133 PolarHBondContact O-N 3.45Å; N133-L135 VanDerWaalsContact C-N 3.3Å; N133-L135 PolarHBondContact O-N 3.29Å; N133-K210 PolarHBondContact O-NZ 2.84Å; N133-L216 HydrophobicContact CB-CD2 4.5Å
134	H	97.3	Very high	97.3	Very high	130 Å²	130	68.3 Å²	68.3	60%	0.602	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.8	177.9	69	-89.8	0	0	0	114.8	K131 Y132	K131-H134 PolarHBondContact O-CE1 3.42Å; K131-H134 PolarHBondContact O-ND1 3.08Å; Y132-H134 PolarHBondContact O-N 3.05Å
135	L	97.9	Very high	97.3	Very high	9 Å²	9	69.3 Å²	69.3	5%	0.047	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-58	149.8	179.5	-69.3	177.8	0	0	0	112.4	Y132 N133 D139 L141 P208 K210 L216	Y132-L135 VanDerWaalsContact O-CG 3.3Å; Y132-L135 WeakPolarHBondContact O-CG 3.45Å; Y132-L135 PolarHBondContact O-N 3.49Å; Y132-L135 VanDerWaalsContact O-N 3.17Å; N133-L135 VanDerWaalsContact C-N 3.3Å; N133-L135 PolarHBondContact O-N 3.29Å; L135-D139 HydrophobicContact CB-CB 4.23Å; L135-D139 HydrophobicContact CD2-CB 4.32Å; L135-L141 HydrophobicContact CD1-CD1 4.41Å; L135-L141 HydrophobicContact CD1-CG 4.36Å; L135-L141 HydrophobicContact CD2-CD1 4.06Å; L135-L141 HydrophobicContact CD2-CD2 4.06Å; L135-L141 HydrophobicContact CD2-CG 4.06Å; L135-P208 HydrophobicContact CD1-CB 4.23Å; L135-K210 HydrophobicContact CB-CB 4.39Å; L135-K210 VanDerWaalsContact O-CD 3.29Å; L135-K210 WeakPolarHBondContact O-CD 3.28Å; L135-K210 WeakPolarHBondContact O-CE 3.13Å; L135-K210 PolarHBondContact O-NZ 2.87Å; L135-L216 HydrophobicContact CD1-CD1 4.43Å
136	Q	98.1	Very high	97.3	Very high	124 Å²	124	70.1 Å²	70.1	58%	0.579	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-84.6	152.9	176.5	-60.8	-58.1	-42.1	0	0	111.7	G138 D139	Q136-G138 PolarHBondContact O-N 2.95Å; Q136-D139 WeakPolarHBondContact CA-OD2 3.42Å; Q136-D139 WeakPolarHBondContact CB-OD2 3.42Å; Q136-D139 PolarHBondContact N-OD2 2.88Å; Q136-D139 VanDerWaalsContact O-CB 3.26Å; Q136-D139 WeakPolarHBondContact O-CB 3.42Å; Q136-D139 VanDerWaalsContact O-CG 3.29Å; Q136-D139 PolarHBondContact O-N 3.21Å
137	P	98	Very high	97.3	Very high	75 Å²	75	67.6 Å²	67.6	49%	0.487	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	124	175.9	-24.2	34.3	0	0	0	112.2
138	G	94.6	Very high	97.4	Very high	48 Å²	48	63.8 Å²	63.8	50%	0.495	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	-9.9	-176.2	0	0	0	0	0	114.6	Q136 K210 T211	Q136-G138 PolarHBondContact O-N 2.95Å; G138-K210 VanDerWaalsContact CA-O 3.3Å; G138-K210 WeakPolarHBondContact CA-O 3.33Å; G138-K210 PolarHBondContact N-O 3.23Å; G138-T211 PolarHBondContact N-O 3.33Å
139	D	97.1	Very high	97.4	Very high	63 Å²	63	65.3 Å²	65.3	34%	0.337	36%	0.356	S	S	.	.			trans	-65.1	144.4	176.8	-73	-5.2	0	0	0	111.7	L135 Q136 G209 K210	L135-D139 HydrophobicContact CB-CB 4.23Å; L135-D139 HydrophobicContact CD2-CB 4.32Å; Q136-D139 WeakPolarHBondContact CA-OD2 3.42Å; Q136-D139 WeakPolarHBondContact CB-OD2 3.42Å; Q136-D139 PolarHBondContact N-OD2 2.88Å; Q136-D139 VanDerWaalsContact O-CB 3.26Å; Q136-D139 WeakPolarHBondContact O-CB 3.42Å; Q136-D139 VanDerWaalsContact O-CG 3.29Å; Q136-D139 PolarHBondContact O-N 3.21Å; D139-G209 CarbonylContact O-C 3.53Å; D139-G209 WeakPolarHBondContact O-CA 3.33Å; D139-K210 PolarHBondContact O-N 3.38Å
140	Q	96.6	Very high	97.4	Very high	73 Å²	73	63.6 Å²	63.6	34%	0.341	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-144	120.5	167.8	177.4	175.9	-6.6	0	0	108.4	S142 N182 N207 I219	Q140-S142 PolarHBondContact O-N 2.93Å; Q140-N182 PolarHBondContact NE2-ND2 2.61Å; Q140-N207 HydrophobicContact CG-CB 4.32Å; Q140-I219 HydrophobicContact CG-CD1 4.24Å
141	L	96.9	Very high	97.4	Very high	49 Å²	49	59.2 Å²	59.2	26%	0.257	33%	0.325	S	S	.	.			trans	-86.5	85.9	178.2	-59.5	-173.8	0	0	0	109.9	Y132 L135 D143 V144 N207 P208	Y132-L141 HydrophobicContact CD1-CD1 4.05Å; Y132-L141 HydrophobicContact CE1-CD1 4.02Å; L135-L141 HydrophobicContact CD1-CD1 4.41Å; L135-L141 HydrophobicContact CD1-CG 4.36Å; L135-L141 HydrophobicContact CD2-CD1 4.06Å; L135-L141 HydrophobicContact CD2-CD2 4.06Å; L135-L141 HydrophobicContact CD2-CG 4.06Å; L141-D143 PolarHBondContact O-N 2.89Å; L141-V144 HydrophobicContact CB-CB 4.21Å; L141-V144 HydrophobicContact CB-CG2 4.27Å; L141-V144 HydrophobicContact CD1-CG2 4.38Å; L141-V144 PolarHBondContact O-N 2.87Å; L141-N207 WeakPolarHBondContact O-CB 3.37Å; L141-N207 PolarHBondContact O-ND2 2.97Å; L141-N207 VanDerWaalsContact O-ND2 3.12Å; L141-P208 HydrophobicContact CD1-CB 4.38Å; L141-P208 PolarHBondContact N-O 2.97Å
142	S	93.6	Very high	97.4	Very high	95 Å²	95	53.8 Å²	53.8	66%	0.664	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.3	-175.9	51.2	0	0	0	0	114.4	Q140 N207	Q140-S142 PolarHBondContact O-N 2.93Å; S142-N207 PolarHBondContact O-ND2 3.44Å
143	D	95.6	Very high	97.3	Very high	135 Å²	135	53.5 Å²	53.5	72%	0.722	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.9	179.5	60.8	-35.8	0	0	0	113.5	L141	L141-D143 PolarHBondContact O-N 2.89Å
144	V	97.8	Very high	97.3	Very high	38 Å²	38	49.9 Å²	49.9	23%	0.23	28%	0.284	C	S	.	.			trans	-106.2	118.5	-179.9	-179.9	0	0	0	0	109.9	L141 L146 N207 P208	L141-V144 HydrophobicContact CB-CB 4.21Å; L141-V144 HydrophobicContact CB-CG2 4.27Å; L141-V144 HydrophobicContact CD1-CG2 4.38Å; L141-V144 PolarHBondContact O-N 2.87Å; V144-L146 HydrophobicContact CG1-CD1 4.18Å; V144-L146 HydrophobicContact CG1-CG 4.05Å; V144-N207 WeakPolarHBondContact O-CA 3.48Å; V144-N207 PolarHBondContact O-ND2 3.06Å; V144-P208 HydrophobicContact CB-CG 4.44Å; V144-P208 HydrophobicContact CG1-CG 4Å; V144-P208 WeakPolarHBondContact O-CD 3.24Å
145	V	98.1	Very high	97.2	Very high	52 Å²	52	47.1 Å²	47.1	32%	0.315	27%	0.271	S	S	.	.			trans	-117.5	126.5	173.7	-177.3	0	0	0	0	109.2	R205 G206 I221	V145-R205 HydrophobicContact CG1-CG 3.75Å; V145-G206 WeakPolarHBondContact CA-O 3.33Å; V145-I221 HydrophobicContact CG1-CD1 3.95Å; V145-I221 HydrophobicContact CG2-CD1 3.87Å
146	L	98.3	Very high	97.1	Very high	19 Å²	19	54.2 Å²	54.2	10%	0.099	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.3	-179.4	-67.7	173.4	0	0	0	111	D122 L123 F128 Y132 V144 R205 G206 P208	D122-L146 HydrophobicContact CB-CD2 3.93Å; D122-L146 WeakPolarHBondContact OD2-CA 3.42Å; L123-L146 HydrophobicContact CD1-CD1 4.33Å; L123-L146 HydrophobicContact CD1-CD2 4Å; F128-L146 HydrophobicContact CD2-CD1 3.98Å; F128-L146 HydrophobicContact CE2-CD1 3.95Å; Y132-L146 HydrophobicContact CE2-CD1 3.49Å; Y132-L146 VanDerWaalsContact CE2-CD1 3.49Å; Y132-L146 WeakPolarHBondContact OH-CD1 3.36Å; V144-L146 HydrophobicContact CG1-CD1 4.18Å; V144-L146 HydrophobicContact CG1-CG 4.05Å; L146-R205 CarbonylContact O-C 3.59Å; L146-R205 VanDerWaalsContact O-CA 3.31Å; L146-R205 WeakPolarHBondContact O-CA 3.48Å; L146-G206 PolarHBondContact N-O 2.73Å; L146-G206 PolarHBondContact O-N 2.86Å; L146-P208 HydrophobicContact CD1-CG 4.25Å
147	A	98.6	Very high	97	Very high	6 Å²	6	52 Å²	52	5%	0.05	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.8	167.9	0	0	0	0	0	111	Y119 H120 D122 V204	Y119-A147 HydrophobicContact CE1-CB 4.02Å; H120-A147 WeakPolarHBondContact O-CB 3.34Å; D122-A147 PolarHBondContact N-O 2.88Å; D122-A147 WeakPolarHBondContact OD2-CB 3.45Å; D122-A147 PolarHBondContact OD2-N 3.12Å; A147-V204 WeakPolarHBondContact CA-O 3.4Å
148	V	98.8	Very high	96.8	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	165.6	172.2	-59.8	0	0	0	0	110	L125 F128 L167 L174 G203 V204 I218	L125-V148 HydrophobicContact CD2-CB 3.76Å; L125-V148 HydrophobicContact CD2-CG1 4.25Å; L125-V148 HydrophobicContact CD2-CG2 4.05Å; F128-V148 HydrophobicContact CD2-CG1 3.84Å; F128-V148 HydrophobicContact CE2-CG1 4.4Å; F128-V148 HydrophobicContact CG-CG1 4.47Å; V148-L167 HydrophobicContact CG2-CD2 4.21Å; V148-L174 HydrophobicContact CG2-CD2 4.32Å; V148-G203 CarbonylContact O-C 3.48Å; V148-G203 WeakPolarHBondContact O-CA 3.41Å; V148-V204 HydrophobicContact CG2-CB 4.02Å; V148-V204 PolarHBondContact N-O 3.09Å; V148-V204 PolarHBondContact O-N 2.87Å; V148-I218 HydrophobicContact CG1-CD1 4.5Å; V148-I218 HydrophobicContact CG2-CD1 3.72Å; V148-I218 HydrophobicContact CG2-CG2 4.42Å
149	S	98.7	Very high	96.7	Very high	33 Å²	33	52.3 Å²	52.3	23%	0.231	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.9	175.7	68.5	0	0	0	0	112.3	V121 I202	V121-S149 WeakPolarHBondContact CG2-OG 3.27Å; S149-I202 VanDerWaalsContact CA-O 3.27Å; S149-I202 WeakPolarHBondContact CA-O 3.47Å; S149-I202 WeakPolarHBondContact CB-O 3.36Å
150	G	98.5	Very high	96.4	Very high	7 Å²	7	53.9 Å²	53.9	7%	0.072	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.3	-174	176.9	0	0	0	0	0	112.8	L167 I201 I202	G150-L167 WeakPolarHBondContact O-CD1 3.46Å; G150-I201 WeakPolarHBondContact O-CA 3.47Å; G150-I202 PolarHBondContact N-O 2.74Å; G150-I202 VanDerWaalsContact N-O 3.09Å; G150-I202 PolarHBondContact O-N 2.96Å
151	R	98.6	Very high	96.4	Very high	65 Å²	65	55.5 Å²	55.5	25%	0.245	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.4	176.7	-171.3	175.9	-61.3	-81.4	6.1	110.9	H153 R168 G199 D200 I201	R151-H153 PolarHBondContact O-N 3.26Å; R151-R168 PolarHBondContact N-O 3.21Å; R151-R168 PolarHBondContact O-N 3.07Å; R151-G199 WeakPolarHBondContact CG-O 3.29Å; R151-G199 PolarHBondContact NH1-O 3.06Å; R151-D200 CarbonylContact C-O 3.52Å; R151-D200 WeakPolarHBondContact CA-O 3.49Å; R151-I201 HydrophobicContact CB-CD1 3.63Å; R151-I201 HydrophobicContact CG-CD1 3.92Å; R151-I201 VanDerWaalsContact CZ-CD1 3.42Å
152	V	98.1	Very high	96.4	Very high	0 Å²	0	55 Å²	55	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	112.6	170.8	178.7	0	0	0	0	109.5	A154 Y165 D166 G199 D200 I202	V152-A154 WeakPolarHBondContact CG1-O 3.27Å; V152-Y165 HydrophobicContact CG1-CD1 3.74Å; V152-Y165 HydrophobicContact CG2-CD1 4.09Å; V152-D166 CarbonylContact C-O 3.58Å; V152-G199 WeakPolarHBondContact O-CA 3.41Å; V152-G199 PolarHBondContact O-N 3.27Å; V152-D200 PolarHBondContact N-O 3.44Å; V152-I202 HydrophobicContact CG2-CD1 3.58Å; V152-I202 HydrophobicContact CG2-CG1 3.85Å; V152-I202 HydrophobicContact CG2-CG2 4Å
153	H	95.8	Very high	96.6	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.023	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-31.8	176.6	-117.3	70.2	0	0	0	113.2	R151 D166 R168 R198 I255	R151-H153 PolarHBondContact O-N 3.26Å; H153-D166 HydrophobicContact CB-CB 4.27Å; H153-D166 PolarHBondContact N-O 3.3Å; H153-R168 HydrophobicContact CB-CG 4.01Å; H153-R198 WeakPolarHBondContact O-CD 3.39Å; H153-R198 WeakPolarHBondContact O-CG 3.45Å; H153-R198 PolarHBondContact O-NE 2.84Å; H153-I255 PolarHBondContact CE1-O 2.86Å; H153-I255 PolarHBondContact NE2-O 3.05Å
154	A	95.5	Very high	96.7	Very high	21 Å²	21	46.6 Å²	46.6	17%	0.174	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	150.9	176.3	0	0	0	0	0	110.4	V152 Y165 D166	V152-A154 WeakPolarHBondContact CG1-O 3.27Å; A154-Y165 WeakPolarHBondContact O-CA 3.47Å; A154-D166 HydrophobicContact CB-CB 3.9Å; A154-D166 PolarHBondContact O-N 3.18Å
155	K	96	Very high	96.8	Very high	73 Å²	73	44.9 Å²	44.9	32%	0.317	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.1	174.3	176.8	-173.8	179.2	-170.5	0	107.8	I163 F164 Y165 N193 L196	K155-I163 HydrophobicContact CG-CG2 4.14Å; K155-F164 WeakPolarHBondContact CA-O 3.17Å; K155-Y165 HydrophobicContact CB-CD1 4.09Å; K155-Y165 HydrophobicContact CB-CE1 4.09Å; K155-Y165 HydrophobicContact CD-CE1 3.85Å; K155-Y165 HydrophobicContact CG-CD1 4.07Å; K155-Y165 HydrophobicContact CG-CE1 3.63Å; K155-N193 WeakPolarHBondContact CE-O 3.29Å; K155-N193 PolarHBondContact NZ-O 2.94Å; K155-L196 PolarHBondContact NZ-O 3.47Å
156	R	95.7	Very high	96.8	Very high	157 Å²	157	43.9 Å²	43.9	59%	0.592	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.1	-176.6	-64.6	-178.8	-65.7	162.7	-0.9	110.3	F164	R156-F164 PolarHBondContact N-O 2.64Å; R156-F164 PolarHBondContact O-N 3.29Å
157	A	95.3	Very high	96.8	Very high	78 Å²	78	43 Å²	43	65%	0.645	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	143.9	173.8	0	0	0	0	0	111	I163	A157-I163 HydrophobicContact CB-CG1 4.33Å
158	S	93.9	Very high	96.7	Very high	74 Å²	74	45.8 Å²	45.8	52%	0.517	26%	0.263	S	S	.	.	S	Bend	trans	-129.8	69.1	172.7	-167.6	0	0	0	0	108.4	L162	S158-L162 PolarHBondContact N-O 3.2Å
159	G	93.1	Very high	96.6	Very high	56 Å²	56	47.6 Å²	47.6	58%	0.577	28%	0.275	S	S	*	.	S	Bend	trans	81.3	178.5	-166.1	0	0	0	0	0	112.8	K161	G159-K161 VanDerWaalsContact C-N 3.34Å; G159-K161 PolarHBondContact O-N 2.86Å
160	A	91.5	Very high	96.4	Very high	95 Å²	95	49.6 Å²	49.6	79%	0.785	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-21	-172.5	0	0	0	0	0	114.4	F189	A160-F189 WeakPolarHBondContact O-CE1 3.46Å
161	K	95.8	Very high	96.1	Very high	107 Å²	107	50.8 Å²	50.8	47%	0.465	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	3	-173.6	-63.3	-159.8	176.2	-148.6	0	114.3	G159 S180 E186	G159-K161 VanDerWaalsContact C-N 3.34Å; G159-K161 PolarHBondContact O-N 2.86Å; K161-S180 PolarHBondContact O-N 3.34Å; K161-E186 IonicContact NZ-OE1 3.74Å; K161-E186 PolarHBondContact NZ-OE1 3.08Å; K161-E186 IonicContact NZ-OE2 2.8Å
162	L	97.1	Very high	96	Very high	39 Å²	39	49.7 Å²	49.7	20%	0.204	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	120.5	-176.1	-177.4	62.8	0	0	0	110.8	S158 F164 M177 A178 N179	S158-L162 PolarHBondContact N-O 3.2Å; L162-F164 HydrophobicContact CD1-CE1 4.39Å; L162-F164 HydrophobicContact CD1-CE2 4.47Å; L162-F164 HydrophobicContact CD1-CZ 4.11Å; L162-F164 HydrophobicContact CD2-CE2 3.81Å; L162-F164 HydrophobicContact CD2-CZ 3.68Å; L162-F164 HydrophobicContact CG-CE2 3.83Å; L162-F164 HydrophobicContact CG-CZ 3.88Å; L162-M177 HydrophobicContact CD1-CG 3.81Å; L162-A178 WeakPolarHBondContact CA-O 3.45Å; L162-N179 HydrophobicContact CD1-CB 4.05Å
163	I	98.2	Very high	96	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.097	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.7	177.7	-59.1	-174.2	0	0	0	108.8	K155 A157 Y165 A178 F189 N193	K155-I163 HydrophobicContact CG-CG2 4.14Å; A157-I163 HydrophobicContact CB-CG1 4.33Å; I163-Y165 HydrophobicContact CB-CE2 4.36Å; I163-Y165 HydrophobicContact CG2-CD2 4.26Å; I163-Y165 HydrophobicContact CG2-CE2 3.67Å; I163-A178 PolarHBondContact N-O 3.02Å; I163-A178 WeakPolarHBondContact O-CA 3.36Å; I163-A178 WeakPolarHBondContact O-CB 3.47Å; I163-A178 PolarHBondContact O-N 3.35Å; I163-F189 HydrophobicContact CG1-CZ 4.26Å; I163-N193 HydrophobicContact CD1-CB 3.67Å
164	F	98.3	Very high	96.1	Very high	35 Å²	35	54.7 Å²	54.7	15%	0.154	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.4	176.7	-61.1	-78.5	0	0	0	110.4	K155 R156 L162 Q175 V176 M177	K155-F164 WeakPolarHBondContact CA-O 3.17Å; R156-F164 PolarHBondContact N-O 2.64Å; R156-F164 PolarHBondContact O-N 3.29Å; L162-F164 HydrophobicContact CD1-CE1 4.39Å; L162-F164 HydrophobicContact CD1-CE2 4.47Å; L162-F164 HydrophobicContact CD1-CZ 4.11Å; L162-F164 HydrophobicContact CD2-CE2 3.81Å; L162-F164 HydrophobicContact CD2-CZ 3.68Å; L162-F164 HydrophobicContact CG-CE2 3.83Å; L162-F164 HydrophobicContact CG-CZ 3.88Å; F164-Q175 HydrophobicContact CD1-CG 4.18Å; F164-Q175 VanDerWaalsContact CE1-NE2 3.33Å; F164-V176 VanDerWaalsContact CA-O 3.31Å; F164-V176 WeakPolarHBondContact CA-O 3.47Å; F164-M177 HydrophobicContact CD1-CB 4.08Å; F164-M177 HydrophobicContact CD1-CG 4.01Å; F164-M177 HydrophobicContact CE1-CB 3.96Å; F164-M177 HydrophobicContact CE1-CG 3.47Å; F164-M177 VanDerWaalsContact CE1-CG 3.47Å; F164-M177 HydrophobicContact CE1-SD 3.94Å; F164-M177 HydrophobicContact CZ-CG 4.32Å
165	Y	98.6	Very high	96.3	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.7	167.9	-56.3	-97	0	0	0	109.9	V152 A154 K155 I163 V176 A178 N193 L196 I223	V152-Y165 HydrophobicContact CG1-CD1 3.74Å; V152-Y165 HydrophobicContact CG2-CD1 4.09Å; A154-Y165 WeakPolarHBondContact O-CA 3.47Å; K155-Y165 HydrophobicContact CB-CD1 4.09Å; K155-Y165 HydrophobicContact CB-CE1 4.09Å; K155-Y165 HydrophobicContact CD-CE1 3.85Å; K155-Y165 HydrophobicContact CG-CD1 4.07Å; K155-Y165 HydrophobicContact CG-CE1 3.63Å; I163-Y165 HydrophobicContact CB-CE2 4.36Å; I163-Y165 HydrophobicContact CG2-CD2 4.26Å; I163-Y165 HydrophobicContact CG2-CE2 3.67Å; Y165-V176 HydrophobicContact CD2-CB 4.35Å; Y165-V176 HydrophobicContact CD2-CG1 4.38Å; Y165-V176 PolarHBondContact N-O 2.71Å; Y165-V176 PolarHBondContact O-N 3.4Å; Y165-A178 HydrophobicContact CD2-CB 4.48Å; Y165-A178 HydrophobicContact CE2-CB 4.21Å; Y165-N193 PolarHBondContact OH-OD1 2.85Å; Y165-L196 HydrophobicContact CE1-CB 4.12Å; Y165-L196 HydrophobicContact CE1-CD1 4.12Å; Y165-I223 HydrophobicContact CE2-CD1 4.22Å
166	D	97.9	Very high	96.4	Very high	30 Å²	30	51.2 Å²	51.2	16%	0.16	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	106.6	164.6	-178.6	5.5	0	0	0	107.2	V152 H153 A154 R168	V152-D166 CarbonylContact C-O 3.58Å; H153-D166 HydrophobicContact CB-CB 4.27Å; H153-D166 PolarHBondContact N-O 3.3Å; A154-D166 HydrophobicContact CB-CB 3.9Å; A154-D166 PolarHBondContact O-N 3.18Å; D166-R168 IonicContact OD1-NE 3.67Å; D166-R168 IonicContact OD2-CZ 2.72Å; D166-R168 IonicContact OD2-NE 2.73Å; D166-R168 PolarHBondContact OD2-NE 2.82Å; D166-R168 IonicContact OD2-NH2 3.29Å; D166-R168 PolarHBondContact OD2-NH2 3.35Å; D166-R168 VanDerWaalsContact OD2-NH2 3.12Å
167	L	98.5	Very high	96.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.8	-178.9	-169.3	70.6	0	0	0	109.4	L125 V148 G150 K173 L174 V176 I202 V204	L125-L167 HydrophobicContact CD1-CD2 4.49Å; L125-L167 HydrophobicContact CD1-CG 4.4Å; L125-L167 HydrophobicContact CD2-CD2 4.27Å; V148-L167 HydrophobicContact CG2-CD2 4.21Å; G150-L167 WeakPolarHBondContact O-CD1 3.46Å; L167-K173 CarbonylContact O-C 3.51Å; L167-K173 WeakPolarHBondContact O-CA 3.27Å; L167-L174 WeakPolarHBondContact CB-O 3.23Å; L167-L174 PolarHBondContact N-O 3.47Å; L167-L174 PolarHBondContact O-N 2.75Å; L167-V176 HydrophobicContact CB-CG2 3.96Å; L167-V176 HydrophobicContact CD2-CG2 4.2Å; L167-I202 HydrophobicContact CD1-CD1 3.94Å; L167-I202 HydrophobicContact CD1-CG1 3.54Å; L167-V204 HydrophobicContact CD2-CG2 4.16Å
168	R	97.9	Very high	96.7	Very high	66 Å²	66	41.6 Å²	41.6	25%	0.249	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.8	179.9	-61.7	-162.6	-172.6	-169.7	4.7	112.6	R151 H153 D166 V172 K173 D258	R151-R168 PolarHBondContact N-O 3.21Å; R151-R168 PolarHBondContact O-N 3.07Å; H153-R168 HydrophobicContact CB-CG 4.01Å; D166-R168 IonicContact OD1-NE 3.67Å; D166-R168 IonicContact OD2-CZ 2.72Å; D166-R168 IonicContact OD2-NE 2.73Å; D166-R168 PolarHBondContact OD2-NE 2.82Å; D166-R168 IonicContact OD2-NH2 3.29Å; D166-R168 PolarHBondContact OD2-NH2 3.35Å; D166-R168 VanDerWaalsContact OD2-NH2 3.12Å; R168-V172 WeakPolarHBondContact CA-O 3.21Å; R168-K173 HydrophobicContact CG-CB 4.1Å; R168-D258 IonicContact NH1-OD2 3.62Å
169	S	96.1	Very high	96.8	Very high	38 Å²	38	39.9 Å²	39.9	27%	0.266	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	158.5	171.7	-170.3	0	0	0	0	107.6	L125 G171 V172	L125-S169 VanDerWaalsContact CD1-CB 3.47Å; S169-G171 PolarHBondContact O-N 2.75Å; S169-V172 PolarHBondContact N-O 2.78Å; S169-V172 VanDerWaalsContact O-CG2 3.28Å; S169-V172 WeakPolarHBondContact O-CG2 3.44Å; S169-V172 PolarHBondContact O-N 2.7Å; S169-V172 VanDerWaalsContact O-O 3.07Å
170	E	93.8	Very high	97	Very high	74 Å²	74	37.6 Å²	37.6	35%	0.346	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	11.7	171.2	-59.9	143	-139.7	0	0	116.2	S124 L125 T126 V172	S124-E170 WeakPolarHBondContact CB-OE2 3.41Å; L125-E170 PolarHBondContact N-OE1 2.75Å; L125-E170 PolarHBondContact N-OE2 2.95Å; T126-E170 WeakPolarHBondContact CB-OE2 3.49Å; T126-E170 PolarHBondContact N-OE2 3.32Å; T126-E170 PolarHBondContact OG1-OE2 3.16Å; E170-V172 VanDerWaalsContact C-N 3.33Å; E170-V172 HydrophobicContact CB-CG2 4.42Å
171	G	93.3	Very high	97.2	Very high	32 Å²	32	43.3 Å²	43.3	33%	0.33	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	11	-173.3	0	0	0	0	0	114.1	S169	S169-G171 PolarHBondContact O-N 2.75Å
172	V	96.6	Very high	97.2	Very high	43 Å²	43	40.8 Å²	40.8	26%	0.261	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	166.8	173.7	-60.3	0	0	0	0	110.9	L125 I129 R168 S169 E170	L125-V172 HydrophobicContact CB-CG2 3.68Å; I129-V172 HydrophobicContact CD1-CB 3.78Å; I129-V172 HydrophobicContact CD1-CG1 4.47Å; I129-V172 HydrophobicContact CD1-CG2 3.78Å; R168-V172 WeakPolarHBondContact CA-O 3.21Å; S169-V172 PolarHBondContact N-O 2.78Å; S169-V172 VanDerWaalsContact O-CG2 3.28Å; S169-V172 WeakPolarHBondContact O-CG2 3.44Å; S169-V172 PolarHBondContact O-N 2.7Å; S169-V172 VanDerWaalsContact O-O 3.07Å; E170-V172 VanDerWaalsContact C-N 3.33Å; E170-V172 HydrophobicContact CB-CG2 4.42Å
173	K	97.2	Very high	97.2	Very high	107 Å²	107	39.8 Å²	39.8	47%	0.465	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.7	177.5	66.7	171.2	-172	159.3	0	111	I129 L167 R168 E215	I129-K173 WeakPolarHBondContact CD1-O 3.41Å; L167-K173 CarbonylContact O-C 3.51Å; L167-K173 WeakPolarHBondContact O-CA 3.27Å; R168-K173 HydrophobicContact CG-CB 4.1Å; K173-E215 IonicContact NZ-OE1 2.63Å; K173-E215 PolarHBondContact NZ-OE1 3.09Å
174	L	98.6	Very high	97	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.6	171.2	-180	64.2	0	0	0	109.3	L125 F128 V148 L167 L216 I218	L125-L174 HydrophobicContact CD1-CB 4.43Å; L125-L174 HydrophobicContact CD2-CB 4.3Å; L125-L174 HydrophobicContact CD2-CD2 3.85Å; F128-L174 HydrophobicContact CD1-CD1 3.86Å; F128-L174 HydrophobicContact CD1-CD2 3.79Å; F128-L174 HydrophobicContact CE1-CD1 3.76Å; F128-L174 HydrophobicContact CE1-CD2 3.91Å; F128-L174 HydrophobicContact CG-CD2 4.19Å; F128-L174 HydrophobicContact CZ-CD2 4.38Å; V148-L174 HydrophobicContact CG2-CD2 4.32Å; L167-L174 WeakPolarHBondContact CB-O 3.23Å; L167-L174 PolarHBondContact N-O 3.47Å; L167-L174 PolarHBondContact O-N 2.75Å; L174-L216 HydrophobicContact CD1-CD2 4.33Å; L174-L216 HydrophobicContact CD1-CG 4.17Å; L174-I218 HydrophobicContact CD2-CB 4.28Å; L174-I218 HydrophobicContact CD2-CG2 4.01Å; L174-I218 HydrophobicContact CG-CG2 4.45Å
175	Q	98.7	Very high	96.9	Very high	21 Å²	21	45 Å²	45	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	134	174.2	-175.7	176.6	27	0	0	110.3	F164 E215 L216 S217 I218	F164-Q175 HydrophobicContact CD1-CG 4.18Å; F164-Q175 VanDerWaalsContact CE1-NE2 3.33Å; Q175-E215 HydrophobicContact CB-CG 4.11Å; Q175-E215 VanDerWaalsContact OE1-CB 3.28Å; Q175-L216 WeakPolarHBondContact CB-O 3.43Å; Q175-S217 CarbonylContact O-C 3.57Å; Q175-S217 WeakPolarHBondContact O-CA 3.37Å; Q175-S217 PolarHBondContact OE1-OG 3.28Å; Q175-I218 PolarHBondContact O-N 2.98Å
176	V	98.8	Very high	96.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.2	163.9	-175.3	0	0	0	0	107.4	F164 Y165 L167 V204 I218 P220 I223	F164-V176 VanDerWaalsContact CA-O 3.31Å; F164-V176 WeakPolarHBondContact CA-O 3.47Å; Y165-V176 HydrophobicContact CD2-CB 4.35Å; Y165-V176 HydrophobicContact CD2-CG1 4.38Å; Y165-V176 PolarHBondContact N-O 2.71Å; Y165-V176 PolarHBondContact O-N 3.4Å; L167-V176 HydrophobicContact CB-CG2 3.96Å; L167-V176 HydrophobicContact CD2-CG2 4.2Å; V176-V204 HydrophobicContact CG1-CG1 3.96Å; V176-V204 HydrophobicContact CG2-CG1 4.42Å; V176-V204 HydrophobicContact CG2-CG2 4.02Å; V176-I218 WeakPolarHBondContact CA-O 3.39Å; V176-I218 HydrophobicContact CB-CG2 4.27Å; V176-I218 HydrophobicContact CG1-CG2 4.31Å; V176-I218 HydrophobicContact CG2-CG2 3.86Å; V176-P220 HydrophobicContact CG1-CB 4.33Å; V176-P220 HydrophobicContact CG1-CG 3.85Å; V176-I223 HydrophobicContact CG1-CD1 4.26Å
177	M	98.4	Very high	96.6	Very high	34 Å²	34	54.7 Å²	54.7	17%	0.167	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	83.3	176.9	-179.5	174.5	74.1	0	0	109.4	L162 F164 N179 T211 I218 I219 P220	L162-M177 HydrophobicContact CD1-CG 3.81Å; F164-M177 HydrophobicContact CD1-CB 4.08Å; F164-M177 HydrophobicContact CD1-CG 4.01Å; F164-M177 HydrophobicContact CE1-CB 3.96Å; F164-M177 HydrophobicContact CE1-CG 3.47Å; F164-M177 VanDerWaalsContact CE1-CG 3.47Å; F164-M177 HydrophobicContact CE1-SD 3.94Å; F164-M177 HydrophobicContact CZ-CG 4.32Å; M177-N179 PolarHBondContact O-N 2.88Å; M177-T211 HydrophobicContact SD-CG2 3.95Å; M177-I218 PolarHBondContact N-O 3.33Å; M177-I219 HydrophobicContact CE-CD1 4.26Å; M177-I219 HydrophobicContact CE-CG1 3.56Å; M177-P220 WeakPolarHBondContact O-CD 3.43Å
178	A	98.3	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	103.9	-179.5	0	0	0	0	0	110.5	L162 I163 Y165 F189 P220 I223	L162-A178 WeakPolarHBondContact CA-O 3.45Å; I163-A178 PolarHBondContact N-O 3.02Å; I163-A178 WeakPolarHBondContact O-CA 3.36Å; I163-A178 WeakPolarHBondContact O-CB 3.47Å; I163-A178 PolarHBondContact O-N 3.35Å; Y165-A178 HydrophobicContact CD2-CB 4.48Å; Y165-A178 HydrophobicContact CE2-CB 4.21Å; A178-F189 HydrophobicContact CB-CE2 3.93Å; A178-F189 WeakPolarHBondContact O-CE2 3.37Å; A178-P220 HydrophobicContact CB-CG 3.74Å; A178-I223 HydrophobicContact CB-CD1 4.35Å
179	N	97	Very high	96.5	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.203	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129	175.6	-171.2	-32.2	0	0	0	109.8	L162 M177 R181 N182 Y183	L162-N179 HydrophobicContact CD1-CB 4.05Å; M177-N179 PolarHBondContact O-N 2.88Å; N179-R181 PolarHBondContact O-N 3.32Å; N179-R181 VanDerWaalsContact O-N 3.1Å; N179-R181 PolarHBondContact OD1-N 2.89Å; N179-N182 PolarHBondContact O-N 2.71Å; N179-Y183 PolarHBondContact O-N 3.43Å
180	S	96.9	Very high	96.5	Very high	7 Å²	7	54.5 Å²	54.5	5%	0.049	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.8	-179.6	176.4	0	0	0	0	113.3	K161 N182 E186	K161-S180 PolarHBondContact O-N 3.34Å; S180-N182 VanDerWaalsContact C-N 3.33Å; S180-E186 WeakPolarHBondContact OG-CG 3.35Å
181	R	95.8	Very high	96.5	Very high	216 Å²	216	53.1 Å²	53.1	82%	0.815	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.3	178.7	-63.9	-177.4	-178.2	-176.7	-0.3	113.9	N179	N179-R181 PolarHBondContact O-N 3.32Å; N179-R181 VanDerWaalsContact O-N 3.1Å; N179-R181 PolarHBondContact OD1-N 2.89Å
182	N	95.3	Very high	96.7	Very high	54 Å²	54	52 Å²	52	29%	0.289	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-8.2	-177.1	-62.2	100.7	0	0	0	112.3	Q140 N179 S180 I219	Q140-N182 PolarHBondContact NE2-ND2 2.61Å; N179-N182 PolarHBondContact O-N 2.71Å; S180-N182 VanDerWaalsContact C-N 3.33Å; N182-I219 HydrophobicContact CB-CG2 3.63Å
183	Y	97.5	Very high	96.7	Very high	17 Å²	17	50.1 Å²	50.1	7%	0.067	25%	0.246	C	C	.	.	S	Bend	trans	-85.1	157.5	-178	-149.3	-103.2	0	0	0	111.4	N179 S185 A188 F189 V192 P220 I223	N179-Y183 PolarHBondContact O-N 3.43Å; Y183-S185 PolarHBondContact O-N 2.87Å; Y183-S185 VanDerWaalsContact O-N 3.11Å; Y183-A188 HydrophobicContact CD1-CB 4.21Å; Y183-A188 HydrophobicContact CE1-CB 3.98Å; Y183-F189 VanDerWaalsContact CD1-CA 3.49Å; Y183-F189 HydrophobicContact CD1-CB 3.65Å; Y183-F189 HydrophobicContact CD1-CD2 4.42Å; Y183-F189 HydrophobicContact CD2-CD2 4.28Å; Y183-F189 HydrophobicContact CE1-CB 4.36Å; Y183-F189 HydrophobicContact CG-CB 3.98Å; Y183-F189 AromaticContact CG-CD2 3.98Å; Y183-F189 HydrophobicContact CG-CD2 3.98Å; Y183-F189 HydrophobicContact CG-CG 4.5Å; Y183-V192 HydrophobicContact CE1-CG1 4.06Å; Y183-V192 HydrophobicContact CE2-CG1 4.46Å; Y183-V192 WeakPolarHBondContact OH-CG1 3.41Å; Y183-P220 HydrophobicContact CD2-CB 4.39Å; Y183-P220 HydrophobicContact CD2-CG 4.3Å; Y183-P220 WeakPolarHBondContact CD2-O 3.32Å; Y183-P220 HydrophobicContact CE2-CB 4.21Å; Y183-P220 HydrophobicContact CE2-CG 4.38Å; Y183-I223 HydrophobicContact CE2-CD1 4.33Å; Y183-I223 HydrophobicContact CE2-CG1 4.11Å; Y183-I223 PolarHBondContact OH-N 2.86Å; Y183-I223 PolarHBondContact OH-O 2.75Å
184	K	93.9	Very high	96.6	Very high	123 Å²	123	49.6 Å²	49.6	54%	0.535	25%	0.249	S	C	.	.	S	Bend	trans	-54.6	-32.7	-175.2	67.5	-178.2	-179.3	-179	0	115.3	A188 I221 E222	K184-A188 HydrophobicContact CD-CB 4.15Å; K184-A188 VanDerWaalsContact CE-CB 3.44Å; K184-A188 HydrophobicContact CG-CB 3.68Å; K184-I221 PolarHBondContact N-O 3.13Å; K184-E222 IonicContact NZ-OE1 2.98Å; K184-E222 PolarHBondContact NZ-OE1 2.72Å
185	S	96.6	Very high	96.4	Very high	41 Å²	41	51.3 Å²	51.3	29%	0.287	26%	0.256	S	S	.	.			trans	-161.2	162.8	167.5	89.8	0	0	0	0	110.4	Y183 E187 A188 F189	Y183-S185 PolarHBondContact O-N 2.87Å; Y183-S185 VanDerWaalsContact O-N 3.11Å; S185-E187 VanDerWaalsContact C-N 3.33Å; S185-E187 VanDerWaalsContact CB-OE2 3.3Å; S185-E187 WeakPolarHBondContact CB-OE2 3.3Å; S185-E187 PolarHBondContact OG-N 2.98Å; S185-E187 PolarHBondContact OG-OE2 2.74Å; S185-A188 WeakPolarHBondContact OG-CB 3.42Å; S185-A188 PolarHBondContact OG-N 3.44Å; S185-F189 WeakPolarHBondContact O-CB 3.37Å; S185-F189 PolarHBondContact O-N 2.96Å
186	E	94.9	Very high	96.3	Very high	97 Å²	97	50.3 Å²	50.3	45%	0.453	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-37.6	176.1	-63.2	-154.5	153.7	0	0	111.2	K161 S180 F189 V190	K161-E186 IonicContact NZ-OE1 3.74Å; K161-E186 PolarHBondContact NZ-OE1 3.08Å; K161-E186 IonicContact NZ-OE2 2.8Å; S180-E186 WeakPolarHBondContact OG-CG 3.35Å; E186-F189 WeakPolarHBondContact O-CB 3.46Å; E186-F189 PolarHBondContact O-N 3.44Å; E186-V190 WeakPolarHBondContact O-CG2 3.36Å; E186-V190 PolarHBondContact O-N 2.63Å
187	E	95.7	Very high	96.2	Very high	139 Å²	139	53.2 Å²	53.2	65%	0.65	26%	0.262	S	S	*	.	H	α-helix	trans	-65.6	-45.3	178.3	-55.6	71.9	-155.7	0	0	111.2	S185 F189 V190 A191	S185-E187 VanDerWaalsContact C-N 3.33Å; S185-E187 VanDerWaalsContact CB-OE2 3.3Å; S185-E187 WeakPolarHBondContact CB-OE2 3.3Å; S185-E187 PolarHBondContact OG-N 2.98Å; S185-E187 PolarHBondContact OG-OE2 2.74Å; E187-F189 VanDerWaalsContact C-N 3.29Å; E187-F189 PolarHBondContact O-N 3.2Å; E187-V190 PolarHBondContact O-N 3.47Å; E187-A191 WeakPolarHBondContact O-CB 3.38Å; E187-A191 PolarHBondContact O-N 3.38Å
188	A	95.3	Very high	96.1	Very high	20 Å²	20	53.9 Å²	53.9	17%	0.165	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-34.4	177.3	0	0	0	0	0	112	Y183 K184 S185 V192	Y183-A188 HydrophobicContact CD1-CB 4.21Å; Y183-A188 HydrophobicContact CE1-CB 3.98Å; K184-A188 HydrophobicContact CD-CB 4.15Å; K184-A188 VanDerWaalsContact CE-CB 3.44Å; K184-A188 HydrophobicContact CG-CB 3.68Å; S185-A188 WeakPolarHBondContact OG-CB 3.42Å; S185-A188 PolarHBondContact OG-N 3.44Å; A188-V192 WeakPolarHBondContact O-CG1 3.02Å; A188-V192 PolarHBondContact O-N 3.45Å
189	F	97.3	Very high	96.1	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-49.6	173.8	175.5	-95	0	0	0	110.5	A160 I163 A178 Y183 S185 E186 E187 A191 V192 N193	A160-F189 WeakPolarHBondContact O-CE1 3.46Å; I163-F189 HydrophobicContact CG1-CZ 4.26Å; A178-F189 HydrophobicContact CB-CE2 3.93Å; A178-F189 WeakPolarHBondContact O-CE2 3.37Å; Y183-F189 VanDerWaalsContact CD1-CA 3.49Å; Y183-F189 HydrophobicContact CD1-CB 3.65Å; Y183-F189 HydrophobicContact CD1-CD2 4.42Å; Y183-F189 HydrophobicContact CD2-CD2 4.28Å; Y183-F189 HydrophobicContact CE1-CB 4.36Å; Y183-F189 HydrophobicContact CG-CB 3.98Å; Y183-F189 AromaticContact CG-CD2 3.98Å; Y183-F189 HydrophobicContact CG-CD2 3.98Å; Y183-F189 HydrophobicContact CG-CG 4.5Å; S185-F189 WeakPolarHBondContact O-CB 3.37Å; S185-F189 PolarHBondContact O-N 2.96Å; E186-F189 WeakPolarHBondContact O-CB 3.46Å; E186-F189 PolarHBondContact O-N 3.44Å; E187-F189 VanDerWaalsContact C-N 3.29Å; E187-F189 PolarHBondContact O-N 3.2Å; F189-A191 PolarHBondContact O-N 3.2Å; F189-V192 WeakPolarHBondContact O-CG1 3.27Å; F189-N193 WeakPolarHBondContact CD1-ND2 3.46Å; F189-N193 VanDerWaalsContact CD2-ND2 3.3Å; F189-N193 WeakPolarHBondContact CD2-ND2 3.38Å; F189-N193 WeakPolarHBondContact CE1-ND2 3.44Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.43Å; F189-N193 WeakPolarHBondContact CG-ND2 3.35Å; F189-N193 WeakPolarHBondContact CZ-ND2 3.19Å; F189-N193 VanDerWaalsContact O-CB 3.27Å; F189-N193 WeakPolarHBondContact O-CB 3.44Å; F189-N193 PolarHBondContact O-N 3.36Å; F189-N193 VanDerWaalsContact O-N 3.11Å; F189-N193 PolarHBondContact O-ND2 3.48Å
190	V	96.7	Very high	96.1	Very high	75 Å²	75	52 Å²	52	46%	0.455	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-46.4	177.4	173.6	0	0	0	0	111	E186 E187 V192 N193 N194	E186-V190 WeakPolarHBondContact O-CG2 3.36Å; E186-V190 PolarHBondContact O-N 2.63Å; E187-V190 PolarHBondContact O-N 3.47Å; V190-V192 PolarHBondContact O-N 3.49Å; V190-N193 PolarHBondContact O-N 3.37Å; V190-N194 WeakPolarHBondContact CG1-ND2 3.11Å; V190-N194 WeakPolarHBondContact O-CB 3.45Å; V190-N194 PolarHBondContact O-N 3.2Å
191	A	94.9	Very high	96.2	Very high	46 Å²	46	53.7 Å²	53.7	38%	0.38	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-49	-178.6	0	0	0	0	0	112.8	E187 F189 N193 N194 K195	E187-A191 WeakPolarHBondContact O-CB 3.38Å; E187-A191 PolarHBondContact O-N 3.38Å; F189-A191 PolarHBondContact O-N 3.2Å; A191-N193 VanDerWaalsContact C-N 3.34Å; A191-N193 PolarHBondContact O-N 3.42Å; A191-N194 PolarHBondContact O-N 3.1Å; A191-K195 WeakPolarHBondContact O-CB 3.28Å; A191-K195 PolarHBondContact O-N 3.42Å; A191-K195 VanDerWaalsContact O-N 3.14Å
192	V	96.1	Very high	96.4	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-40.6	179.4	76.5	0	0	0	0	111.4	Y183 A188 F189 V190 N194 K195 L196 I223	Y183-V192 HydrophobicContact CE1-CG1 4.06Å; Y183-V192 HydrophobicContact CE2-CG1 4.46Å; Y183-V192 WeakPolarHBondContact OH-CG1 3.41Å; A188-V192 WeakPolarHBondContact O-CG1 3.02Å; A188-V192 PolarHBondContact O-N 3.45Å; F189-V192 WeakPolarHBondContact O-CG1 3.27Å; V190-V192 PolarHBondContact O-N 3.49Å; V192-N194 VanDerWaalsContact C-N 3.34Å; V192-N194 PolarHBondContact O-N 2.92Å; V192-K195 WeakPolarHBondContact O-CB 3.31Å; V192-K195 PolarHBondContact O-N 3.24Å; V192-K195 VanDerWaalsContact O-N 3.16Å; V192-L196 HydrophobicContact CG2-CD1 3.85Å; V192-L196 HydrophobicContact CG2-CG 4.09Å; V192-L196 WeakPolarHBondContact O-CG 3.49Å; V192-L196 PolarHBondContact O-N 2.94Å; V192-I223 HydrophobicContact CG2-CB 4.06Å; V192-I223 HydrophobicContact CG2-CG2 4.24Å
193	N	96.6	Very high	96.5	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-71.4	-32.7	-176.8	-69.6	-34.8	0	0	0	111.4	K155 I163 Y165 F189 V190 A191 K195	K155-N193 WeakPolarHBondContact CE-O 3.29Å; K155-N193 PolarHBondContact NZ-O 2.94Å; I163-N193 HydrophobicContact CD1-CB 3.67Å; Y165-N193 PolarHBondContact OH-OD1 2.85Å; F189-N193 WeakPolarHBondContact CD1-ND2 3.46Å; F189-N193 VanDerWaalsContact CD2-ND2 3.3Å; F189-N193 WeakPolarHBondContact CD2-ND2 3.38Å; F189-N193 WeakPolarHBondContact CE1-ND2 3.44Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.43Å; F189-N193 WeakPolarHBondContact CG-ND2 3.35Å; F189-N193 WeakPolarHBondContact CZ-ND2 3.19Å; F189-N193 VanDerWaalsContact O-CB 3.27Å; F189-N193 WeakPolarHBondContact O-CB 3.44Å; F189-N193 PolarHBondContact O-N 3.36Å; F189-N193 VanDerWaalsContact O-N 3.11Å; F189-N193 PolarHBondContact O-ND2 3.48Å; V190-N193 PolarHBondContact O-N 3.37Å; A191-N193 VanDerWaalsContact C-N 3.34Å; A191-N193 PolarHBondContact O-N 3.42Å; N193-K195 VanDerWaalsContact C-N 3.3Å
194	N	94.8	Very high	96.6	Very high	96 Å²	96	40 Å²	40	51%	0.513	21%	0.205	S	C	.	.	H	α-helix	trans	-70.3	-27.2	172.7	-72.4	-9.4	0	0	0	112.5	V190 A191 V192 R197	V190-N194 WeakPolarHBondContact CG1-ND2 3.11Å; V190-N194 WeakPolarHBondContact O-CB 3.45Å; V190-N194 PolarHBondContact O-N 3.2Å; A191-N194 PolarHBondContact O-N 3.1Å; V192-N194 VanDerWaalsContact C-N 3.34Å; V192-N194 PolarHBondContact O-N 2.92Å; N194-R197 PolarHBondContact O-NH1 3.24Å
195	K	94.7	Very high	96.8	Very high	37 Å²	37	39.5 Å²	39.5	16%	0.161	20%	0.2	C	C	.	.	H	α-helix	trans	-80.3	-45.2	179.2	173.1	167.1	46.3	-174.3	0	113.1	R100 L107 E112 A191 V192 N193 R197 L225	R100-K195 PolarHBondContact NH1-O 3.34Å; L107-K195 HydrophobicContact CD1-CD 3.8Å; L107-K195 HydrophobicContact CD1-CG 4.18Å; L107-K195 HydrophobicContact CD2-CD 4.42Å; E112-K195 IonicContact OE1-NZ 3.54Å; E112-K195 PolarHBondContact OE1-NZ 2.89Å; E112-K195 IonicContact OE2-NZ 3.28Å; E112-K195 PolarHBondContact OE2-NZ 3.28Å; A191-K195 WeakPolarHBondContact O-CB 3.28Å; A191-K195 PolarHBondContact O-N 3.42Å; A191-K195 VanDerWaalsContact O-N 3.14Å; V192-K195 WeakPolarHBondContact O-CB 3.31Å; V192-K195 PolarHBondContact O-N 3.24Å; V192-K195 VanDerWaalsContact O-N 3.16Å; N193-K195 VanDerWaalsContact C-N 3.3Å; K195-R197 PolarHBondContact O-NH1 2.97Å; K195-L225 HydrophobicContact CD-CD2 4.23Å; K195-L225 HydrophobicContact CG-CD2 4.25Å
196	L	97.6	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.			trans	-71.9	141.9	-173	-65.8	179.1	0	0	0	113.2	K155 Y165 V192 D200 I202 I223 L225	K155-L196 PolarHBondContact NZ-O 3.47Å; Y165-L196 HydrophobicContact CE1-CB 4.12Å; Y165-L196 HydrophobicContact CE1-CD1 4.12Å; V192-L196 HydrophobicContact CG2-CD1 3.85Å; V192-L196 HydrophobicContact CG2-CG 4.09Å; V192-L196 WeakPolarHBondContact O-CG 3.49Å; V192-L196 PolarHBondContact O-N 2.94Å; L196-D200 WeakPolarHBondContact CA-OD2 3.46Å; L196-D200 HydrophobicContact CD2-CB 4.45Å; L196-I202 HydrophobicContact CD1-CG2 4.08Å; L196-I202 HydrophobicContact CD2-CG2 3.51Å; L196-I202 HydrophobicContact CG-CG2 4.42Å; L196-I223 HydrophobicContact CD1-CG2 3.64Å; L196-L225 HydrophobicContact CD2-CB 4.11Å; L196-L225 HydrophobicContact CD2-CD1 3.91Å
197	R	96.9	Very high	97.1	Very high	61 Å²	61	33.5 Å²	33.5	23%	0.23	17%	0.168	C	C	.	.			trans	-130.4	166.3	174.8	-65.5	-64.7	-175	-73.2	0.7	111	D88 Y96 N194 K195 G199 D200	D88-R197 WeakPolarHBondContact OD2-CD 3.49Å; D88-R197 IonicContact OD2-CZ 3.71Å; D88-R197 IonicContact OD2-NE 3.09Å; D88-R197 PolarHBondContact OD2-NE 3.35Å; Y96-R197 WeakPolarHBondContact OH-CB 3.36Å; N194-R197 PolarHBondContact O-NH1 3.24Å; K195-R197 PolarHBondContact O-NH1 2.97Å; R197-G199 PolarHBondContact O-N 3.42Å; R197-D200 PolarHBondContact N-OD2 3.37Å; R197-D200 PolarHBondContact O-N 3.48Å
198	R	96.1	Very high	97.2	Very high	48 Å²	48	26.9 Å²	26.9	18%	0.181	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	135.4	168.5	178.5	174	175.1	-120.5	-12.9	109.3	H153 L233 P234	H153-R198 WeakPolarHBondContact O-CD 3.39Å; H153-R198 WeakPolarHBondContact O-CG 3.45Å; H153-R198 PolarHBondContact O-NE 2.84Å; R198-L233 HydrophobicContact CG-CD1 4.47Å; R198-L233 PolarHBondContact NH1-O 3.1Å; R198-P234 PolarHBondContact NH1-O 2.87Å; R198-P234 PolarHBondContact NH2-O 3.28Å
199	G	96.9	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	96	-18.1	-179.1	0	0	0	0	0	114.7	R151 V152 R197 C229	R151-G199 WeakPolarHBondContact CG-O 3.29Å; R151-G199 PolarHBondContact NH1-O 3.06Å; V152-G199 WeakPolarHBondContact O-CA 3.41Å; V152-G199 PolarHBondContact O-N 3.27Å; R197-G199 PolarHBondContact O-N 3.42Å; G199-C229 WeakPolarHBondContact O-CB 3.35Å
200	D	98.6	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.			trans	-61.4	144.3	-179.8	-68.4	-17.2	0	0	0	111.9	R100 R151 V152 L196 R197 I202 L225 P228 C229	R100-D200 IonicContact CZ-OD1 3.3Å; R100-D200 IonicContact CZ-OD2 2.78Å; R100-D200 IonicContact NH2-OD1 2.87Å; R100-D200 PolarHBondContact NH2-OD1 3.27Å; R100-D200 IonicContact NH2-OD2 2.88Å; R100-D200 PolarHBondContact NH2-OD2 3.12Å; R151-D200 CarbonylContact C-O 3.52Å; R151-D200 WeakPolarHBondContact CA-O 3.49Å; V152-D200 PolarHBondContact N-O 3.44Å; L196-D200 WeakPolarHBondContact CA-OD2 3.46Å; L196-D200 HydrophobicContact CD2-CB 4.45Å; R197-D200 PolarHBondContact N-OD2 3.37Å; R197-D200 PolarHBondContact O-N 3.48Å; D200-I202 HydrophobicContact CB-CG2 4.15Å; D200-L225 HydrophobicContact CB-CD1 3.87Å; D200-P228 VanDerWaalsContact OD1-CA 3.31Å; D200-P228 WeakPolarHBondContact OD1-CA 3.15Å; D200-C229 PolarHBondContact OD1-N 3.41Å
201	I	98.8	Very high	97.4	Very high	42 Å²	42	24.2 Å²	24.2	22%	0.215	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.2	163.4	-53.9	-57.9	0	0	0	108	G150 R151 L226 S227	G150-I201 WeakPolarHBondContact O-CA 3.47Å; R151-I201 HydrophobicContact CB-CD1 3.63Å; R151-I201 HydrophobicContact CG-CD1 3.92Å; R151-I201 VanDerWaalsContact CZ-CD1 3.42Å; I201-L226 HydrophobicContact CB-CB 4.39Å; I201-L226 HydrophobicContact CG2-CB 4.01Å; I201-L226 HydrophobicContact CG2-CD1 4.2Å; I201-L226 PolarHBondContact O-N 3.41Å; I201-S227 PolarHBondContact N-O 3.38Å; I201-S227 PolarHBondContact O-N 3.12Å
202	I	98.8	Very high	97.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.3	-179.4	65.8	170.7	0	0	0	111.3	S149 G150 V152 L167 L196 D200 V204 I223 T224	S149-I202 VanDerWaalsContact CA-O 3.27Å; S149-I202 WeakPolarHBondContact CA-O 3.47Å; S149-I202 WeakPolarHBondContact CB-O 3.36Å; G150-I202 PolarHBondContact N-O 2.74Å; G150-I202 VanDerWaalsContact N-O 3.09Å; G150-I202 PolarHBondContact O-N 2.96Å; V152-I202 HydrophobicContact CG2-CD1 3.58Å; V152-I202 HydrophobicContact CG2-CG1 3.85Å; V152-I202 HydrophobicContact CG2-CG2 4Å; L167-I202 HydrophobicContact CD1-CD1 3.94Å; L167-I202 HydrophobicContact CD1-CG1 3.54Å; L196-I202 HydrophobicContact CD1-CG2 4.08Å; L196-I202 HydrophobicContact CD2-CG2 3.51Å; L196-I202 HydrophobicContact CG-CG2 4.42Å; D200-I202 HydrophobicContact CB-CG2 4.15Å; I202-V204 HydrophobicContact CD1-CG2 3.73Å; I202-V204 HydrophobicContact CG1-CG2 4.02Å; I202-I223 HydrophobicContact CB-CG2 4.02Å; I202-I223 HydrophobicContact CD1-CG2 3.87Å; I202-I223 HydrophobicContact CG1-CG2 4.46Å; I202-I223 HydrophobicContact CG2-CG2 4.37Å; I202-T224 CarbonylContact C-O 3.59Å; I202-T224 VanDerWaalsContact CA-O 3.3Å; I202-T224 WeakPolarHBondContact CA-O 3.31Å
203	G	98.7	Very high	97.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.2	164.6	0	0	0	0	0	108.9	V148 I223 T224	V148-G203 CarbonylContact O-C 3.48Å; V148-G203 WeakPolarHBondContact O-CA 3.41Å; G203-I223 CarbonylContact O-C 3.57Å; G203-I223 WeakPolarHBondContact O-CA 3.46Å; G203-T224 PolarHBondContact N-O 3.24Å; G203-T224 PolarHBondContact O-N 3.38Å
204	V	98.8	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115	-177.2	-173.7	0	0	0	0	108.9	Y119 A147 V148 L167 V176 I202 I218 P220 I223	Y119-V204 VanDerWaalsContact OH-C 3.22Å; Y119-V204 PolarHBondContact OH-N 3.45Å; Y119-V204 PolarHBondContact OH-O 2.84Å; A147-V204 WeakPolarHBondContact CA-O 3.4Å; V148-V204 HydrophobicContact CG2-CB 4.02Å; V148-V204 PolarHBondContact N-O 3.09Å; V148-V204 PolarHBondContact O-N 2.87Å; L167-V204 HydrophobicContact CD2-CG2 4.16Å; V176-V204 HydrophobicContact CG1-CG1 3.96Å; V176-V204 HydrophobicContact CG2-CG1 4.42Å; V176-V204 HydrophobicContact CG2-CG2 4.02Å; I202-V204 HydrophobicContact CD1-CG2 3.73Å; I202-V204 HydrophobicContact CG1-CG2 4.02Å; V204-I218 HydrophobicContact CG1-CD1 4.03Å; V204-I218 HydrophobicContact CG1-CG1 4.32Å; V204-I218 HydrophobicContact CG1-CG2 3.85Å; V204-P220 HydrophobicContact CG1-CB 3.82Å; V204-I223 HydrophobicContact CG1-CG1 4.32Å; V204-I223 HydrophobicContact CG2-CG1 4.38Å
205	R	98.6	Very high	97.4	Very high	111 Å²	111	41.7 Å²	41.7	42%	0.419	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.6	173.6	-174.5	173.1	174.6	-90.8	-2.2	109.4	Y119 V145 L146 I221 E222	Y119-R205 PolarHBondContact OH-N 3.23Å; V145-R205 HydrophobicContact CG1-CG 3.75Å; L146-R205 CarbonylContact O-C 3.59Å; L146-R205 VanDerWaalsContact O-CA 3.31Å; L146-R205 WeakPolarHBondContact O-CA 3.48Å; R205-I221 PolarHBondContact O-N 3.38Å; R205-E222 PolarHBondContact N-O 3.09Å; R205-E222 PolarHBondContact O-N 3.5Å; R205-E222 VanDerWaalsContact O-N 3.15Å
206	G	98.4	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	-174.7	-171.3	0	0	0	0	0	115.3	V145 L146 I219	V145-G206 WeakPolarHBondContact CA-O 3.33Å; L146-G206 PolarHBondContact N-O 2.73Å; L146-G206 PolarHBondContact O-N 2.86Å; G206-I219 CarbonylContact C-O 3.49Å; G206-I219 WeakPolarHBondContact CA-O 3.38Å
207	N	98.5	Very high	97.6	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.4	-178.3	-57.5	111.6	0	0	0	111.5	Q140 L141 S142 V144 I218 I219	Q140-N207 HydrophobicContact CG-CB 4.32Å; L141-N207 WeakPolarHBondContact O-CB 3.37Å; L141-N207 PolarHBondContact O-ND2 2.97Å; L141-N207 VanDerWaalsContact O-ND2 3.12Å; S142-N207 PolarHBondContact O-ND2 3.44Å; V144-N207 WeakPolarHBondContact O-CA 3.48Å; V144-N207 PolarHBondContact O-ND2 3.06Å; N207-I218 CarbonylContact O-C 3.42Å; N207-I218 WeakPolarHBondContact O-CA 3.39Å; N207-I219 PolarHBondContact N-O 3.16Å; N207-I219 WeakPolarHBondContact O-CD1 3.49Å; N207-I219 PolarHBondContact O-N 3.24Å
208	P	98.6	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	141.5	164.5	-18	30.8	0	0	0	111.7	F128 Y132 L135 L141 V144 L146	F128-P208 HydrophobicContact CE2-CB 4.34Å; F128-P208 HydrophobicContact CE2-CG 3.98Å; F128-P208 HydrophobicContact CZ-CB 3.78Å; F128-P208 HydrophobicContact CZ-CG 3.94Å; Y132-P208 HydrophobicContact CD1-CB 3.91Å; Y132-P208 HydrophobicContact CD1-CG 4.07Å; Y132-P208 HydrophobicContact CD2-CB 3.99Å; Y132-P208 HydrophobicContact CD2-CG 3.92Å; Y132-P208 HydrophobicContact CE1-CB 4.26Å; Y132-P208 HydrophobicContact CE1-CG 3.92Å; Y132-P208 HydrophobicContact CE2-CB 4.33Å; Y132-P208 HydrophobicContact CE2-CG 3.76Å; Y132-P208 HydrophobicContact CG-CB 3.78Å; Y132-P208 HydrophobicContact CG-CG 4.09Å; L135-P208 HydrophobicContact CD1-CB 4.23Å; L141-P208 HydrophobicContact CD1-CB 4.38Å; L141-P208 PolarHBondContact N-O 2.97Å; V144-P208 HydrophobicContact CB-CG 4.44Å; V144-P208 HydrophobicContact CG1-CG 4Å; V144-P208 WeakPolarHBondContact O-CD 3.24Å; L146-P208 HydrophobicContact CD1-CG 4.25Å
209	G	98.2	Very high	97.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	179.7	172.5	0	0	0	0	0	112.2	D139 S217	D139-G209 CarbonylContact O-C 3.53Å; D139-G209 WeakPolarHBondContact O-CA 3.33Å; G209-S217 PolarHBondContact N-O 2.86Å; G209-S217 PolarHBondContact O-N 3.21Å
210	K	98.1	Very high	97.9	Very high	24 Å²	24	35.6 Å²	35.6	10%	0.104	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.3	180	-168.2	172.1	-80	-175	0	109.6	N133 L135 G138 D139 G214 E215	N133-K210 PolarHBondContact O-NZ 2.84Å; L135-K210 HydrophobicContact CB-CB 4.39Å; L135-K210 VanDerWaalsContact O-CD 3.29Å; L135-K210 WeakPolarHBondContact O-CD 3.28Å; L135-K210 WeakPolarHBondContact O-CE 3.13Å; L135-K210 PolarHBondContact O-NZ 2.87Å; G138-K210 VanDerWaalsContact CA-O 3.3Å; G138-K210 WeakPolarHBondContact CA-O 3.33Å; G138-K210 PolarHBondContact N-O 3.23Å; D139-K210 PolarHBondContact O-N 3.38Å; K210-G214 VanDerWaalsContact CD-O 3.25Å; K210-G214 WeakPolarHBondContact CD-O 3.27Å; K210-G214 VanDerWaalsContact CG-C 3.44Å; K210-G214 VanDerWaalsContact CG-O 3.3Å; K210-G214 WeakPolarHBondContact CG-O 3.31Å; K210-E215 WeakPolarHBondContact CA-O 3.33Å
211	T	96.2	Very high	97.9	Very high	19 Å²	19	37.9 Å²	37.9	12%	0.117	18%	0.178	C	C	.	.			trans	-63.2	162.7	179.5	67.1	0	0	0	0	110.8	G138 M177 K213 G214 E215	G138-T211 PolarHBondContact N-O 3.33Å; M177-T211 HydrophobicContact SD-CG2 3.95Å; T211-K213 PolarHBondContact O-N 3.5Å; T211-K213 PolarHBondContact OG1-N 2.76Å; T211-G214 PolarHBondContact O-N 3.39Å; T211-E215 HydrophobicContact CG2-CB 4.47Å; T211-E215 PolarHBondContact N-O 2.72Å; T211-E215 PolarHBondContact OG1-N 3.21Å
212	K	94.9	Very high	97.8	Very high	198 Å²	198	39 Å²	39	86%	0.861	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-23	172.6	-66.1	-173.6	178.3	-175.9	0	113.4	G214	K212-G214 VanDerWaalsContact C-N 3.31Å
213	K	95.2	Very high	97.8	Very high	209 Å²	209	39.4 Å²	39.4	91%	0.909	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-0.2	176.3	-65.6	-171.5	177.1	-174.6	0	113.3	T211	T211-K213 PolarHBondContact O-N 3.5Å; T211-K213 PolarHBondContact OG1-N 2.76Å
214	G	95.4	Very high	97.8	Very high	29 Å²	29	41.6 Å²	41.6	30%	0.299	20%	0.197	S	C	.	.	S	Bend	trans	90	-0.3	177.3	0	0	0	0	0	115.7	K210 T211 K212 L216	K210-G214 VanDerWaalsContact CD-O 3.25Å; K210-G214 WeakPolarHBondContact CD-O 3.27Å; K210-G214 VanDerWaalsContact CG-C 3.44Å; K210-G214 VanDerWaalsContact CG-O 3.3Å; K210-G214 WeakPolarHBondContact CG-O 3.31Å; T211-G214 PolarHBondContact O-N 3.39Å; K212-G214 VanDerWaalsContact C-N 3.31Å; G214-L216 PolarHBondContact O-N 3.12Å
215	E	97.3	Very high	97.7	Very high	84 Å²	84	41.9 Å²	41.9	39%	0.393	20%	0.199	S	C	.	.			trans	-74.9	122.7	177.7	-166.8	79	177.5	0	0	110.3	K173 Q175 K210 T211 S217	K173-E215 IonicContact NZ-OE1 2.63Å; K173-E215 PolarHBondContact NZ-OE1 3.09Å; Q175-E215 HydrophobicContact CB-CG 4.11Å; Q175-E215 VanDerWaalsContact OE1-CB 3.28Å; K210-E215 WeakPolarHBondContact CA-O 3.33Å; T211-E215 HydrophobicContact CG2-CB 4.47Å; T211-E215 PolarHBondContact N-O 2.72Å; T211-E215 PolarHBondContact OG1-N 3.21Å; E215-S217 PolarHBondContact O-OG 3.3Å
216	L	98.5	Very high	97.7	Very high	17 Å²	17	37.9 Å²	37.9	9%	0.089	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	132.8	176	-178.2	68.3	0	0	0	110	F128 I129 Y132 N133 L135 L174 Q175 G214	F128-L216 HydrophobicContact CD1-CD2 4.41Å; F128-L216 HydrophobicContact CE1-CD2 4.45Å; F128-L216 HydrophobicContact CE1-CG 4.45Å; I129-L216 HydrophobicContact CB-CD2 4.35Å; I129-L216 HydrophobicContact CG1-CD2 4.2Å; I129-L216 HydrophobicContact CG2-CD2 4.4Å; Y132-L216 WeakPolarHBondContact O-CD1 3.43Å; N133-L216 HydrophobicContact CB-CD2 4.5Å; L135-L216 HydrophobicContact CD1-CD1 4.43Å; L174-L216 HydrophobicContact CD1-CD2 4.33Å; L174-L216 HydrophobicContact CD1-CG 4.17Å; Q175-L216 WeakPolarHBondContact CB-O 3.43Å; G214-L216 PolarHBondContact O-N 3.12Å
217	S	98.6	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157.1	-173.8	-66.6	0	0	0	0	112.8	Q175 G209 E215	Q175-S217 CarbonylContact O-C 3.57Å; Q175-S217 WeakPolarHBondContact O-CA 3.37Å; Q175-S217 PolarHBondContact OE1-OG 3.28Å; G209-S217 PolarHBondContact N-O 2.86Å; G209-S217 PolarHBondContact O-N 3.21Å; E215-S217 PolarHBondContact O-OG 3.3Å
218	I	98.7	Very high	97.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.4	155.9	-171.4	171	0	0	0	109.2	F128 V148 L174 Q175 V176 M177 V204 N207	F128-I218 HydrophobicContact CE2-CD1 4.28Å; F128-I218 HydrophobicContact CZ-CB 4.07Å; F128-I218 HydrophobicContact CZ-CG1 4.42Å; V148-I218 HydrophobicContact CG1-CD1 4.5Å; V148-I218 HydrophobicContact CG2-CD1 3.72Å; V148-I218 HydrophobicContact CG2-CG2 4.42Å; L174-I218 HydrophobicContact CD2-CB 4.28Å; L174-I218 HydrophobicContact CD2-CG2 4.01Å; L174-I218 HydrophobicContact CG-CG2 4.45Å; Q175-I218 PolarHBondContact O-N 2.98Å; V176-I218 WeakPolarHBondContact CA-O 3.39Å; V176-I218 HydrophobicContact CB-CG2 4.27Å; V176-I218 HydrophobicContact CG1-CG2 4.31Å; V176-I218 HydrophobicContact CG2-CG2 3.86Å; M177-I218 PolarHBondContact N-O 3.33Å; V204-I218 HydrophobicContact CG1-CD1 4.03Å; V204-I218 HydrophobicContact CG1-CG1 4.32Å; V204-I218 HydrophobicContact CG1-CG2 3.85Å; N207-I218 CarbonylContact O-C 3.42Å; N207-I218 WeakPolarHBondContact O-CA 3.39Å
219	I	98.6	Very high	97.7	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	107.1	177.3	-60.3	83.9	0	0	0	107.4	Q140 M177 N182 G206 N207	Q140-I219 HydrophobicContact CG-CD1 4.24Å; M177-I219 HydrophobicContact CE-CD1 4.26Å; M177-I219 HydrophobicContact CE-CG1 3.56Å; N182-I219 HydrophobicContact CB-CG2 3.63Å; G206-I219 CarbonylContact C-O 3.49Å; G206-I219 WeakPolarHBondContact CA-O 3.38Å; N207-I219 PolarHBondContact N-O 3.16Å; N207-I219 WeakPolarHBondContact O-CD1 3.49Å; N207-I219 PolarHBondContact O-N 3.24Å
220	P	98.4	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135	-170.1	31.3	-33.5	0	0	0	112.2	V176 M177 A178 Y183 V204 I223	V176-P220 HydrophobicContact CG1-CB 4.33Å; V176-P220 HydrophobicContact CG1-CG 3.85Å; M177-P220 WeakPolarHBondContact O-CD 3.43Å; A178-P220 HydrophobicContact CB-CG 3.74Å; Y183-P220 HydrophobicContact CD2-CB 4.39Å; Y183-P220 HydrophobicContact CD2-CG 4.3Å; Y183-P220 WeakPolarHBondContact CD2-O 3.32Å; Y183-P220 HydrophobicContact CE2-CB 4.21Å; Y183-P220 HydrophobicContact CE2-CG 4.38Å; V204-P220 HydrophobicContact CG1-CB 3.82Å; P220-I223 HydrophobicContact CB-CD1 4.13Å; P220-I223 HydrophobicContact CB-CG1 3.76Å; P220-I223 HydrophobicContact CG-CD1 4.03Å; P220-I223 HydrophobicContact CG-CG1 4.23Å
221	I	98.2	Very high	97.6	Very high	48 Å²	48	47 Å²	47	25%	0.246	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-36	161.1	-59.3	164.8	0	0	0	108.7	V145 K184 R205	V145-I221 HydrophobicContact CG1-CD1 3.95Å; V145-I221 HydrophobicContact CG2-CD1 3.87Å; K184-I221 PolarHBondContact N-O 3.13Å; R205-I221 PolarHBondContact O-N 3.38Å
222	E	97.8	Very high	97.5	Very high	65 Å²	65	49 Å²	49	30%	0.304	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	141.3	179.2	-179	165	-137	0	0	111.3	K184 R205	K184-E222 IonicContact NZ-OE1 2.98Å; K184-E222 PolarHBondContact NZ-OE1 2.72Å; R205-E222 PolarHBondContact N-O 3.09Å; R205-E222 PolarHBondContact O-N 3.5Å; R205-E222 VanDerWaalsContact O-N 3.15Å
223	I	98.5	Very high	97.4	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.2	169.3	-59.6	166.6	0	0	0	108	Y165 V176 A178 Y183 V192 L196 I202 G203 V204 P220	Y165-I223 HydrophobicContact CE2-CD1 4.22Å; V176-I223 HydrophobicContact CG1-CD1 4.26Å; A178-I223 HydrophobicContact CB-CD1 4.35Å; Y183-I223 HydrophobicContact CE2-CD1 4.33Å; Y183-I223 HydrophobicContact CE2-CG1 4.11Å; Y183-I223 PolarHBondContact OH-N 2.86Å; Y183-I223 PolarHBondContact OH-O 2.75Å; V192-I223 HydrophobicContact CG2-CB 4.06Å; V192-I223 HydrophobicContact CG2-CG2 4.24Å; L196-I223 HydrophobicContact CD1-CG2 3.64Å; I202-I223 HydrophobicContact CB-CG2 4.02Å; I202-I223 HydrophobicContact CD1-CG2 3.87Å; I202-I223 HydrophobicContact CG1-CG2 4.46Å; I202-I223 HydrophobicContact CG2-CG2 4.37Å; G203-I223 CarbonylContact O-C 3.57Å; G203-I223 WeakPolarHBondContact O-CA 3.46Å; V204-I223 HydrophobicContact CG1-CG1 4.32Å; V204-I223 HydrophobicContact CG2-CG1 4.38Å; P220-I223 HydrophobicContact CB-CD1 4.13Å; P220-I223 HydrophobicContact CB-CG1 3.76Å; P220-I223 HydrophobicContact CG-CD1 4.03Å; P220-I223 HydrophobicContact CG-CG1 4.23Å
224	T	97.8	Very high	97.1	Very high	46 Å²	46	32.4 Å²	32.4	28%	0.282	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.8	178.6	-48.4	0	0	0	0	109.1	I202 G203 L226	I202-T224 CarbonylContact C-O 3.59Å; I202-T224 VanDerWaalsContact CA-O 3.3Å; I202-T224 WeakPolarHBondContact CA-O 3.31Å; G203-T224 PolarHBondContact N-O 3.24Å; G203-T224 PolarHBondContact O-N 3.38Å; T224-L226 HydrophobicContact CG2-CD2 4.05Å; T224-L226 PolarHBondContact O-N 3.26Å
225	L	98.3	Very high	96.4	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.8	168.3	175.8	63.8	0	0	0	108.5	I104 P114 P116 K195 L196 D200 P228	I104-L225 HydrophobicContact CD1-CD2 4.35Å; P114-L225 HydrophobicContact CB-CD2 4.08Å; P116-L225 WeakPolarHBondContact CD-O 3.44Å; K195-L225 HydrophobicContact CD-CD2 4.23Å; K195-L225 HydrophobicContact CG-CD2 4.25Å; L196-L225 HydrophobicContact CD2-CB 4.11Å; L196-L225 HydrophobicContact CD2-CD1 3.91Å; D200-L225 HydrophobicContact CB-CD1 3.87Å; L225-P228 HydrophobicContact CD1-CB 4.23Å; L225-P228 HydrophobicContact CD2-CB 4.22Å; L225-P228 HydrophobicContact CD2-CG 4.49Å
226	L	98.1	Very high	94.9	Very high	27 Å²	27	35 Å²	35	14%	0.141	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-36.6	-179.4	-53.7	-176.2	0	0	0	112.5	P116 Y119 I201 T224	P116-L226 WeakPolarHBondContact CD-O 3.38Å; P116-L226 HydrophobicContact CG-CD2 3.84Å; Y119-L226 HydrophobicContact CD1-CD1 4.14Å; Y119-L226 HydrophobicContact CD2-CD2 3.81Å; Y119-L226 HydrophobicContact CG-CD1 4.01Å; Y119-L226 HydrophobicContact CG-CD2 3.85Å; I201-L226 HydrophobicContact CB-CB 4.39Å; I201-L226 HydrophobicContact CG2-CB 4.01Å; I201-L226 HydrophobicContact CG2-CD1 4.2Å; I201-L226 PolarHBondContact O-N 3.41Å; T224-L226 HydrophobicContact CG2-CD2 4.05Å; T224-L226 PolarHBondContact O-N 3.26Å
227	S	98.5	Very high	93.4	Very high	49 Å²	49	41.3 Å²	41.3	34%	0.343	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	112.6	175.2	-170.2	0	0	0	0	109.7	I201	I201-S227 PolarHBondContact N-O 3.38Å; I201-S227 PolarHBondContact O-N 3.12Å
228	P	98.3	Very high	92	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.058	25%	0.247	C	C	.	.			trans	-71.7	143.1	-178.6	28.2	-35.4	0	0	0	112.3	I104 P114 Y115 D200 L225 L230	I104-P228 HydrophobicContact CB-CG 4.42Å; I104-P228 HydrophobicContact CD1-CB 3.49Å; I104-P228 VanDerWaalsContact CD1-CB 3.49Å; I104-P228 HydrophobicContact CD1-CG 3.67Å; I104-P228 HydrophobicContact CG1-CB 3.74Å; I104-P228 HydrophobicContact CG1-CG 3.71Å; I104-P228 HydrophobicContact CG2-CG 3.79Å; P114-P228 VanDerWaalsContact O-CD 3.31Å; P114-P228 WeakPolarHBondContact O-CD 3.37Å; Y115-P228 HydrophobicContact CE1-CG 4.07Å; Y115-P228 HydrophobicContact CE2-CG 4.23Å; Y115-P228 WeakPolarHBondContact OH-CG 3.49Å; D200-P228 VanDerWaalsContact OD1-CA 3.31Å; D200-P228 WeakPolarHBondContact OD1-CA 3.15Å; L225-P228 HydrophobicContact CD1-CB 4.23Å; L225-P228 HydrophobicContact CD2-CB 4.22Å; L225-P228 HydrophobicContact CD2-CG 4.49Å; P228-L230 HydrophobicContact CB-CD2 4.39Å; P228-L230 HydrophobicContact CG-CD2 4.35Å
229	C	98	Very high	91.1	Very high	18 Å²	18	50 Å²	50	12%	0.122	26%	0.259	C	S	.	.			trans	-86.4	118.5	167	-170.3	0	0	0	0	109.3	R100 G199 D200 H231	R100-C229 WeakPolarHBondContact CG-O 3.31Å; R100-C229 PolarHBondContact NE-O 2.86Å; G199-C229 WeakPolarHBondContact O-CB 3.35Å; D200-C229 PolarHBondContact OD1-N 3.41Å; C229-H231 PolarHBondContact SG-O 3.45Å
230	L	97.7	Very high	90.6	Very high	40 Å²	40	50.6 Å²	50.6	21%	0.209	26%	0.262	C	S	.	.			trans	-85.7	-21.7	-177.9	-55.2	-174.7	0	0	0	112.9	F97 R100 I104 P228	F97-L230 WeakPolarHBondContact CA-O 3.45Å; F97-L230 HydrophobicContact CD2-CB 3.88Å; F97-L230 HydrophobicContact CE2-CB 3.85Å; F97-L230 HydrophobicContact CE2-CD1 4.29Å; R100-L230 HydrophobicContact CG-CD2 4.08Å; I104-L230 HydrophobicContact CB-CD2 4.19Å; I104-L230 HydrophobicContact CG1-CD2 3.7Å; P228-L230 HydrophobicContact CB-CD2 4.39Å; P228-L230 HydrophobicContact CG-CD2 4.35Å
231	H	96.1	Very high	90.2	Very high	113 Å²	113	57.5 Å²	57.5	52%	0.523	29%	0.292	S	S	.	.	S	Bend	trans	-99.3	150.2	-179.1	-67.7	-81.7	0	0	0	111.5	F97 C229 L233	F97-H231 AromaticContact CD2-CE1 3.36Å; F97-H231 WeakPolarHBondContact CD2-CE1 3.46Å; F97-H231 AromaticContact CD2-ND1 3.67Å; F97-H231 AromaticContact CD2-NE2 3.67Å; F97-H231 AromaticContact CE2-CE1 3.62Å; F97-H231 AromaticContact CE2-NE2 3.57Å; C229-H231 PolarHBondContact SG-O 3.45Å; H231-L233 PolarHBondContact O-N 3.39Å
232	M	93.7	Very high	89.9	Confident	61 Å²	61	59.1 Å²	59.1	30%	0.3	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-70.8	120.1	169	-174.5	165.8	63.1	0	0	109	L91 P93 Y96	L91-M232 WeakPolarHBondContact O-CE 3.34Å; P93-M232 HydrophobicContact CB-CE 4.17Å; P93-M232 HydrophobicContact CG-CE 3.6Å; Y96-M232 HydrophobicContact CD1-CB 3.89Å; Y96-M232 HydrophobicContact CE1-CB 4.37Å; Y96-M232 HydrophobicContact CG-CB 4.02Å
233	L	93.1	Very high	89.7	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.052	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-71.9	137	175.4	-70	-178.8	0	0	0	110.4	R198 H231 L252 I255	R198-L233 HydrophobicContact CG-CD1 4.47Å; R198-L233 PolarHBondContact NH1-O 3.1Å; H231-L233 PolarHBondContact O-N 3.39Å; L233-L252 HydrophobicContact CD2-CD2 3.89Å; L233-I255 HydrophobicContact CD1-CG2 4.43Å
234	P	89.9	Confident	89.4	Confident	48 Å²	48	65.2 Å²	65.2	31%	0.312	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-48.7	144.8	173.1	-28	32.6	0	0	0	112.8	R198 L240 L256	R198-P234 PolarHBondContact NH1-O 2.87Å; R198-P234 PolarHBondContact NH2-O 3.28Å; P234-L240 HydrophobicContact CG-CD1 4.28Å; P234-L256 HydrophobicContact CB-CD1 3.96Å; P234-L256 HydrophobicContact CG-CD1 3.94Å
235	H	79.6	Confident	89.3	Confident	97 Å²	97	65.1 Å²	65.1	45%	0.449	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-65.6	144.7	-174.3	-148.9	-81	0	0	0	112.3	E89 H237	E89-H235 IonicContact OE2-NE2 3.29Å; H235-H237 VanDerWaalsContact C-N 3.33Å; H235-H237 AromaticContact CE1-CD2 3.29Å; H235-H237 PolarHBondContact CE1-CD2 3.34Å; H235-H237 AromaticContact CE1-NE2 3.48Å; H235-H237 PolarHBondContact CE1-NE2 3.35Å; H235-H237 AromaticContact ND1-CD2 3.15Å; H235-H237 PolarHBondContact ND1-CD2 3.3Å; H235-H237 AromaticContact ND1-CG 3.87Å; H235-H237 AromaticContact ND1-NE2 3.83Å; H235-H237 PolarHBondContact O-N 2.71Å
236	L	65.7	Low	89.2	Confident	70 Å²	70	65.2 Å²	65.2	37%	0.366	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-73.2	-17.6	-170.8	-68.3	169.3	0	0	0	114.8	F238 G239 L256	L236-F238 PolarHBondContact O-N 3.31Å; L236-G239 PolarHBondContact O-N 3.37Å; L236-L256 HydrophobicContact CD2-CD2 4.14Å
237	H	68.2	Low	89.1	Confident	150 Å²	150	64.4 Å²	64.4	69%	0.694	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-58.1	-29	-165.8	-80.6	-57.3	0	0	0	114	H235	H235-H237 VanDerWaalsContact C-N 3.33Å; H235-H237 AromaticContact CE1-CD2 3.29Å; H235-H237 PolarHBondContact CE1-CD2 3.34Å; H235-H237 AromaticContact CE1-NE2 3.48Å; H235-H237 PolarHBondContact CE1-NE2 3.35Å; H235-H237 AromaticContact ND1-CD2 3.15Å; H235-H237 PolarHBondContact ND1-CD2 3.3Å; H235-H237 AromaticContact ND1-CG 3.87Å; H235-H237 AromaticContact ND1-NE2 3.83Å; H235-H237 PolarHBondContact O-N 2.71Å
238	F	68.4	Low	89	Confident	158 Å²	158	65.5 Å²	65.5	69%	0.693	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-130	5.8	-179.3	-59.1	-66.9	0	0	0	114.2	L236 K241	L236-F238 PolarHBondContact O-N 3.31Å; F238-K241 HydrophobicContact CB-CD 4.28Å; F238-K241 VanDerWaalsContact O-CE 3.27Å; F238-K241 WeakPolarHBondContact O-CE 3.38Å; F238-K241 WeakPolarHBondContact O-CG 3.49Å
239	G	80.1	Confident	89	Confident	25 Å²	25	68.4 Å²	68.4	26%	0.258	33%	0.332	S	S	.	.			trans	64.5	-173.8	-169.1	0	0	0	0	0	113.1	L236 K241	L236-G239 PolarHBondContact O-N 3.37Å; G239-K241 PolarHBondContact O-N 3Å
240	L	88.8	Confident	89	Confident	14 Å²	14	67.6 Å²	67.6	7%	0.073	33%	0.326	C	S	.	.			trans	-86.5	108.2	171.3	-175.9	65.9	0	0	0	108.4	P234 T245 R246 L252 L256 N257	P234-L240 HydrophobicContact CG-CD1 4.28Å; L240-T245 HydrophobicContact CD1-CG2 4Å; L240-T245 HydrophobicContact CD2-CG2 4.1Å; L240-R246 HydrophobicContact CB-CG 4.39Å; L240-R246 HydrophobicContact CD2-CG 3.74Å; L240-R246 HydrophobicContact CG-CG 3.73Å; L240-R246 VanDerWaalsContact O-CD 3.27Å; L240-R246 WeakPolarHBondContact O-CD 3.48Å; L240-L252 HydrophobicContact CD2-CB 4.11Å; L240-L256 HydrophobicContact CB-CB 4.33Å; L240-L256 HydrophobicContact CB-CD1 3.94Å; L240-N257 PolarHBondContact O-ND2 3.34Å
241	K	89.3	Confident	88.9	Confident	145 Å²	145	71.8 Å²	71.8	63%	0.63	34%	0.34	S	S	*	.			trans	-98.1	-33.3	-176.1	-70.7	-173.8	169.2	-179.1	0	114.2	F238 G239 K243	F238-K241 HydrophobicContact CB-CD 4.28Å; F238-K241 VanDerWaalsContact O-CE 3.27Å; F238-K241 WeakPolarHBondContact O-CE 3.38Å; F238-K241 WeakPolarHBondContact O-CG 3.49Å; G239-K241 PolarHBondContact O-N 3Å; K241-K243 PolarHBondContact O-N 3.49Å; K241-K243 VanDerWaalsContact O-N 3.08Å
242	D	92.9	Very high	88.9	Confident	82 Å²	82	67.6 Å²	67.6	44%	0.439	32%	0.321	S	S	.	.			trans	-60.8	113.1	-176.5	175.2	54.3	0	0	0	111	E244 T245 R246	D242-E244 VanDerWaalsContact C-N 3.27Å; D242-E244 PolarHBondContact O-N 2.95Å; D242-T245 PolarHBondContact O-N 2.9Å; D242-T245 VanDerWaalsContact OD2-CB 3.23Å; D242-T245 WeakPolarHBondContact OD2-CB 3.14Å; D242-T245 PolarHBondContact OD2-N 3.22Å; D242-T245 PolarHBondContact OD2-OG1 3.04Å; D242-R246 VanDerWaalsContact O-CG 3.23Å; D242-R246 WeakPolarHBondContact O-CG 3.4Å; D242-R246 PolarHBondContact O-N 3.11Å
243	K	92.6	Very high	89.1	Confident	110 Å²	110	64.7 Å²	64.7	48%	0.478	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-36.9	-173.4	-70.2	-177.4	-179.8	178.7	0	111.4	K241 R246 F247	K241-K243 PolarHBondContact O-N 3.49Å; K241-K243 VanDerWaalsContact O-N 3.08Å; K243-R246 PolarHBondContact O-N 3.15Å; K243-F247 HydrophobicContact CB-CD2 4.38Å; K243-F247 HydrophobicContact CB-CE2 3.88Å; K243-F247 HydrophobicContact CB-CZ 4.25Å; K243-F247 WeakPolarHBondContact O-CB 3.37Å; K243-F247 WeakPolarHBondContact O-CD2 3.4Å; K243-F247 WeakPolarHBondContact O-CG 3.5Å; K243-F247 PolarHBondContact O-N 3.06Å
244	E	93.4	Very high	89.3	Confident	91 Å²	91	66.6 Å²	66.6	43%	0.425	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-50	-179.6	-178.2	159.6	-158.7	0	0	111.6	D242 R246 F247 R248 M593	D242-E244 VanDerWaalsContact C-N 3.27Å; D242-E244 PolarHBondContact O-N 2.95Å; E244-R246 VanDerWaalsContact C-N 3.34Å; E244-R246 PolarHBondContact O-N 2.93Å; E244-F247 PolarHBondContact O-N 3.02Å; E244-R248 HydrophobicContact CG-CG 4.5Å; E244-R248 WeakPolarHBondContact O-CB 3.27Å; E244-R248 WeakPolarHBondContact O-CG 3.46Å; E244-R248 PolarHBondContact O-N 2.99Å; E244-R248 IonicContact OE1-CZ 3.95Å; E244-R248 VanDerWaalsContact OE1-CZ 3.3Å; E244-R248 IonicContact OE1-NE 2.77Å; E244-R248 PolarHBondContact OE1-NE 3.21Å; E244-R248 IonicContact OE1-NH2 3.81Å; E244-R248 PolarHBondContact OE1-NH2 3.47Å; E244-M593 HydrophobicContact CG-CE 4.41Å
245	T	94.1	Very high	89.5	Confident	43 Å²	43	65.8 Å²	65.8	26%	0.264	31%	0.31	S	S	.	.	H	α-helix	trans	-60.4	-43.5	175.1	-56	0	0	0	0	111.4	L240 D242 F247 R248 Q249	L240-T245 HydrophobicContact CD1-CG2 4Å; L240-T245 HydrophobicContact CD2-CG2 4.1Å; D242-T245 PolarHBondContact O-N 2.9Å; D242-T245 VanDerWaalsContact OD2-CB 3.23Å; D242-T245 WeakPolarHBondContact OD2-CB 3.14Å; D242-T245 PolarHBondContact OD2-N 3.22Å; D242-T245 PolarHBondContact OD2-OG1 3.04Å; T245-F247 VanDerWaalsContact C-N 3.35Å; T245-F247 PolarHBondContact O-N 3.39Å; T245-R248 PolarHBondContact O-N 2.89Å; T245-Q249 WeakPolarHBondContact O-CA 3.49Å; T245-Q249 WeakPolarHBondContact O-CB 3.11Å; T245-Q249 PolarHBondContact O-N 2.89Å
246	R	96.6	Very high	90.2	Very high	10 Å²	10	62.1 Å²	62.1	4%	0.038	29%	0.293	C	S	.	.	H	α-helix	trans	-58.8	-45.1	178.5	-70.9	172.1	68.4	-137.6	-11.5	112.3	L240 D242 K243 E244 Q249 R250 D253 Y259 E586	L240-R246 HydrophobicContact CB-CG 4.39Å; L240-R246 HydrophobicContact CD2-CG 3.74Å; L240-R246 HydrophobicContact CG-CG 3.73Å; L240-R246 VanDerWaalsContact O-CD 3.27Å; L240-R246 WeakPolarHBondContact O-CD 3.48Å; D242-R246 VanDerWaalsContact O-CG 3.23Å; D242-R246 WeakPolarHBondContact O-CG 3.4Å; D242-R246 PolarHBondContact O-N 3.11Å; K243-R246 PolarHBondContact O-N 3.15Å; E244-R246 VanDerWaalsContact C-N 3.34Å; E244-R246 PolarHBondContact O-N 2.93Å; R246-Q249 CarbonylContact O-C 3.56Å; R246-R250 WeakPolarHBondContact O-CA 3.34Å; R246-R250 PolarHBondContact O-N 3.07Å; R246-D253 HydrophobicContact CB-CB 4.09Å; R246-D253 HydrophobicContact CG-CB 4.24Å; R246-D253 WeakPolarHBondContact CG-OD1 3.33Å; R246-D253 IonicContact CZ-OD1 3.29Å; R246-D253 IonicContact CZ-OD2 2.77Å; R246-D253 IonicContact NE-OD1 3.67Å; R246-D253 PolarHBondContact NE-OD1 3.46Å; R246-D253 IonicContact NE-OD2 3.77Å; R246-D253 PolarHBondContact NE-OD2 3.37Å; R246-D253 IonicContact NH2-OD1 2.64Å; R246-D253 IonicContact NH2-OD2 3.8Å; R246-D253 PolarHBondContact NH2-OD2 3Å; R246-Y259 PolarHBondContact NH2-OH 2.96Å; R246-E586 IonicContact CZ-OE1 3.66Å; R246-E586 IonicContact CZ-OE2 3.49Å; R246-E586 IonicContact NH1-OE1 3.61Å; R246-E586 PolarHBondContact NH1-OE1 3.04Å; R246-E586 IonicContact NH1-OE2 2.68Å; R246-E586 IonicContact NH2-OE1 3.83Å; R246-E586 PolarHBondContact NH2-OE1 3.31Å; R246-E586 VanDerWaalsContact NH2-OE1 3.11Å; R246-E586 IonicContact NH2-OE2 3.19Å; R246-E586 PolarHBondContact NH2-OE2 3.45Å
247	F	96.7	Very high	91.6	Very high	9 Å²	9	59.5 Å²	59.5	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-76.1	-35.9	-176.8	-61.1	-24.1	0	0	0	112.7	K243 E244 T245 K585 E586 P591 M593	K243-F247 HydrophobicContact CB-CD2 4.38Å; K243-F247 HydrophobicContact CB-CE2 3.88Å; K243-F247 HydrophobicContact CB-CZ 4.25Å; K243-F247 WeakPolarHBondContact O-CB 3.37Å; K243-F247 WeakPolarHBondContact O-CD2 3.4Å; K243-F247 WeakPolarHBondContact O-CG 3.5Å; K243-F247 PolarHBondContact O-N 3.06Å; E244-F247 PolarHBondContact O-N 3.02Å; T245-F247 VanDerWaalsContact C-N 3.35Å; T245-F247 PolarHBondContact O-N 3.39Å; F247-K585 HydrophobicContact CD1-CB 4.18Å; F247-K585 HydrophobicContact CD2-CB 3.82Å; F247-K585 HydrophobicContact CD2-CD 3.71Å; F247-K585 HydrophobicContact CD2-CG 4.39Å; F247-K585 HydrophobicContact CE1-CB 3.9Å; F247-K585 WeakPolarHBondContact CE1-O 3.23Å; F247-K585 HydrophobicContact CE2-CB 3.51Å; F247-K585 HydrophobicContact CE2-CD 3.81Å; F247-K585 HydrophobicContact CE2-CG 4.27Å; F247-K585 HydrophobicContact CG-CB 4.15Å; F247-K585 HydrophobicContact CZ-CB 3.56Å; F247-E586 VanDerWaalsContact CE1-OE1 3.29Å; F247-E586 WeakPolarHBondContact CE1-OE1 3.45Å; F247-E586 WeakPolarHBondContact CZ-OE1 3.49Å; F247-P591 HydrophobicContact CB-CG 3.83Å; F247-P591 HydrophobicContact CD1-CG 4.46Å; F247-P591 HydrophobicContact CG-CG 4.11Å; F247-M593 HydrophobicContact CB-CE 4.18Å; F247-M593 HydrophobicContact CB-SD 3.94Å; F247-M593 HydrophobicContact CD2-CE 4.36Å; F247-M593 HydrophobicContact CD2-SD 4.26Å
248	R	96.3	Very high	92.7	Very high	73 Å²	73	55.5 Å²	55.5	28%	0.275	26%	0.264	S	S	.	.	H	α-helix	trans	-75.8	-36.5	176	-67.4	-179.3	-172.2	-73.8	-1.1	112.8	E244 T245 M593 K594 D596	E244-R248 HydrophobicContact CG-CG 4.5Å; E244-R248 WeakPolarHBondContact O-CB 3.27Å; E244-R248 WeakPolarHBondContact O-CG 3.46Å; E244-R248 PolarHBondContact O-N 2.99Å; E244-R248 IonicContact OE1-CZ 3.95Å; E244-R248 VanDerWaalsContact OE1-CZ 3.3Å; E244-R248 IonicContact OE1-NE 2.77Å; E244-R248 PolarHBondContact OE1-NE 3.21Å; E244-R248 IonicContact OE1-NH2 3.81Å; E244-R248 PolarHBondContact OE1-NH2 3.47Å; T245-R248 PolarHBondContact O-N 2.89Å; R248-M593 HydrophobicContact CG-CE 4.49Å; R248-M593 HydrophobicContact CG-CG 4.4Å; R248-K594 VanDerWaalsContact CZ-O 3.27Å; R248-K594 PolarHBondContact NH1-O 3.39Å; R248-K594 PolarHBondContact NH2-O 3.15Å; R248-D596 IonicContact CZ-OD1 2.83Å; R248-D596 IonicContact NE-OD1 3.72Å; R248-D596 PolarHBondContact NE-OD1 3.01Å; R248-D596 VanDerWaalsContact NE-OD1 3.11Å; R248-D596 IonicContact NH1-OD1 3.73Å; R248-D596 PolarHBondContact NH1-OD1 3.23Å; R248-D596 IonicContact NH2-OD1 2.91Å; R248-D596 PolarHBondContact NH2-OD1 3.25Å; R248-D596 VanDerWaalsContact NH2-OD1 3.09Å
249	Q	96.9	Very high	94	Very high	69 Å²	69	53 Å²	53	32%	0.322	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	59.8	-178.7	-57.8	-173.8	-71.1	0	0	110.5	T245 R246 Y251 L252 D253	T245-Q249 WeakPolarHBondContact O-CA 3.49Å; T245-Q249 WeakPolarHBondContact O-CB 3.11Å; T245-Q249 PolarHBondContact O-N 2.89Å; R246-Q249 CarbonylContact O-C 3.56Å; Q249-Y251 HydrophobicContact CB-CE1 4.08Å; Q249-Y251 HydrophobicContact CB-CE2 4.16Å; Q249-Y251 HydrophobicContact CG-CE1 4.43Å; Q249-Y251 PolarHBondContact NE2-OH 2.83Å; Q249-Y251 PolarHBondContact O-N 3.36Å; Q249-L252 HydrophobicContact CB-CB 4.29Å; Q249-L252 HydrophobicContact CB-CD1 4.07Å; Q249-L252 HydrophobicContact CB-CG 4.16Å; Q249-L252 WeakPolarHBondContact O-CB 3.32Å; Q249-L252 PolarHBondContact O-N 3.43Å; Q249-D253 PolarHBondContact O-N 3.33Å
250	R	98.1	Very high	94.8	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-51.5	-32.4	-178	-177.2	61.6	66.7	-175.5	11.3	113.7	R246 L252 D253 L254 K585 L588 L589 F590	R246-R250 WeakPolarHBondContact O-CA 3.34Å; R246-R250 PolarHBondContact O-N 3.07Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-L252 PolarHBondContact O-N 3.14Å; R250-D253 IonicContact CZ-OD2 3.73Å; R250-D253 IonicContact NH1-OD2 2.81Å; R250-D253 PolarHBondContact NH1-OD2 3.49Å; R250-D253 WeakPolarHBondContact O-CB 3.5Å; R250-D253 PolarHBondContact O-N 3.05Å; R250-L254 HydrophobicContact CG-CD1 4.06Å; R250-L254 HydrophobicContact CG-CG 4.29Å; R250-L254 WeakPolarHBondContact O-CB 3.33Å; R250-L254 WeakPolarHBondContact O-CG 3.41Å; R250-L254 PolarHBondContact O-N 3.3Å; R250-K585 PolarHBondContact NH2-O 3.23Å; R250-L588 PolarHBondContact NH2-O 3.48Å; R250-L589 VanDerWaalsContact CB-O 3.32Å; R250-L589 WeakPolarHBondContact CB-O 3.47Å; R250-L589 HydrophobicContact CG-CD2 4.36Å; R250-L589 WeakPolarHBondContact CG-O 3.49Å; R250-L589 PolarHBondContact NE-O 3.45Å; R250-F590 HydrophobicContact CB-CD1 4.13Å; R250-F590 HydrophobicContact CB-CE1 3.76Å; R250-F590 HydrophobicContact CB-CZ 4.37Å
251	Y	97.2	Very high	95.2	Very high	129 Å²	129	55.4 Å²	55.4	51%	0.506	25%	0.251	S	S	.	.	H	α-helix	trans	-61.9	-35.7	175.4	52.9	-93.4	0	0	0	113	Q249 I255	Q249-Y251 HydrophobicContact CB-CE1 4.08Å; Q249-Y251 HydrophobicContact CB-CE2 4.16Å; Q249-Y251 HydrophobicContact CG-CE1 4.43Å; Q249-Y251 PolarHBondContact NE2-OH 2.83Å; Q249-Y251 PolarHBondContact O-N 3.36Å; Y251-I255 VanDerWaalsContact O-CD1 3.31Å; Y251-I255 WeakPolarHBondContact O-CD1 3.41Å; Y251-I255 WeakPolarHBondContact O-CG1 3.46Å; Y251-I255 PolarHBondContact O-N 2.76Å; Y251-I255 VanDerWaalsContact O-N 3.16Å
252	L	96.4	Very high	95.5	Very high	25 Å²	25	53.4 Å²	53.4	13%	0.131	24%	0.243	C	C	.	.	H	α-helix	trans	-71.5	-40	173.4	-68.5	-176.1	0	0	0	111.5	L233 L240 Q249 R250 L254 I255 L256	L233-L252 HydrophobicContact CD2-CD2 3.89Å; L240-L252 HydrophobicContact CD2-CB 4.11Å; Q249-L252 HydrophobicContact CB-CB 4.29Å; Q249-L252 HydrophobicContact CB-CD1 4.07Å; Q249-L252 HydrophobicContact CB-CG 4.16Å; Q249-L252 WeakPolarHBondContact O-CB 3.32Å; Q249-L252 PolarHBondContact O-N 3.43Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-L252 PolarHBondContact O-N 3.14Å; L252-L254 VanDerWaalsContact C-N 3.34Å; L252-L254 PolarHBondContact O-N 2.87Å; L252-I255 HydrophobicContact CD2-CD1 4.39Å; L252-I255 WeakPolarHBondContact O-CB 3.41Å; L252-I255 PolarHBondContact O-N 3.36Å; L252-I255 VanDerWaalsContact O-N 3.13Å; L252-L256 PolarHBondContact O-N 2.93Å
253	D	96.6	Very high	95.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-46	175.8	-165.4	31.2	0	0	0	110.8	R246 Q249 R250 I255 L256 N257 V260	R246-D253 HydrophobicContact CB-CB 4.09Å; R246-D253 HydrophobicContact CG-CB 4.24Å; R246-D253 WeakPolarHBondContact CG-OD1 3.33Å; R246-D253 IonicContact CZ-OD1 3.29Å; R246-D253 IonicContact CZ-OD2 2.77Å; R246-D253 IonicContact NE-OD1 3.67Å; R246-D253 PolarHBondContact NE-OD1 3.46Å; R246-D253 IonicContact NE-OD2 3.77Å; R246-D253 PolarHBondContact NE-OD2 3.37Å; R246-D253 IonicContact NH2-OD1 2.64Å; R246-D253 IonicContact NH2-OD2 3.8Å; R246-D253 PolarHBondContact NH2-OD2 3Å; Q249-D253 PolarHBondContact O-N 3.33Å; R250-D253 IonicContact CZ-OD2 3.73Å; R250-D253 IonicContact NH1-OD2 2.81Å; R250-D253 PolarHBondContact NH1-OD2 3.49Å; R250-D253 WeakPolarHBondContact O-CB 3.5Å; R250-D253 PolarHBondContact O-N 3.05Å; D253-I255 VanDerWaalsContact C-N 3.28Å; D253-I255 PolarHBondContact O-N 2.8Å; D253-L256 PolarHBondContact O-N 2.94Å; D253-N257 WeakPolarHBondContact O-CA 3.24Å; D253-N257 WeakPolarHBondContact O-CB 3.19Å; D253-N257 PolarHBondContact O-N 3.44Å; D253-N257 PolarHBondContact OD1-ND2 2.97Å; D253-V260 WeakPolarHBondContact OD2-CG2 3.48Å
254	L	96.7	Very high	96.1	Very high	50 Å²	50	46.9 Å²	46.9	26%	0.262	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-25.8	174.8	-73.7	169.3	0	0	0	114.2	R250 L252 V260 R261	R250-L254 HydrophobicContact CG-CD1 4.06Å; R250-L254 HydrophobicContact CG-CG 4.29Å; R250-L254 WeakPolarHBondContact O-CB 3.33Å; R250-L254 WeakPolarHBondContact O-CG 3.41Å; R250-L254 PolarHBondContact O-N 3.3Å; L252-L254 VanDerWaalsContact C-N 3.34Å; L252-L254 PolarHBondContact O-N 2.87Å; L254-V260 HydrophobicContact CD2-CB 4.38Å; L254-V260 HydrophobicContact CD2-CG1 3.85Å; L254-V260 HydrophobicContact CG-CG1 4.4Å; L254-R261 HydrophobicContact CD2-CB 4.42Å
255	I	95.6	Very high	96.3	Very high	31 Å²	31	46.4 Å²	46.4	16%	0.159	21%	0.211	C	C	.	.	H	α-helix	trans	-75.2	-43.6	175.3	-74.2	164.2	0	0	0	110.1	H153 L233 Y251 L252 D253	H153-I255 PolarHBondContact CE1-O 2.86Å; H153-I255 PolarHBondContact NE2-O 3.05Å; L233-I255 HydrophobicContact CD1-CG2 4.43Å; Y251-I255 VanDerWaalsContact O-CD1 3.31Å; Y251-I255 WeakPolarHBondContact O-CD1 3.41Å; Y251-I255 WeakPolarHBondContact O-CG1 3.46Å; Y251-I255 PolarHBondContact O-N 2.76Å; Y251-I255 VanDerWaalsContact O-N 3.16Å; L252-I255 HydrophobicContact CD2-CD1 4.39Å; L252-I255 WeakPolarHBondContact O-CB 3.41Å; L252-I255 PolarHBondContact O-N 3.36Å; L252-I255 VanDerWaalsContact O-N 3.13Å; D253-I255 VanDerWaalsContact C-N 3.28Å; D253-I255 PolarHBondContact O-N 2.8Å
256	L	94.5	Very high	96.5	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.099	21%	0.205	C	C	.	.	H	α-helix	trans	-99.4	-19.7	-166.4	-63.8	172.8	0	0	0	114.2	P234 L236 L240 L252 D253	P234-L256 HydrophobicContact CB-CD1 3.96Å; P234-L256 HydrophobicContact CG-CD1 3.94Å; L236-L256 HydrophobicContact CD2-CD2 4.14Å; L240-L256 HydrophobicContact CB-CB 4.33Å; L240-L256 HydrophobicContact CB-CD1 3.94Å; L252-L256 PolarHBondContact O-N 2.93Å; D253-L256 PolarHBondContact O-N 2.94Å
257	N	94.3	Very high	96.6	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.08	21%	0.209	C	C	.	.			trans	-125.9	95	-174	-67.6	-38.1	0	0	0	111.1	L240 D253 Y259 V260	L240-N257 PolarHBondContact O-ND2 3.34Å; D253-N257 WeakPolarHBondContact O-CA 3.24Å; D253-N257 WeakPolarHBondContact O-CB 3.19Å; D253-N257 PolarHBondContact O-N 3.44Å; D253-N257 PolarHBondContact OD1-ND2 2.97Å; N257-Y259 HydrophobicContact CB-CD1 4.03Å; N257-Y259 HydrophobicContact CB-CE1 3.52Å; N257-Y259 PolarHBondContact O-N 3.32Å; N257-V260 HydrophobicContact CB-CG2 3.7Å; N257-V260 WeakPolarHBondContact O-CB 3.4Å; N257-V260 PolarHBondContact O-N 3.47Å; N257-V260 VanDerWaalsContact O-N 3.09Å
258	D	92.3	Very high	96.7	Very high	67 Å²	67	48.3 Å²	48.3	36%	0.358	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-30.6	-175.8	-70.7	-39.5	0	0	0	113.6	R168 V260 R261	R168-D258 IonicContact NH1-OD2 3.62Å; D258-V260 PolarHBondContact O-N 3.22Å; D258-R261 WeakPolarHBondContact O-CB 3.47Å; D258-R261 PolarHBondContact O-N 3.46Å
259	Y	94.6	Very high	96.8	Very high	105 Å²	105	50 Å²	50	41%	0.412	24%	0.236	S	C	.	.	H	α-helix	trans	-62.7	-28.3	178.5	67.9	-96.4	0	0	0	112.7	R246 N257 R261 Q262 K263	R246-Y259 PolarHBondContact NH2-OH 2.96Å; N257-Y259 HydrophobicContact CB-CD1 4.03Å; N257-Y259 HydrophobicContact CB-CE1 3.52Å; N257-Y259 PolarHBondContact O-N 3.32Å; Y259-R261 VanDerWaalsContact C-N 3.33Å; Y259-R261 PolarHBondContact O-N 2.97Å; Y259-Q262 WeakPolarHBondContact O-CB 3.34Å; Y259-Q262 PolarHBondContact O-N 2.71Å; Y259-Q262 VanDerWaalsContact O-N 3.12Å; Y259-K263 PolarHBondContact O-N 3.36Å; Y259-K263 VanDerWaalsContact O-N 3.12Å
260	V	97.1	Very high	96.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-41.3	-179.9	177.9	0	0	0	0	110.3	D253 L254 N257 D258 Q262 K263 F264	D253-V260 WeakPolarHBondContact OD2-CG2 3.48Å; L254-V260 HydrophobicContact CD2-CB 4.38Å; L254-V260 HydrophobicContact CD2-CG1 3.85Å; L254-V260 HydrophobicContact CG-CG1 4.4Å; N257-V260 HydrophobicContact CB-CG2 3.7Å; N257-V260 WeakPolarHBondContact O-CB 3.4Å; N257-V260 PolarHBondContact O-N 3.47Å; N257-V260 VanDerWaalsContact O-N 3.09Å; D258-V260 PolarHBondContact O-N 3.22Å; V260-Q262 VanDerWaalsContact C-N 3.29Å; V260-Q262 PolarHBondContact O-N 2.94Å; V260-K263 PolarHBondContact O-N 3Å; V260-F264 HydrophobicContact CG1-CD2 4.07Å; V260-F264 HydrophobicContact CG1-CE2 3.63Å; V260-F264 WeakPolarHBondContact O-CD2 3.49Å; V260-F264 PolarHBondContact O-N 3.13Å
261	R	96.6	Very high	97	Very high	90 Å²	90	48.1 Å²	48.1	34%	0.34	23%	0.228	S	C	.	.	H	α-helix	trans	-57.3	-44.4	173.3	179.8	-173.2	-63.9	-87.8	-4	111	L254 D258 Y259 K263 F264 L265	L254-R261 HydrophobicContact CD2-CB 4.42Å; D258-R261 WeakPolarHBondContact O-CB 3.47Å; D258-R261 PolarHBondContact O-N 3.46Å; Y259-R261 VanDerWaalsContact C-N 3.33Å; Y259-R261 PolarHBondContact O-N 2.97Å; R261-K263 VanDerWaalsContact C-N 3.34Å; R261-K263 PolarHBondContact O-N 2.89Å; R261-F264 PolarHBondContact O-N 3.49Å; R261-L265 HydrophobicContact CG-CD1 4.11Å; R261-L265 HydrophobicContact CG-CG 4.38Å; R261-L265 WeakPolarHBondContact O-CG 3.41Å; R261-L265 PolarHBondContact O-N 3.08Å
262	Q	96.8	Very high	97	Very high	102 Å²	102	46.4 Å²	46.4	48%	0.477	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-38.4	-178.7	-60.2	-55.7	-35	0	0	112	Y259 V260 F264 L265 T266	Y259-Q262 WeakPolarHBondContact O-CB 3.34Å; Y259-Q262 PolarHBondContact O-N 2.71Å; Y259-Q262 VanDerWaalsContact O-N 3.12Å; V260-Q262 VanDerWaalsContact C-N 3.29Å; V260-Q262 PolarHBondContact O-N 2.94Å; Q262-F264 VanDerWaalsContact C-N 3.32Å; Q262-F264 PolarHBondContact O-N 3.41Å; Q262-L265 PolarHBondContact O-N 3.39Å; Q262-T266 PolarHBondContact O-N 3.21Å; Q262-T266 PolarHBondContact O-OG1 3.14Å
263	K	98.4	Very high	97.1	Very high	27 Å²	27	47.5 Å²	47.5	12%	0.117	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-45.5	174.5	-60.5	-166.2	175.7	-176	0	112.1	Y259 V260 R261 T266 R267 T579 S581 E586	Y259-K263 PolarHBondContact O-N 3.36Å; Y259-K263 VanDerWaalsContact O-N 3.12Å; V260-K263 PolarHBondContact O-N 3Å; R261-K263 VanDerWaalsContact C-N 3.34Å; R261-K263 PolarHBondContact O-N 2.89Å; K263-T266 WeakPolarHBondContact O-CB 3.4Å; K263-T266 PolarHBondContact O-N 3.44Å; K263-R267 PolarHBondContact O-N 2.91Å; K263-T579 HydrophobicContact CB-CG2 4.1Å; K263-T579 HydrophobicContact CG-CG2 4.31Å; K263-S581 WeakPolarHBondContact CE-OG 3.16Å; K263-S581 PolarHBondContact NZ-OG 3.06Å; K263-E586 HydrophobicContact CD-CB 4.34Å; K263-E586 IonicContact NZ-OE2 2.74Å; K263-E586 PolarHBondContact NZ-OE2 3.08Å
264	F	98.5	Very high	97.2	Very high	29 Å²	29	47.5 Å²	47.5	13%	0.127	23%	0.234	C	C	.	.	H	α-helix	trans	-73.9	-30.6	179.6	-67.3	-66.4	0	0	0	113.5	V260 R261 Q262 R267 A268 V587 L589	V260-F264 HydrophobicContact CG1-CD2 4.07Å; V260-F264 HydrophobicContact CG1-CE2 3.63Å; V260-F264 WeakPolarHBondContact O-CD2 3.49Å; V260-F264 PolarHBondContact O-N 3.13Å; R261-F264 PolarHBondContact O-N 3.49Å; Q262-F264 VanDerWaalsContact C-N 3.32Å; Q262-F264 PolarHBondContact O-N 3.41Å; F264-R267 WeakPolarHBondContact O-CB 3.47Å; F264-R267 PolarHBondContact O-N 3.4Å; F264-A268 PolarHBondContact O-N 2.91Å; F264-V587 WeakPolarHBondContact CE1-O 3.46Å; F264-L589 HydrophobicContact CD1-CD2 3.81Å; F264-L589 HydrophobicContact CD1-CG 3.79Å; F264-L589 HydrophobicContact CD2-CD2 3.7Å; F264-L589 HydrophobicContact CE1-CB 4.26Å; F264-L589 HydrophobicContact CE1-CD2 3.77Å; F264-L589 HydrophobicContact CE1-CG 3.61Å; F264-L589 HydrophobicContact CE2-CD2 3.66Å; F264-L589 HydrophobicContact CE2-CG 4.41Å; F264-L589 HydrophobicContact CG-CD2 3.8Å; F264-L589 HydrophobicContact CG-CG 4.28Å; F264-L589 HydrophobicContact CZ-CB 4.4Å; F264-L589 HydrophobicContact CZ-CD2 3.71Å; F264-L589 HydrophobicContact CZ-CG 3.96Å
265	L	98.1	Very high	97.3	Very high	81 Å²	81	49.1 Å²	49.1	42%	0.424	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-41.8	169.5	-69.4	176	0	0	0	111.1	R261 Q262 A268 K269	R261-L265 HydrophobicContact CG-CD1 4.11Å; R261-L265 HydrophobicContact CG-CG 4.38Å; R261-L265 WeakPolarHBondContact O-CG 3.41Å; R261-L265 PolarHBondContact O-N 3.08Å; Q262-L265 PolarHBondContact O-N 3.39Å; L265-A268 PolarHBondContact O-N 3.23Å; L265-K269 WeakPolarHBondContact O-CG 3.3Å; L265-K269 PolarHBondContact O-N 3.09Å
266	T	98.6	Very high	97.5	Very high	23 Å²	23	50.3 Å²	50.3	14%	0.141	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-45	172.9	-64	0	0	0	0	111.4	Q262 K263 A268 K269 I270 I385 L578 T579	Q262-T266 PolarHBondContact O-N 3.21Å; Q262-T266 PolarHBondContact O-OG1 3.14Å; K263-T266 WeakPolarHBondContact O-CB 3.4Å; K263-T266 PolarHBondContact O-N 3.44Å; T266-A268 VanDerWaalsContact C-N 3.31Å; T266-A268 PolarHBondContact O-N 3.39Å; T266-K269 WeakPolarHBondContact O-CB 3.44Å; T266-K269 PolarHBondContact O-N 3.11Å; T266-K269 VanDerWaalsContact O-N 3.13Å; T266-I270 HydrophobicContact CG2-CD1 4.23Å; T266-I270 WeakPolarHBondContact O-CG1 3.34Å; T266-I270 PolarHBondContact O-N 2.85Å; T266-I385 HydrophobicContact CG2-CG2 3.98Å; T266-L578 HydrophobicContact CG2-CB 4.18Å; T266-T579 HydrophobicContact CG2-CG2 3.68Å
267	R	98.8	Very high	97.7	Very high	29 Å²	29	50.4 Å²	50.4	11%	0.109	25%	0.247	C	C	.	.	H	α-helix	trans	-54.3	-46.9	173.3	-171.1	-175.3	175.8	88.2	-4	112.2	K263 F264 K269 I270 I271 T356 D572 T575 V587	K263-R267 PolarHBondContact O-N 2.91Å; F264-R267 WeakPolarHBondContact O-CB 3.47Å; F264-R267 PolarHBondContact O-N 3.4Å; R267-K269 VanDerWaalsContact C-N 3.33Å; R267-K269 PolarHBondContact O-N 2.87Å; R267-I270 WeakPolarHBondContact O-CB 3.4Å; R267-I270 PolarHBondContact O-N 2.83Å; R267-I271 HydrophobicContact CG-CD1 4.39Å; R267-I271 PolarHBondContact O-N 2.91Å; R267-T356 PolarHBondContact NH2-OG1 3.21Å; R267-T356 VanDerWaalsContact NH2-OG1 3.16Å; R267-D572 IonicContact CZ-OD1 2.71Å; R267-D572 IonicContact NH1-OD1 3.5Å; R267-D572 PolarHBondContact NH1-OD1 3.25Å; R267-D572 IonicContact NH2-OD1 3.79Å; R267-D572 PolarHBondContact NH2-OD1 3.12Å; R267-D572 IonicContact NH2-OD2 2.72Å; R267-T575 HydrophobicContact CB-CG2 3.7Å; R267-T575 HydrophobicContact CG-CG2 4.04Å; R267-V587 PolarHBondContact NH1-O 2.64Å
268	A	98.8	Very high	97.9	Very high	50 Å²	50	49.7 Å²	49.7	41%	0.413	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-38.9	178.6	0	0	0	0	0	112.2	F264 L265 T266 I271 T272	F264-A268 PolarHBondContact O-N 2.91Å; L265-A268 PolarHBondContact O-N 3.23Å; T266-A268 VanDerWaalsContact C-N 3.31Å; T266-A268 PolarHBondContact O-N 3.39Å; A268-I271 PolarHBondContact O-N 2.69Å; A268-T272 WeakPolarHBondContact O-CB 3.47Å; A268-T272 PolarHBondContact O-N 3.38Å; A268-T272 PolarHBondContact O-OG1 3.49Å
269	K	98.8	Very high	98.2	Very high	109 Å²	109	50.3 Å²	50.3	47%	0.474	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-41.7	174.7	-71.9	174.9	179.6	-178.4	0	112.4	L265 T266 R267 T272 Y273 I385	L265-K269 WeakPolarHBondContact O-CG 3.3Å; L265-K269 PolarHBondContact O-N 3.09Å; T266-K269 WeakPolarHBondContact O-CB 3.44Å; T266-K269 PolarHBondContact O-N 3.11Å; T266-K269 VanDerWaalsContact O-N 3.13Å; R267-K269 VanDerWaalsContact C-N 3.33Å; R267-K269 PolarHBondContact O-N 2.87Å; K269-T272 PolarHBondContact O-N 3.35Å; K269-Y273 WeakPolarHBondContact O-CB 3.18Å; K269-Y273 PolarHBondContact O-N 3.25Å; K269-I385 HydrophobicContact CB-CD1 4.07Å; K269-I385 HydrophobicContact CB-CG1 4.23Å
270	I	98.8	Very high	98.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56.1	-52.8	175.6	-70.1	166	0	0	0	110.3	T266 R267 T272 Y273 L274 M381 I385 I571 L574 T575 L578	T266-I270 HydrophobicContact CG2-CD1 4.23Å; T266-I270 WeakPolarHBondContact O-CG1 3.34Å; T266-I270 PolarHBondContact O-N 2.85Å; R267-I270 WeakPolarHBondContact O-CB 3.4Å; R267-I270 PolarHBondContact O-N 2.83Å; I270-T272 VanDerWaalsContact C-N 3.35Å; I270-T272 PolarHBondContact O-N 2.89Å; I270-Y273 PolarHBondContact O-N 3.31Å; I270-L274 HydrophobicContact CG2-CD1 4.04Å; I270-L274 PolarHBondContact O-N 3Å; I270-M381 HydrophobicContact CB-SD 4.19Å; I270-M381 HydrophobicContact CG1-SD 4.07Å; I270-M381 HydrophobicContact CG2-CE 4.38Å; I270-M381 HydrophobicContact CG2-SD 3.81Å; I270-I385 HydrophobicContact CB-CD1 4.45Å; I270-I385 HydrophobicContact CG1-CD1 3.63Å; I270-I571 HydrophobicContact CG2-CG2 4.25Å; I270-L574 HydrophobicContact CD1-CG 4.45Å; I270-L574 HydrophobicContact CG2-CD2 3.92Å; I270-T575 HydrophobicContact CD1-CG2 4.29Å; I270-L578 HydrophobicContact CD1-CB 4.43Å; I270-L578 HydrophobicContact CD1-CD1 3.88Å; I270-L578 HydrophobicContact CG1-CD1 4.02Å
271	I	98.9	Very high	98.5	Very high	30 Å²	30	54.5 Å²	54.5	15%	0.154	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-42.9	-179.1	-66	169.1	0	0	0	111	R267 A268 Y273 L274 R275 I338 I571	R267-I271 HydrophobicContact CG-CD1 4.39Å; R267-I271 PolarHBondContact O-N 2.91Å; A268-I271 PolarHBondContact O-N 2.69Å; I271-Y273 VanDerWaalsContact C-N 3.35Å; I271-Y273 PolarHBondContact O-N 3.44Å; I271-L274 PolarHBondContact O-N 3.24Å; I271-R275 VanDerWaalsContact CG2-NH1 3.27Å; I271-R275 PolarHBondContact O-N 3.41Å; I271-R275 VanDerWaalsContact O-N 3.14Å; I271-I338 HydrophobicContact CG2-CD1 4.11Å; I271-I338 HydrophobicContact CG2-CG2 4.35Å; I271-I571 HydrophobicContact CD1-CG2 4.28Å; I271-I571 HydrophobicContact CG1-CG2 3.9Å
272	T	98.8	Very high	98.6	Very high	92 Å²	92	52.8 Å²	52.8	56%	0.564	28%	0.281	S	S	*	.	H	α-helix	trans	-64.1	-41	179	-55.1	0	0	0	0	111.7	A268 K269 I270 S276	A268-T272 WeakPolarHBondContact O-CB 3.47Å; A268-T272 PolarHBondContact O-N 3.38Å; A268-T272 PolarHBondContact O-OG1 3.49Å; K269-T272 PolarHBondContact O-N 3.35Å; I270-T272 VanDerWaalsContact C-N 3.35Å; I270-T272 PolarHBondContact O-N 2.89Å; T272-S276 PolarHBondContact O-N 3.14Å
273	Y	98.8	Very high	98.7	Very high	49 Å²	49	48.5 Å²	48.5	19%	0.192	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-43.6	177.1	-172	-80.3	0	0	0	111.4	K269 I270 I271 S276 F277 L377 G380 M381 H384	K269-Y273 WeakPolarHBondContact O-CB 3.18Å; K269-Y273 PolarHBondContact O-N 3.25Å; I270-Y273 PolarHBondContact O-N 3.31Å; I271-Y273 VanDerWaalsContact C-N 3.35Å; I271-Y273 PolarHBondContact O-N 3.44Å; Y273-S276 PolarHBondContact O-N 3.27Å; Y273-F277 HydrophobicContact CD1-CB 4.5Å; Y273-F277 HydrophobicContact CE1-CB 4.34Å; Y273-F277 HydrophobicContact CE1-CD2 4.31Å; Y273-F277 WeakPolarHBondContact O-CB 3.3Å; Y273-F277 PolarHBondContact O-N 3.11Å; Y273-L377 HydrophobicContact CD1-CD1 4.17Å; Y273-L377 HydrophobicContact CE1-CD1 4.01Å; Y273-G380 WeakPolarHBondContact OH-CA 3.49Å; Y273-M381 HydrophobicContact CD1-CB 3.59Å; Y273-M381 HydrophobicContact CD1-CE 3.81Å; Y273-M381 HydrophobicContact CD1-CG 3.74Å; Y273-M381 HydrophobicContact CE1-CB 3.59Å; Y273-M381 HydrophobicContact CE1-CG 4.25Å; Y273-M381 HydrophobicContact CG-CB 4.14Å; Y273-M381 HydrophobicContact CG-CG 3.91Å; Y273-M381 PolarHBondContact OH-N 2.82Å; Y273-H384 HydrophobicContact CD2-CB 4.06Å; Y273-H384 AromaticContact CD2-CD2 3.71Å; Y273-H384 AromaticContact CD2-CG 3.89Å; Y273-H384 HydrophobicContact CE2-CB 3.71Å; Y273-H384 AromaticContact CE2-CG 3.87Å
274	L	98.6	Very high	98.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.9	-52	176.4	-80.5	159.3	0	0	0	112	I270 I271 F277 L278 I338 C358 L377 M381 M569 I571	I270-L274 HydrophobicContact CG2-CD1 4.04Å; I270-L274 PolarHBondContact O-N 3Å; I271-L274 PolarHBondContact O-N 3.24Å; L274-F277 PolarHBondContact O-N 2.75Å; L274-L278 WeakPolarHBondContact O-CG 3.29Å; L274-L278 PolarHBondContact O-N 3.43Å; L274-I338 HydrophobicContact CB-CD1 4.01Å; L274-C358 HydrophobicContact CD1-CB 4.41Å; L274-L377 HydrophobicContact CD2-CD1 3.89Å; L274-L377 HydrophobicContact CD2-CD2 3.79Å; L274-L377 HydrophobicContact CD2-CG 4.3Å; L274-M381 HydrophobicContact CD1-CE 4.25Å; L274-M381 HydrophobicContact CD2-CE 3.86Å; L274-M381 HydrophobicContact CG-CE 3.6Å; L274-M569 HydrophobicContact CD1-CE 3.54Å; L274-M569 HydrophobicContact CD2-CE 3.63Å; L274-M569 HydrophobicContact CG-CE 4.11Å; L274-I571 HydrophobicContact CD1-CD1 3.38Å
275	R	98.8	Very high	98.7	Very high	84 Å²	84	54 Å²	54	32%	0.317	29%	0.289	S	S	.	.	H	α-helix	trans	-55.2	-55.5	176.4	-70	-164.9	174.5	102	4.9	111.1	I271 F277 L278 D279 E285 Y336 I338	I271-R275 VanDerWaalsContact CG2-NH1 3.27Å; I271-R275 PolarHBondContact O-N 3.41Å; I271-R275 VanDerWaalsContact O-N 3.14Å; R275-F277 PolarHBondContact O-N 2.86Å; R275-F277 VanDerWaalsContact O-N 3.15Å; R275-L278 PolarHBondContact O-N 3.37Å; R275-L278 VanDerWaalsContact O-N 3.16Å; R275-D279 VanDerWaalsContact O-CB 3.29Å; R275-D279 WeakPolarHBondContact O-CB 3.38Å; R275-D279 PolarHBondContact O-N 3.02Å; R275-E285 IonicContact CZ-OE1 3.93Å; R275-E285 IonicContact NE-OE1 2.7Å; R275-E285 PolarHBondContact NE-OE1 2.9Å; R275-E285 IonicContact NE-OE2 2.73Å; R275-E285 PolarHBondContact NE-OE2 3.39Å; R275-E285 IonicContact NH2-OE1 3.77Å; R275-E285 PolarHBondContact NH2-OE1 3.31Å; R275-E285 VanDerWaalsContact NH2-OE1 3.15Å; R275-Y336 WeakPolarHBondContact CA-OH 3.45Å; R275-Y336 HydrophobicContact CG-CE2 4.14Å; R275-I338 HydrophobicContact CG-CD1 3.71Å
276	S	98.8	Very high	98.8	Very high	55 Å²	55	51.2 Å²	51.2	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-58	-35.3	-178.6	-177.7	0	0	0	0	113.1	T272 Y273 Q280	T272-S276 PolarHBondContact O-N 3.14Å; Y273-S276 PolarHBondContact O-N 3.27Å; S276-Q280 WeakPolarHBondContact O-CB 3.45Å; S276-Q280 VanDerWaalsContact O-CD 3.28Å; S276-Q280 WeakPolarHBondContact O-CG 3.37Å; S276-Q280 PolarHBondContact O-N 2.99Å; S276-Q280 PolarHBondContact OG-NE2 2.91Å
277	F	98.9	Very high	98.8	Very high	22 Å²	22	59 Å²	59	10%	0.096	31%	0.309	C	S	.	.	H	α-helix	trans	-69.6	-48	178.9	-178.7	-86.9	0	0	0	111.5	Y273 L274 R275 Q280 M281 I373 R376 L377	Y273-F277 HydrophobicContact CD1-CB 4.5Å; Y273-F277 HydrophobicContact CE1-CB 4.34Å; Y273-F277 HydrophobicContact CE1-CD2 4.31Å; Y273-F277 WeakPolarHBondContact O-CB 3.3Å; Y273-F277 PolarHBondContact O-N 3.11Å; L274-F277 PolarHBondContact O-N 2.75Å; R275-F277 PolarHBondContact O-N 2.86Å; R275-F277 VanDerWaalsContact O-N 3.15Å; F277-Q280 PolarHBondContact O-N 3.34Å; F277-M281 HydrophobicContact CD1-SD 3.97Å; F277-M281 HydrophobicContact CE1-SD 3.34Å; F277-M281 WeakPolarHBondContact CE1-SD 3.18Å; F277-M281 HydrophobicContact CZ-SD 3.8Å; F277-M281 WeakPolarHBondContact O-CG 3.13Å; F277-M281 PolarHBondContact O-N 3.37Å; F277-I373 HydrophobicContact CE1-CG2 4Å; F277-I373 HydrophobicContact CZ-CG2 4.41Å; F277-R376 HydrophobicContact CZ-CB 4.41Å; F277-L377 HydrophobicContact CB-CD1 3.95Å; F277-L377 HydrophobicContact CD1-CB 4.31Å; F277-L377 HydrophobicContact CD1-CD1 3.68Å; F277-L377 HydrophobicContact CD1-CG 4.4Å; F277-L377 HydrophobicContact CD2-CD1 4.08Å; F277-L377 HydrophobicContact CE1-CB 3.87Å; F277-L377 HydrophobicContact CE1-CD1 4.14Å; F277-L377 HydrophobicContact CE1-CG 4.42Å; F277-L377 HydrophobicContact CE2-CB 4.23Å; F277-L377 HydrophobicContact CG-CD1 3.64Å; F277-L377 HydrophobicContact CZ-CB 3.82Å
278	L	98.9	Very high	98.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70.7	-40.1	-179.4	-66.1	173.1	0	0	0	111.9	L274 R275 Q280 M281 G282 F283 Y336 F360	L274-L278 WeakPolarHBondContact O-CG 3.29Å; L274-L278 PolarHBondContact O-N 3.43Å; R275-L278 PolarHBondContact O-N 3.37Å; R275-L278 VanDerWaalsContact O-N 3.16Å; L278-Q280 VanDerWaalsContact C-N 3.31Å; L278-Q280 PolarHBondContact O-N 2.7Å; L278-M281 CarbonylContact O-C 3.53Å; L278-M281 WeakPolarHBondContact O-CA 3.36Å; L278-M281 WeakPolarHBondContact O-CB 3.38Å; L278-M281 PolarHBondContact O-N 2.88Å; L278-G282 PolarHBondContact O-N 2.98Å; L278-F283 HydrophobicContact CB-CB 4.14Å; L278-F283 HydrophobicContact CB-CD2 4.31Å; L278-F283 HydrophobicContact CB-CG 4.29Å; L278-F283 HydrophobicContact CD2-CD2 4.09Å; L278-F283 HydrophobicContact CD2-CE2 4.12Å; L278-F283 HydrophobicContact CD2-CG 4.35Å; L278-F283 HydrophobicContact CD2-CZ 4.44Å; L278-F283 WeakPolarHBondContact O-CD2 3.33Å; L278-F283 PolarHBondContact O-N 2.97Å; L278-F283 VanDerWaalsContact O-N 3.09Å; L278-Y336 HydrophobicContact CB-CD1 4.11Å; L278-Y336 HydrophobicContact CB-CE1 4.09Å; L278-Y336 HydrophobicContact CB-CG 4.31Å; L278-Y336 HydrophobicContact CD1-CD1 4.31Å; L278-Y336 HydrophobicContact CD1-CD2 3.61Å; L278-Y336 HydrophobicContact CD1-CE2 4.16Å; L278-Y336 HydrophobicContact CD1-CG 3.67Å; L278-F360 HydrophobicContact CD1-CB 4.45Å; L278-F360 HydrophobicContact CD1-CD1 4.27Å; L278-F360 HydrophobicContact CD2-CD1 3.9Å; L278-F360 HydrophobicContact CD2-CE1 4.24Å; L278-F360 HydrophobicContact CD2-CG 4.17Å
279	D	98.8	Very high	98.8	Very high	79 Å²	79	59 Å²	59	42%	0.422	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-42.4	175	-64.9	-17	0	0	0	111	R275 M281 G282 Y336	R275-D279 VanDerWaalsContact O-CB 3.29Å; R275-D279 WeakPolarHBondContact O-CB 3.38Å; R275-D279 PolarHBondContact O-N 3.02Å; D279-M281 PolarHBondContact O-N 3.38Å; D279-G282 PolarHBondContact O-N 3.06Å; D279-Y336 VanDerWaalsContact OD1-CE1 3.32Å; D279-Y336 WeakPolarHBondContact OD1-CE1 3.23Å; D279-Y336 PolarHBondContact OD1-OH 2.78Å
280	Q	98.7	Very high	98.8	Very high	156 Å²	156	57.3 Å²	57.3	73%	0.729	30%	0.303	S	S	*	.	H	α-helix	trans	-66.8	-24.4	175.8	-76.2	171.3	17.7	0	0	113	S276 F277 L278 G282	S276-Q280 WeakPolarHBondContact O-CB 3.45Å; S276-Q280 VanDerWaalsContact O-CD 3.28Å; S276-Q280 WeakPolarHBondContact O-CG 3.37Å; S276-Q280 PolarHBondContact O-N 2.99Å; S276-Q280 PolarHBondContact OG-NE2 2.91Å; F277-Q280 PolarHBondContact O-N 3.34Å; L278-Q280 VanDerWaalsContact C-N 3.31Å; L278-Q280 PolarHBondContact O-N 2.7Å; Q280-G282 VanDerWaalsContact C-N 3.26Å
281	M	98.5	Very high	98.8	Very high	37 Å²	37	62.1 Å²	62.1	18%	0.182	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	3.1	171.8	-69.8	-176	65.2	0	0	112.9	F277 L278 D279 F283 R334 I373	F277-M281 HydrophobicContact CD1-SD 3.97Å; F277-M281 HydrophobicContact CE1-SD 3.34Å; F277-M281 WeakPolarHBondContact CE1-SD 3.18Å; F277-M281 HydrophobicContact CZ-SD 3.8Å; F277-M281 WeakPolarHBondContact O-CG 3.13Å; F277-M281 PolarHBondContact O-N 3.37Å; L278-M281 CarbonylContact O-C 3.53Å; L278-M281 WeakPolarHBondContact O-CA 3.36Å; L278-M281 WeakPolarHBondContact O-CB 3.38Å; L278-M281 PolarHBondContact O-N 2.88Å; D279-M281 PolarHBondContact O-N 3.38Å; M281-F283 HydrophobicContact CB-CD2 3.75Å; M281-F283 HydrophobicContact CB-CE2 3.85Å; M281-F283 HydrophobicContact CE-CE2 4.24Å; M281-R334 PolarHBondContact O-NH1 3.17Å; M281-I373 HydrophobicContact CE-CD1 3.84Å; M281-I373 HydrophobicContact CE-CG1 4Å; M281-I373 HydrophobicContact CE-CG2 4.42Å; M281-I373 HydrophobicContact SD-CG2 4.45Å
282	G	98.7	Very high	98.6	Very high	55 Å²	55	61 Å²	61	57%	0.567	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	23.4	177.2	0	0	0	0	0	114.1	L278 D279 Q280	L278-G282 PolarHBondContact O-N 2.98Å; D279-G282 PolarHBondContact O-N 3.06Å; Q280-G282 VanDerWaalsContact C-N 3.26Å
283	F	98.9	Very high	98.5	Very high	11 Å²	11	62.1 Å²	62.1	5%	0.048	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-74.8	148.6	169.1	-73	-106.5	0	0	0	110.8	L278 M281 R334 Y336 F360 Y361 M362	L278-F283 HydrophobicContact CB-CB 4.14Å; L278-F283 HydrophobicContact CB-CD2 4.31Å; L278-F283 HydrophobicContact CB-CG 4.29Å; L278-F283 HydrophobicContact CD2-CD2 4.09Å; L278-F283 HydrophobicContact CD2-CE2 4.12Å; L278-F283 HydrophobicContact CD2-CG 4.35Å; L278-F283 HydrophobicContact CD2-CZ 4.44Å; L278-F283 WeakPolarHBondContact O-CD2 3.33Å; L278-F283 PolarHBondContact O-N 2.97Å; L278-F283 VanDerWaalsContact O-N 3.09Å; M281-F283 HydrophobicContact CB-CD2 3.75Å; M281-F283 HydrophobicContact CB-CE2 3.85Å; M281-F283 HydrophobicContact CE-CE2 4.24Å; F283-R334 HydrophobicContact CB-CB 4.25Å; F283-R334 HydrophobicContact CD1-CB 3.64Å; F283-R334 HydrophobicContact CD1-CG 4.45Å; F283-R334 HydrophobicContact CD2-CB 4.2Å; F283-R334 HydrophobicContact CE1-CB 3.93Å; F283-R334 HydrophobicContact CE1-CG 4.3Å; F283-R334 HydrophobicContact CE2-CB 4.48Å; F283-R334 HydrophobicContact CE2-CG 4.47Å; F283-R334 HydrophobicContact CG-CB 3.77Å; F283-R334 HydrophobicContact CZ-CB 4.36Å; F283-R334 HydrophobicContact CZ-CG 4.33Å; F283-Y336 HydrophobicContact CB-CD1 3.63Å; F283-Y336 HydrophobicContact CB-CE1 4.18Å; F283-F360 HydrophobicContact CD1-CB 4.06Å; F283-F360 HydrophobicContact CD1-CD2 4.5Å; F283-F360 HydrophobicContact CE1-CB 3.83Å; F283-F360 AromaticContact CE1-CD2 3.5Å; F283-F360 HydrophobicContact CE1-CD2 3.5Å; F283-F360 VanDerWaalsContact CE1-CD2 3.5Å; F283-F360 HydrophobicContact CE1-CE2 4.37Å; F283-F360 AromaticContact CE1-CG 3.96Å; F283-F360 HydrophobicContact CE1-CG 3.96Å; F283-F360 AromaticContact CZ-CD2 3.68Å; F283-F360 HydrophobicContact CZ-CD2 3.68Å; F283-F360 HydrophobicContact CZ-CE2 4.11Å; F283-F360 HydrophobicContact CZ-CG 4.37Å; F283-Y361 WeakPolarHBondContact CE1-O 3.44Å; F283-M362 HydrophobicContact CE1-CB 4.14Å; F283-M362 HydrophobicContact CE2-SD 4.38Å; F283-M362 HydrophobicContact CZ-CB 3.9Å; F283-M362 HydrophobicContact CZ-CG 4.06Å; F283-M362 HydrophobicContact CZ-SD 3.9Å
284	L	98.9	Very high	98.3	Very high	88 Å²	88	62.7 Å²	62.7	46%	0.461	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.3	171.6	-178.8	65.1	0	0	0	110	I286 L332 R334 V335 Y336	L284-I286 HydrophobicContact CD2-CG2 4.03Å; L284-I286 HydrophobicContact CG-CG2 3.97Å; L284-I286 PolarHBondContact O-N 3.08Å; L284-L332 HydrophobicContact CD2-CD1 4.16Å; L284-L332 HydrophobicContact CD2-CD2 4.45Å; L284-R334 PolarHBondContact N-O 2.92Å; L284-V335 WeakPolarHBondContact O-CA 3.43Å; L284-Y336 PolarHBondContact O-N 3.37Å
285	E	98.9	Very high	98.1	Very high	85 Å²	85	62.9 Å²	62.9	40%	0.397	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	127.8	168.1	-163.8	172.7	-165	0	0	108.9	R275 Y336	R275-E285 IonicContact CZ-OE1 3.93Å; R275-E285 IonicContact NE-OE1 2.7Å; R275-E285 PolarHBondContact NE-OE1 2.9Å; R275-E285 IonicContact NE-OE2 2.73Å; R275-E285 PolarHBondContact NE-OE2 3.39Å; R275-E285 IonicContact NH2-OE1 3.77Å; R275-E285 PolarHBondContact NH2-OE1 3.31Å; R275-E285 VanDerWaalsContact NH2-OE1 3.15Å; E285-Y336 WeakPolarHBondContact CA-O 3.36Å; E285-Y336 HydrophobicContact CB-CD1 4.23Å; E285-Y336 HydrophobicContact CB-CE1 3.59Å; E285-Y336 HydrophobicContact CB-CE2 4.16Å; E285-Y336 HydrophobicContact CG-CD2 4.46Å; E285-Y336 HydrophobicContact CG-CE1 4.21Å; E285-Y336 HydrophobicContact CG-CE2 3.84Å
286	I	98.9	Very high	97.8	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.108	32%	0.319	C	S	.	.			trans	-128.9	165.9	-177.1	56.8	158.7	0	0	0	111.2	L284 T288 L327 V335 Y336 E337	L284-I286 HydrophobicContact CD2-CG2 4.03Å; L284-I286 HydrophobicContact CG-CG2 3.97Å; L284-I286 PolarHBondContact O-N 3.08Å; I286-T288 HydrophobicContact CD1-CG2 3.8Å; I286-L327 HydrophobicContact CD1-CD1 3.25Å; I286-L327 HydrophobicContact CG1-CD1 4.48Å; I286-V335 HydrophobicContact CD1-CB 3.85Å; I286-V335 HydrophobicContact CD1-CG1 4.41Å; I286-V335 HydrophobicContact CD1-CG2 4.14Å; I286-V335 HydrophobicContact CG1-CB 4.21Å; I286-V335 HydrophobicContact CG2-CB 4.43Å; I286-V335 HydrophobicContact CG2-CG1 4.25Å; I286-Y336 VanDerWaalsContact CG1-O 3.27Å; I286-Y336 WeakPolarHBondContact CG1-O 3.16Å; I286-Y336 PolarHBondContact N-O 3.16Å; I286-E337 HydrophobicContact CG1-CB 4.33Å; I286-E337 WeakPolarHBondContact O-CG 3.34Å
287	E	98.9	Very high	97.5	Very high	187 Å²	187	57 Å²	57	87%	0.874	30%	0.304	S	S	*	.			trans	-126.8	126.6	170.1	-65.2	-179	92.4	0	0	109.1
288	T	98.8	Very high	97.2	Very high	15 Å²	15	56.7 Å²	56.7	9%	0.092	31%	0.305	C	S	.	.			trans	-114.2	160	178	65.9	0	0	0	0	110.9	I286 M290 R317 P320 Y323 L327 E337	I286-T288 HydrophobicContact CD1-CG2 3.8Å; T288-M290 PolarHBondContact O-N 3.34Å; T288-R317 PolarHBondContact O-NH1 3.02Å; T288-R317 PolarHBondContact OG1-NH1 3.45Å; T288-P320 VanDerWaalsContact OG1-CB 3.32Å; T288-P320 WeakPolarHBondContact OG1-CB 3.23Å; T288-Y323 HydrophobicContact CG2-CG 4.48Å; T288-L327 HydrophobicContact CG2-CD1 4.3Å; T288-E337 WeakPolarHBondContact CB-OE2 3.34Å; T288-E337 PolarHBondContact N-OE2 2.79Å; T288-E337 PolarHBondContact OG1-OE2 2.69Å
289	P	98.6	Very high	96.7	Very high	63 Å²	63	59.6 Å²	59.6	41%	0.409	32%	0.323	S	S	.	.			trans	-53.8	136.9	-176.8	-28	36.3	0	0	0	113.6	N292 R317 Y323	P289-N292 PolarHBondContact O-OD1 3.42Å; P289-R317 WeakPolarHBondContact O-CD 3.29Å; P289-Y323 HydrophobicContact CB-CE2 4.31Å; P289-Y323 HydrophobicContact CG-CE1 4.01Å; P289-Y323 HydrophobicContact CG-CE2 4.36Å
290	M	98.7	Very high	96.4	Very high	74 Å²	74	56 Å²	56	37%	0.365	30%	0.304	S	S	.	.	S	Bend	trans	-93.9	-10.9	169.8	-65.2	-169	-175.7	0	0	113.1	T288 M316 R317 R340 F342	T288-M290 PolarHBondContact O-N 3.34Å; M290-M316 HydrophobicContact CB-CE 4.5Å; M290-M316 CarbonylContact O-C 3.52Å; M290-M316 WeakPolarHBondContact O-CA 3.46Å; M290-R317 HydrophobicContact CB-CG 4.43Å; M290-R317 PolarHBondContact O-N 2.83Å; M290-R340 HydrophobicContact CE-CB 4.47Å; M290-F342 HydrophobicContact SD-CE2 4.19Å
291	M	98.3	Very high	96.2	Very high	101 Å²	101	54.6 Å²	54.6	50%	0.498	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.8	176.2	-64.9	-174.3	-64.8	0	0	108.7	T305 L314 F315 M316	M291-T305 HydrophobicContact SD-CG2 4.5Å; M291-L314 HydrophobicContact CB-CB 4.35Å; M291-L314 HydrophobicContact CB-CD1 4.12Å; M291-L314 HydrophobicContact SD-CD1 4.27Å; M291-F315 CarbonylContact C-O 3.45Å; M291-F315 WeakPolarHBondContact CA-O 3.37Å; M291-M316 HydrophobicContact CG-CE 4.33Å; M291-M316 HydrophobicContact CG-SD 3.87Å
292	N	96.3	Very high	96	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.3	-172.6	-53.2	-13.1	0	0	0	109.9	P289 I294 F315 Y323	P289-N292 PolarHBondContact O-OD1 3.42Å; N292-I294 VanDerWaalsContact C-N 3.29Å; N292-I294 VanDerWaalsContact CB-O 3.3Å; N292-I294 WeakPolarHBondContact CB-O 3.43Å; N292-F315 PolarHBondContact N-O 3.35Å; N292-F315 PolarHBondContact O-N 3.36Å; N292-Y323 PolarHBondContact OD1-OH 3.21Å
293	I	96.3	Very high	96	Very high	116 Å²	116	54.1 Å²	54.1	60%	0.595	28%	0.275	S	S	*	.	S	Bend	trans	-68	-37.7	170.1	-60.4	172.1	0	0	0	109.8	L314 F315	I293-L314 HydrophobicContact CG1-CD2 4.13Å; I293-F315 WeakPolarHBondContact O-CD2 3.48Å; I293-F315 VanDerWaalsContact O-CE2 3.31Å; I293-F315 WeakPolarHBondContact O-CE2 3.39Å
294	I	94.1	Very high	96	Very high	60 Å²	60	57.8 Å²	57.8	31%	0.308	30%	0.298	S	S	.	.	S	Bend	trans	-128.6	121.3	177.3	-55.9	-179.8	0	0	0	107.6	N292 F548	N292-I294 VanDerWaalsContact C-N 3.29Å; N292-I294 VanDerWaalsContact CB-O 3.3Å; N292-I294 WeakPolarHBondContact CB-O 3.43Å; I294-F548 HydrophobicContact CG2-CB 3.33Å; I294-F548 HydrophobicContact CG2-CD2 4.16Å; I294-F548 HydrophobicContact CG2-CG 3.9Å
295	P	94.3	Very high	95.9	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.026	30%	0.295	C	S	.	.			trans	-78.3	140.5	173.7	31.1	-29.8	0	0	0	110.1	P302 F315 I318 F548	P295-P302 HydrophobicContact CB-CB 4.06Å; P295-P302 HydrophobicContact CG-CB 3.84Å; P295-P302 HydrophobicContact CG-CG 3.79Å; P295-F315 HydrophobicContact CB-CB 3.96Å; P295-F315 HydrophobicContact CG-CB 3.79Å; P295-F315 HydrophobicContact CG-CD1 4.03Å; P295-F315 HydrophobicContact CG-CD2 4.4Å; P295-F315 HydrophobicContact CG-CG 3.82Å; P295-I318 HydrophobicContact CB-CD1 4.45Å; P295-I318 HydrophobicContact CB-CG1 4.44Å; P295-F548 HydrophobicContact CG-CD2 3.96Å; P295-F548 HydrophobicContact CG-CE2 3.69Å
296	G	93.4	Very high	95.9	Very high	9 Å²	9	57.5 Å²	57.5	9%	0.093	30%	0.295	C	S	.	.			trans	-158.1	-178.1	-178.7	0	0	0	0	0	112.1	A298 I318	G296-A298 VanDerWaalsContact C-N 3.33Å; G296-I318 WeakPolarHBondContact O-CG1 3.46Å
297	G	91.3	Very high	95.8	Very high	8 Å²	8	59.4 Å²	59.4	8%	0.082	30%	0.304	C	S	.	.	S	Bend	trans	84.2	-2.3	-178.5	0	0	0	0	0	115.3	A319 E321	G297-A319 WeakPolarHBondContact O-CB 3.49Å; G297-E321 WeakPolarHBondContact CA-OE2 3.46Å
298	A	92.6	Very high	95.8	Very high	14 Å²	14	57 Å²	57	12%	0.116	30%	0.297	C	S	.	.	S	Bend	trans	-155.9	167.8	171.1	0	0	0	0	0	110.7	G296 I318 A319 M547	G296-A298 VanDerWaalsContact C-N 3.33Å; A298-I318 HydrophobicContact CB-CB 4.41Å; A298-I318 HydrophobicContact CB-CD1 4.07Å; A298-I318 HydrophobicContact CB-CG1 4.11Å; A298-I318 WeakPolarHBondContact O-CD1 3.24Å; A298-A319 HydrophobicContact CB-CB 4.18Å; A298-M547 VanDerWaalsContact C-CE 3.43Å; A298-M547 WeakPolarHBondContact O-CE 3.28Å
299	V	89.9	Confident	95.7	Very high	61 Å²	61	64.6 Å²	64.6	37%	0.37	33%	0.331	S	S	.	.	S	Bend	trans	-98.1	102.1	168.6	178.5	0	0	0	0	106.9	E545 M547	V299-E545 WeakPolarHBondContact CA-O 3.34Å; V299-E545 HydrophobicContact CG1-CB 3.61Å; V299-E545 WeakPolarHBondContact CG1-O 3.43Å; V299-M547 HydrophobicContact CG2-CE 4.01Å
300	A	92.1	Very high	95.6	Very high	4 Å²	4	66.5 Å²	66.5	3%	0.033	34%	0.338	C	S	.	.	S	Bend	trans	-165.8	152.2	-177.1	0	0	0	0	0	111.5	P302 I318 R343 E345 E545	A300-P302 WeakPolarHBondContact O-CD 3.18Å; A300-I318 HydrophobicContact CB-CB 4.23Å; A300-I318 HydrophobicContact CB-CD1 4.37Å; A300-I318 HydrophobicContact CB-CG2 4.04Å; A300-R343 HydrophobicContact CB-CB 4.47Å; A300-R343 HydrophobicContact CB-CG 3.7Å; A300-E345 WeakPolarHBondContact CB-OE1 3.34Å; A300-E545 PolarHBondContact N-O 2.83Å
301	R	93.1	Very high	95.5	Very high	126 Å²	126	68.7 Å²	68.7	48%	0.475	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-76.6	122.1	173.7	-172.4	178.6	177.7	160.7	3.1	110.7	N344	R301-N344 HydrophobicContact CG-CB 4.25Å; R301-N344 WeakPolarHBondContact O-CB 3.32Å; R301-N344 PolarHBondContact O-N 3.48Å
302	P	96.2	Very high	95.5	Very high	15 Å²	15	67 Å²	67	10%	0.097	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-82	159.3	-178.1	34.2	-37.6	0	0	0	112.9	P295 A300 F315 I318	P295-P302 HydrophobicContact CB-CB 4.06Å; P295-P302 HydrophobicContact CG-CB 3.84Å; P295-P302 HydrophobicContact CG-CG 3.79Å; A300-P302 WeakPolarHBondContact O-CD 3.18Å; P302-F315 HydrophobicContact CB-CB 4.3Å; P302-F315 HydrophobicContact CB-CD1 3.94Å; P302-F315 HydrophobicContact CG-CD1 3.69Å; P302-F315 HydrophobicContact CG-CE1 4.2Å; P302-I318 HydrophobicContact CB-CG2 4.23Å
303	F	97.6	Very high	95.6	Very high	68 Å²	68	71.2 Å²	71.2	30%	0.298	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-81.7	144.2	160.3	-74.7	-85.2	0	0	0	110.3	F315 M316 F342 R343 N344 P353	F303-F315 CarbonylContact O-C 3.56Å; F303-F315 VanDerWaalsContact O-CA 3.26Å; F303-F315 WeakPolarHBondContact O-CA 3.46Å; F303-M316 HydrophobicContact CB-CB 4.05Å; F303-M316 HydrophobicContact CB-CG 3.86Å; F303-M316 PolarHBondContact O-N 2.94Å; F303-F342 HydrophobicContact CD2-CB 3.89Å; F303-F342 HydrophobicContact CE2-CB 4.39Å; F303-R343 VanDerWaalsContact CE2-C 3.47Å; F303-R343 WeakPolarHBondContact CE2-O 3.31Å; F303-N344 HydrophobicContact CD1-CB 4.12Å; F303-N344 HydrophobicContact CD2-CB 3.98Å; F303-N344 HydrophobicContact CE1-CB 4.03Å; F303-N344 HydrophobicContact CE2-CB 3.92Å; F303-N344 HydrophobicContact CG-CB 4.1Å; F303-N344 HydrophobicContact CZ-CB 3.93Å; F303-P353 HydrophobicContact CE2-CB 4.08Å; F303-P353 HydrophobicContact CZ-CB 3.91Å
304	V	97.9	Very high	95.7	Very high	88 Å²	88	66.3 Å²	66.3	53%	0.533	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.2	177.9	-165.8	0	0	0	0	109.4	N313 F315	V304-N313 HydrophobicContact CG1-CB 4.28Å; V304-F315 HydrophobicContact CB-CD1 4.45Å; V304-F315 HydrophobicContact CB-CE1 4.41Å; V304-F315 HydrophobicContact CG1-CD1 4.46Å; V304-F315 HydrophobicContact CG1-CE1 4.18Å; V304-F315 HydrophobicContact CG2-CD1 3.76Å; V304-F315 HydrophobicContact CG2-CE1 3.55Å
305	T	98.2	Very high	95.9	Very high	64 Å²	64	65.3 Å²	65.3	39%	0.393	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	175.7	172.7	-167.2	0	0	0	0	109.8	M291 N313 L314 M316	M291-T305 HydrophobicContact SD-CG2 4.5Å; T305-N313 WeakPolarHBondContact O-CA 3.38Å; T305-L314 HydrophobicContact CG2-CB 4Å; T305-L314 PolarHBondContact N-O 3.2Å; T305-L314 PolarHBondContact O-N 3.14Å; T305-L314 VanDerWaalsContact O-O 3.1Å; T305-M316 HydrophobicContact CG2-SD 4.45Å
306	Y	98.2	Very high	96.1	Very high	103 Å²	103	67 Å²	67	40%	0.404	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.9	-175.4	176.5	-98.7	0	0	0	111.4	N308 D311 M312	Y306-N308 VanDerWaalsContact CD1-OD1 3.23Å; Y306-N308 WeakPolarHBondContact CD1-OD1 3.46Å; Y306-N308 WeakPolarHBondContact CE1-OD1 3.5Å; Y306-D311 WeakPolarHBondContact OH-CA 3.41Å; Y306-D311 PolarHBondContact OH-OD1 3.01Å; Y306-M312 WeakPolarHBondContact CD2-O 3.34Å
307	H	97.8	Very high	96.3	Very high	60 Å²	60	66.6 Å²	66.6	28%	0.278	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	102.5	179.1	-168.5	-66.3	0	0	0	110.8	E309 L310 D311 M312 L314	H307-E309 PolarHBondContact ND1-N 3.07Å; H307-E309 PolarHBondContact O-N 2.87Å; H307-L310 HydrophobicContact CB-CB 4.42Å; H307-L310 PolarHBondContact ND1-N 3.1Å; H307-L310 PolarHBondContact O-N 3.32Å; H307-L310 VanDerWaalsContact O-N 3.16Å; H307-D311 PolarHBondContact O-N 2.99Å; H307-M312 HydrophobicContact CB-CG 4.48Å; H307-M312 PolarHBondContact N-O 3.24Å; H307-L314 HydrophobicContact CB-CD1 3.97Å
308	N	97.6	Very high	96.6	Very high	138 Å²	138	66.6 Å²	66.6	74%	0.738	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-43.1	-171.9	-66.6	-13.1	0	0	0	115	Y306	Y306-N308 VanDerWaalsContact CD1-OD1 3.23Å; Y306-N308 WeakPolarHBondContact CD1-OD1 3.46Å; Y306-N308 WeakPolarHBondContact CE1-OD1 3.5Å
309	E	97.6	Very high	96.9	Very high	174 Å²	174	66.2 Å²	66.2	81%	0.813	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-27.4	-176.4	-178.5	177.3	-161.4	0	0	113.1	H307	H307-E309 PolarHBondContact ND1-N 3.07Å; H307-E309 PolarHBondContact O-N 2.87Å
310	L	96.5	Very high	97.3	Very high	103 Å²	103	63.3 Å²	63.3	54%	0.539	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-1.2	-176.4	-64.9	177.6	0	0	0	111.9	H307 M312	H307-L310 HydrophobicContact CB-CB 4.42Å; H307-L310 PolarHBondContact ND1-N 3.1Å; H307-L310 PolarHBondContact O-N 3.32Å; H307-L310 VanDerWaalsContact O-N 3.16Å; L310-M312 VanDerWaalsContact C-N 3.28Å; L310-M312 HydrophobicContact CB-CE 3.94Å; L310-M312 HydrophobicContact CB-CG 3.98Å; L310-M312 HydrophobicContact CB-SD 4.15Å; L310-M312 HydrophobicContact CD1-CE 3.5Å; L310-M312 VanDerWaalsContact CD1-CE 3.5Å; L310-M312 HydrophobicContact CG-CE 4.36Å; L310-M312 PolarHBondContact O-N 2.89Å
311	D	97.2	Very high	97.6	Very high	120 Å²	120	63.3 Å²	63.3	64%	0.642	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	48.8	179.6	-169	18	0	0	0	113.1	Y306 H307	Y306-D311 WeakPolarHBondContact OH-CA 3.41Å; Y306-D311 PolarHBondContact OH-OD1 3.01Å; H307-D311 PolarHBondContact O-N 2.99Å
312	M	97.3	Very high	97.9	Very high	65 Å²	65	57.8 Å²	57.8	32%	0.32	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.2	-177.1	68.5	-177	-174	0	0	112.8	Y306 H307 L310 L314	Y306-M312 WeakPolarHBondContact CD2-O 3.34Å; H307-M312 HydrophobicContact CB-CG 4.48Å; H307-M312 PolarHBondContact N-O 3.24Å; L310-M312 VanDerWaalsContact C-N 3.28Å; L310-M312 HydrophobicContact CB-CE 3.94Å; L310-M312 HydrophobicContact CB-CG 3.98Å; L310-M312 HydrophobicContact CB-SD 4.15Å; L310-M312 HydrophobicContact CD1-CE 3.5Å; L310-M312 VanDerWaalsContact CD1-CE 3.5Å; L310-M312 HydrophobicContact CG-CE 4.36Å; L310-M312 PolarHBondContact O-N 2.89Å; M312-L314 HydrophobicContact CE-CD1 4.42Å; M312-L314 HydrophobicContact CE-CD2 4.03Å; M312-L314 HydrophobicContact CE-CG 4.38Å
313	N	98	Very high	98	Very high	96 Å²	96	60.3 Å²	60.3	51%	0.513	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	144	170.3	-69.5	-43.3	0	0	0	110.4	V304 T305	V304-N313 HydrophobicContact CG1-CB 4.28Å; T305-N313 WeakPolarHBondContact O-CA 3.38Å
314	L	98	Very high	98.1	Very high	12 Å²	12	57 Å²	57	6%	0.063	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.7	172.5	-71.9	173	0	0	0	109.1	M291 I293 T305 H307 M312	M291-L314 HydrophobicContact CB-CB 4.35Å; M291-L314 HydrophobicContact CB-CD1 4.12Å; M291-L314 HydrophobicContact SD-CD1 4.27Å; I293-L314 HydrophobicContact CG1-CD2 4.13Å; T305-L314 HydrophobicContact CG2-CB 4Å; T305-L314 PolarHBondContact N-O 3.2Å; T305-L314 PolarHBondContact O-N 3.14Å; T305-L314 VanDerWaalsContact O-O 3.1Å; H307-L314 HydrophobicContact CB-CD1 3.97Å; M312-L314 HydrophobicContact CE-CD1 4.42Å; M312-L314 HydrophobicContact CE-CD2 4.03Å; M312-L314 HydrophobicContact CE-CG 4.38Å
315	F	98.4	Very high	98.1	Very high	40 Å²	40	52.9 Å²	52.9	18%	0.175	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.6	178	-61.3	-94.3	0	0	0	109.7	M291 N292 I293 P295 P302 F303 V304	M291-F315 CarbonylContact C-O 3.45Å; M291-F315 WeakPolarHBondContact CA-O 3.37Å; N292-F315 PolarHBondContact N-O 3.35Å; N292-F315 PolarHBondContact O-N 3.36Å; I293-F315 WeakPolarHBondContact O-CD2 3.48Å; I293-F315 VanDerWaalsContact O-CE2 3.31Å; I293-F315 WeakPolarHBondContact O-CE2 3.39Å; P295-F315 HydrophobicContact CB-CB 3.96Å; P295-F315 HydrophobicContact CG-CB 3.79Å; P295-F315 HydrophobicContact CG-CD1 4.03Å; P295-F315 HydrophobicContact CG-CD2 4.4Å; P295-F315 HydrophobicContact CG-CG 3.82Å; P302-F315 HydrophobicContact CB-CB 4.3Å; P302-F315 HydrophobicContact CB-CD1 3.94Å; P302-F315 HydrophobicContact CG-CD1 3.69Å; P302-F315 HydrophobicContact CG-CE1 4.2Å; F303-F315 CarbonylContact O-C 3.56Å; F303-F315 VanDerWaalsContact O-CA 3.26Å; F303-F315 WeakPolarHBondContact O-CA 3.46Å; V304-F315 HydrophobicContact CB-CD1 4.45Å; V304-F315 HydrophobicContact CB-CE1 4.41Å; V304-F315 HydrophobicContact CG1-CD1 4.46Å; V304-F315 HydrophobicContact CG1-CE1 4.18Å; V304-F315 HydrophobicContact CG2-CD1 3.76Å; V304-F315 HydrophobicContact CG2-CE1 3.55Å
316	M	98.6	Very high	98.2	Very high	40 Å²	40	52.1 Å²	52.1	20%	0.197	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.1	169.5	-57	-55.9	-60.8	0	0	108.8	M290 M291 F303 T305 F342	M290-M316 HydrophobicContact CB-CE 4.5Å; M290-M316 CarbonylContact O-C 3.52Å; M290-M316 WeakPolarHBondContact O-CA 3.46Å; M291-M316 HydrophobicContact CG-CE 4.33Å; M291-M316 HydrophobicContact CG-SD 3.87Å; F303-M316 HydrophobicContact CB-CB 4.05Å; F303-M316 HydrophobicContact CB-CG 3.86Å; F303-M316 PolarHBondContact O-N 2.94Å; T305-M316 HydrophobicContact CG2-SD 4.45Å; M316-F342 HydrophobicContact CB-CB 3.79Å; M316-F342 HydrophobicContact CB-CD2 3.86Å; M316-F342 HydrophobicContact CB-CG 3.9Å; M316-F342 HydrophobicContact CE-CD2 4.01Å; M316-F342 HydrophobicContact CE-CE1 4.47Å; M316-F342 HydrophobicContact CE-CE2 3.72Å; M316-F342 HydrophobicContact CE-CZ 3.96Å
317	R	98.4	Very high	98.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.			trans	-61.2	143.9	-176	73	171.8	-177.5	-162.6	8.6	112.5	T288 P289 M290 E337 R340 Q341 F342	T288-R317 PolarHBondContact O-NH1 3.02Å; T288-R317 PolarHBondContact OG1-NH1 3.45Å; P289-R317 WeakPolarHBondContact O-CD 3.29Å; M290-R317 HydrophobicContact CB-CG 4.43Å; M290-R317 PolarHBondContact O-N 2.83Å; R317-E337 IonicContact CZ-OE1 2.7Å; R317-E337 IonicContact NH1-OE1 2.75Å; R317-E337 PolarHBondContact NH1-OE1 2.97Å; R317-E337 IonicContact NH1-OE2 2.74Å; R317-E337 PolarHBondContact NH1-OE2 3.48Å; R317-E337 IonicContact NH2-OE1 3.76Å; R317-E337 PolarHBondContact NH2-OE1 2.87Å; R317-R340 PolarHBondContact NE-O 3.4Å; R317-R340 PolarHBondContact NH2-O 2.9Å; R317-R340 VanDerWaalsContact NH2-O 3.09Å; R317-Q341 VanDerWaalsContact NE-OE1 3.09Å; R317-F342 PolarHBondContact O-N 3.47Å
318	I	98.1	Very high	98.2	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.036	24%	0.237	C	C	.	.	S	Bend	trans	-99.9	-24.1	172.5	58.2	178.5	0	0	0	112	P295 G296 A298 A300 P302 F342 R343	P295-I318 HydrophobicContact CB-CD1 4.45Å; P295-I318 HydrophobicContact CB-CG1 4.44Å; G296-I318 WeakPolarHBondContact O-CG1 3.46Å; A298-I318 HydrophobicContact CB-CB 4.41Å; A298-I318 HydrophobicContact CB-CD1 4.07Å; A298-I318 HydrophobicContact CB-CG1 4.11Å; A298-I318 WeakPolarHBondContact O-CD1 3.24Å; A300-I318 HydrophobicContact CB-CB 4.23Å; A300-I318 HydrophobicContact CB-CD1 4.37Å; A300-I318 HydrophobicContact CB-CG2 4.04Å; P302-I318 HydrophobicContact CB-CG2 4.23Å; I318-F342 WeakPolarHBondContact CG2-O 3.43Å; I318-R343 HydrophobicContact CG2-CG 4.5Å
319	A	98.4	Very high	98.3	Very high	6 Å²	6	42.1 Å²	42.1	5%	0.05	21%	0.211	C	C	.	.			trans	-160.1	155.7	169	0	0	0	0	0	109.9	G297 A298 E321	G297-A319 WeakPolarHBondContact O-CB 3.49Å; A298-A319 HydrophobicContact CB-CB 4.18Å; A319-E321 HydrophobicContact CB-CB 4.48Å
320	P	98.6	Very high	98.4	Very high	1 Å²	1	37 Å²	37	1%	0.006	21%	0.205	C	C	.	.	S	Bend	trans	-88.1	-5.8	172.2	37	-39.7	0	0	0	114.5	T288 L322 Y323 H324 E359	T288-P320 VanDerWaalsContact OG1-CB 3.32Å; T288-P320 WeakPolarHBondContact OG1-CB 3.23Å; P320-L322 PolarHBondContact O-N 3.23Å; P320-L322 VanDerWaalsContact O-N 3.12Å; P320-Y323 WeakPolarHBondContact O-CB 3.48Å; P320-Y323 PolarHBondContact O-N 3.32Å; P320-H324 WeakPolarHBondContact CB-NE2 3.44Å; P320-H324 PolarHBondContact O-CD2 3Å; P320-H324 PolarHBondContact O-N 2.97Å; P320-E359 VanDerWaalsContact CD-CD 3.46Å; P320-E359 VanDerWaalsContact CD-OE1 3.3Å; P320-E359 WeakPolarHBondContact CD-OE1 3.44Å; P320-E359 WeakPolarHBondContact CD-OE2 3.5Å; P320-E359 HydrophobicContact CG-CB 4.21Å; P320-E359 HydrophobicContact CG-CG 4.5Å; P320-E359 VanDerWaalsContact CG-OE2 3.29Å; P320-E359 WeakPolarHBondContact CG-OE2 3.27Å
321	E	98.8	Very high	98.4	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.019	20%	0.204	C	C	.	.	H	α-helix	trans	-36.8	-53.9	-174.5	167.1	166.7	-175.1	0	0	116.4	G297 A319 Y323 H324 K325 E359 Y361 L492 Y519	G297-E321 WeakPolarHBondContact CA-OE2 3.46Å; A319-E321 HydrophobicContact CB-CB 4.48Å; E321-Y323 VanDerWaalsContact C-N 3.27Å; E321-Y323 PolarHBondContact O-N 3.17Å; E321-H324 PolarHBondContact O-N 2.87Å; E321-H324 VanDerWaalsContact O-N 3.14Å; E321-K325 PolarHBondContact O-N 2.81Å; E321-K325 VanDerWaalsContact O-N 3.09Å; E321-K325 WeakPolarHBondContact OE1-CE 3.33Å; E321-K325 IonicContact OE1-NZ 2.69Å; E321-K325 PolarHBondContact OE1-NZ 2.66Å; E321-E359 PolarHBondContact N-OE2 2.96Å; E321-Y361 WeakPolarHBondContact CA-OH 3.49Å; E321-Y361 WeakPolarHBondContact CB-OH 3.45Å; E321-Y361 HydrophobicContact CG-CE1 4.22Å; E321-Y361 WeakPolarHBondContact CG-OH 3.49Å; E321-L492 VanDerWaalsContact CD-CD1 3.44Å; E321-L492 HydrophobicContact CG-CD1 4.4Å; E321-L492 WeakPolarHBondContact OE1-CB 3.32Å; E321-L492 VanDerWaalsContact OE1-CD1 3.23Å; E321-L492 WeakPolarHBondContact OE1-CD1 3.3Å; E321-L492 WeakPolarHBondContact OE2-CD1 3.22Å; E321-Y519 PolarHBondContact OE1-OH 3.27Å; E321-Y519 PolarHBondContact OE2-OH 2.95Å
322	L	98.6	Very high	98.5	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-37.6	-173.8	-57.6	-171.3	0	0	0	111.4	P320 M326 L492 D550 F553	P320-L322 PolarHBondContact O-N 3.23Å; P320-L322 VanDerWaalsContact O-N 3.12Å; L322-M326 WeakPolarHBondContact O-CG 3.24Å; L322-M326 PolarHBondContact O-N 3.26Å; L322-M326 VanDerWaalsContact O-N 3.12Å; L322-L492 HydrophobicContact CD2-CD1 4.25Å; L322-L492 HydrophobicContact CD2-CD2 4.33Å; L322-D550 HydrophobicContact CD1-CB 4.35Å; L322-F553 HydrophobicContact CB-CD2 3.94Å; L322-F553 HydrophobicContact CB-CE2 4.35Å; L322-F553 HydrophobicContact CB-CG 4.26Å; L322-F553 HydrophobicContact CD1-CB 4.4Å; L322-F553 HydrophobicContact CD1-CG 4.31Å; L322-F553 HydrophobicContact CD2-CD1 3.89Å; L322-F553 HydrophobicContact CD2-CD2 4.14Å; L322-F553 HydrophobicContact CD2-CE1 3.8Å; L322-F553 HydrophobicContact CD2-CE2 4.07Å; L322-F553 HydrophobicContact CD2-CG 4.06Å; L322-F553 HydrophobicContact CD2-CZ 3.91Å; L322-F553 HydrophobicContact CG-CD2 4.49Å; L322-F553 HydrophobicContact CG-CG 4.44Å
323	Y	98.9	Very high	98.6	Very high	67 Å²	67	32.3 Å²	32.3	26%	0.263	19%	0.193	S	C	.	.	H	α-helix	trans	-67.7	-39.5	176.3	-67.8	-73.5	0	0	0	112.2	T288 P289 N292 P320 E321 K325 M326 L327	T288-Y323 HydrophobicContact CG2-CG 4.48Å; P289-Y323 HydrophobicContact CB-CE2 4.31Å; P289-Y323 HydrophobicContact CG-CE1 4.01Å; P289-Y323 HydrophobicContact CG-CE2 4.36Å; N292-Y323 PolarHBondContact OD1-OH 3.21Å; P320-Y323 WeakPolarHBondContact O-CB 3.48Å; P320-Y323 PolarHBondContact O-N 3.32Å; E321-Y323 VanDerWaalsContact C-N 3.27Å; E321-Y323 PolarHBondContact O-N 3.17Å; Y323-K325 VanDerWaalsContact C-N 3.35Å; Y323-K325 PolarHBondContact O-N 3.16Å; Y323-M326 HydrophobicContact CD1-CE 3.45Å; Y323-M326 VanDerWaalsContact CD1-CE 3.45Å; Y323-M326 HydrophobicContact CE1-CE 3.88Å; Y323-M326 HydrophobicContact CG-CE 4.11Å; Y323-M326 PolarHBondContact O-N 2.75Å; Y323-L327 WeakPolarHBondContact O-CG 3.5Å; Y323-L327 PolarHBondContact O-N 3.23Å
324	H	98.9	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-44.6	178.8	-73.1	-141.6	0	0	0	110.8	P320 E321 M326 L327 V328 V335 E337 Y361	P320-H324 WeakPolarHBondContact CB-NE2 3.44Å; P320-H324 PolarHBondContact O-CD2 3Å; P320-H324 PolarHBondContact O-N 2.97Å; E321-H324 PolarHBondContact O-N 2.87Å; E321-H324 VanDerWaalsContact O-N 3.14Å; H324-M326 VanDerWaalsContact C-N 3.35Å; H324-M326 PolarHBondContact O-N 3.24Å; H324-L327 WeakPolarHBondContact O-CB 3.28Å; H324-L327 PolarHBondContact O-N 3.45Å; H324-L327 VanDerWaalsContact O-N 3.1Å; H324-V328 WeakPolarHBondContact O-CG2 3.43Å; H324-V328 PolarHBondContact O-N 3.03Å; H324-V335 HydrophobicContact CB-CG2 4.05Å; H324-E337 VanDerWaalsContact CE1-CB 3.43Å; H324-E337 WeakPolarHBondContact CE1-CB 3.48Å; H324-E337 WeakPolarHBondContact NE2-CB 3.49Å; H324-E337 IonicContact NE2-OE2 3.8Å; H324-E337 PolarHBondContact NE2-OE2 3.34Å; H324-Y361 HydrophobicContact CB-CD1 4.5Å; H324-Y361 HydrophobicContact CB-CD2 3.16Å; H324-Y361 HydrophobicContact CB-CE2 3.44Å; H324-Y361 VanDerWaalsContact CB-CE2 3.44Å; H324-Y361 HydrophobicContact CB-CG 3.78Å; H324-Y361 AromaticContact CG-CD2 3.58Å; H324-Y361 AromaticContact CG-CE2 3.71Å; H324-Y361 AromaticContact ND1-CD2 3.28Å; H324-Y361 VanDerWaalsContact ND1-CD2 3.28Å; H324-Y361 WeakPolarHBondContact ND1-CD2 3.4Å; H324-Y361 AromaticContact ND1-CE2 3.55Å
325	K	98.8	Very high	98.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-41.4	173.7	-79.1	-172.8	-87	-149.9	0	113.1	E321 Y323 L327 V328 V329 Y361 E521 F553 L561	E321-K325 PolarHBondContact O-N 2.81Å; E321-K325 VanDerWaalsContact O-N 3.09Å; E321-K325 WeakPolarHBondContact OE1-CE 3.33Å; E321-K325 IonicContact OE1-NZ 2.69Å; E321-K325 PolarHBondContact OE1-NZ 2.66Å; Y323-K325 VanDerWaalsContact C-N 3.35Å; Y323-K325 PolarHBondContact O-N 3.16Å; K325-L327 VanDerWaalsContact C-N 3.26Å; K325-L327 PolarHBondContact O-N 3.04Å; K325-V328 PolarHBondContact O-N 2.96Å; K325-V328 VanDerWaalsContact O-N 3.16Å; K325-V329 WeakPolarHBondContact O-CG2 3.36Å; K325-V329 PolarHBondContact O-N 2.86Å; K325-Y361 HydrophobicContact CD-CE1 4.48Å; K325-Y361 HydrophobicContact CG-CD1 3.93Å; K325-Y361 HydrophobicContact CG-CE1 3.93Å; K325-E521 HydrophobicContact CD-CB 4.32Å; K325-E521 HydrophobicContact CD-CG 4.25Å; K325-E521 VanDerWaalsContact CD-OE2 3.27Å; K325-E521 WeakPolarHBondContact CD-OE2 3.25Å; K325-E521 WeakPolarHBondContact CE-OE2 3.4Å; K325-E521 IonicContact NZ-OE2 2.94Å; K325-E521 PolarHBondContact NZ-OE2 2.89Å; K325-F553 HydrophobicContact CB-CE2 3.74Å; K325-F553 HydrophobicContact CB-CZ 4.33Å; K325-F553 HydrophobicContact CD-CE2 4.12Å; K325-F553 HydrophobicContact CD-CZ 3.84Å; K325-L561 HydrophobicContact CB-CD2 4.28Å; K325-L561 HydrophobicContact CD-CD2 3.84Å; K325-L561 HydrophobicContact CG-CD2 4.08Å
326	M	98.9	Very high	98.7	Very high	48 Å²	48	29.9 Å²	29.9	24%	0.236	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-32.5	174.9	-70.8	-170.4	-73	0	0	112.7	L322 Y323 H324 V329 G330 F553 A556	L322-M326 WeakPolarHBondContact O-CG 3.24Å; L322-M326 PolarHBondContact O-N 3.26Å; L322-M326 VanDerWaalsContact O-N 3.12Å; Y323-M326 HydrophobicContact CD1-CE 3.45Å; Y323-M326 VanDerWaalsContact CD1-CE 3.45Å; Y323-M326 HydrophobicContact CE1-CE 3.88Å; Y323-M326 HydrophobicContact CG-CE 4.11Å; Y323-M326 PolarHBondContact O-N 2.75Å; H324-M326 VanDerWaalsContact C-N 3.35Å; H324-M326 PolarHBondContact O-N 3.24Å; M326-V329 WeakPolarHBondContact O-CB 3.43Å; M326-V329 PolarHBondContact O-N 3.3Å; M326-G330 PolarHBondContact O-N 2.67Å; M326-F553 HydrophobicContact CG-CD2 4.05Å; M326-A556 HydrophobicContact CG-CB 3.64Å; M326-A556 HydrophobicContact SD-CB 4.07Å
327	L	98.9	Very high	98.7	Very high	57 Å²	57	28.4 Å²	28.4	30%	0.298	17%	0.167	S	C	.	.	H	α-helix	trans	-70.9	-36.1	173.9	-67.7	169.8	0	0	0	112.3	I286 T288 Y323 H324 K325 G330 G331 L332 V335	I286-L327 HydrophobicContact CD1-CD1 3.25Å; I286-L327 HydrophobicContact CG1-CD1 4.48Å; T288-L327 HydrophobicContact CG2-CD1 4.3Å; Y323-L327 WeakPolarHBondContact O-CG 3.5Å; Y323-L327 PolarHBondContact O-N 3.23Å; H324-L327 WeakPolarHBondContact O-CB 3.28Å; H324-L327 PolarHBondContact O-N 3.45Å; H324-L327 VanDerWaalsContact O-N 3.1Å; K325-L327 VanDerWaalsContact C-N 3.26Å; K325-L327 PolarHBondContact O-N 3.04Å; L327-G330 CarbonylContact O-C 3.59Å; L327-G330 WeakPolarHBondContact O-CA 3.4Å; L327-G330 PolarHBondContact O-N 3.11Å; L327-G330 VanDerWaalsContact O-N 3.08Å; L327-G331 PolarHBondContact O-N 2.77Å; L327-L332 HydrophobicContact CB-CD1 4.27Å; L327-L332 HydrophobicContact CD2-CD1 4.2Å; L327-L332 PolarHBondContact O-N 2.89Å; L327-V335 HydrophobicContact CB-CG1 4.44Å
328	V	98.9	Very high	98.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-41.6	172.5	-179.1	0	0	0	0	110.9	H324 K325 G330 G331 V335 A363 L561 T564	H324-V328 WeakPolarHBondContact O-CG2 3.43Å; H324-V328 PolarHBondContact O-N 3.03Å; K325-V328 PolarHBondContact O-N 2.96Å; K325-V328 VanDerWaalsContact O-N 3.16Å; V328-G330 PolarHBondContact O-N 3.35Å; V328-G331 PolarHBondContact O-N 3.14Å; V328-V335 HydrophobicContact CG2-CG2 4.36Å; V328-A363 HydrophobicContact CG1-CB 3.98Å; V328-L561 HydrophobicContact CB-CD1 3.83Å; V328-L561 HydrophobicContact CG1-CD1 3.74Å; V328-T564 HydrophobicContact CG1-CG2 4.39Å
329	V	98.8	Very high	98.8	Very high	34 Å²	34	29.6 Å²	29.6	21%	0.206	18%	0.176	C	C	.	.	H	α-helix	trans	-54.7	-40.7	168.4	172	0	0	0	0	110.7	K325 M326 G331 A556 L561	K325-V329 WeakPolarHBondContact O-CG2 3.36Å; K325-V329 PolarHBondContact O-N 2.86Å; M326-V329 WeakPolarHBondContact O-CB 3.43Å; M326-V329 PolarHBondContact O-N 3.3Å; V329-G331 PolarHBondContact O-N 3.15Å; V329-G331 VanDerWaalsContact O-N 3.17Å; V329-A556 WeakPolarHBondContact CG1-O 3.41Å; V329-L561 HydrophobicContact CG2-CB 3.7Å; V329-L561 HydrophobicContact CG2-CD1 4.03Å; V329-L561 HydrophobicContact CG2-CG 4.45Å
330	G	98.7	Very high	98.8	Very high	66 Å²	66	33.7 Å²	33.7	68%	0.68	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-2.6	175.5	0	0	0	0	0	115.6	M326 L327 V328	M326-G330 PolarHBondContact O-N 2.67Å; L327-G330 CarbonylContact O-C 3.59Å; L327-G330 WeakPolarHBondContact O-CA 3.4Å; L327-G330 PolarHBondContact O-N 3.11Å; L327-G330 VanDerWaalsContact O-N 3.08Å; V328-G330 PolarHBondContact O-N 3.35Å
331	G	98.4	Very high	98.8	Very high	50 Å²	50	33.8 Å²	33.8	52%	0.515	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	10.1	177.3	0	0	0	0	0	115.2	L327 V328 V329 D333	L327-G331 PolarHBondContact O-N 2.77Å; V328-G331 PolarHBondContact O-N 3.14Å; V329-G331 PolarHBondContact O-N 3.15Å; V329-G331 VanDerWaalsContact O-N 3.17Å; G331-D333 PolarHBondContact O-N 2.96Å
332	L	98.7	Very high	98.8	Very high	71 Å²	71	35.2 Å²	35.2	37%	0.372	20%	0.196	S	C	.	.			trans	-86.7	86	170.5	-59.9	-178	0	0	0	109.6	L284 L327 R334 V335	L284-L332 HydrophobicContact CD2-CD1 4.16Å; L284-L332 HydrophobicContact CD2-CD2 4.45Å; L327-L332 HydrophobicContact CB-CD1 4.27Å; L327-L332 HydrophobicContact CD2-CD1 4.2Å; L327-L332 PolarHBondContact O-N 2.89Å; L332-R334 PolarHBondContact O-N 3.49Å; L332-V335 HydrophobicContact CB-CG1 3.65Å; L332-V335 HydrophobicContact CD1-CG1 4.23Å
333	D	98.8	Very high	98.7	Very high	69 Å²	69	38.1 Å²	38.1	37%	0.369	21%	0.207	S	C	.	.			trans	-57.8	-23.4	-172.1	-72	-22.7	0	0	0	115	G331 A363	G331-D333 PolarHBondContact O-N 2.96Å; D333-A363 HydrophobicContact CB-CB 3.91Å; D333-A363 WeakPolarHBondContact O-CB 3.44Å; D333-A363 PolarHBondContact O-N 2.77Å
334	R	98.9	Very high	98.6	Very high	97 Å²	97	38 Å²	38	37%	0.366	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	106.5	-177	-64.8	-174.5	-171.5	171.3	3.8	110.7	M281 F283 L284 L332 Y361 M362	M281-R334 PolarHBondContact O-NH1 3.17Å; F283-R334 HydrophobicContact CB-CB 4.25Å; F283-R334 HydrophobicContact CD1-CB 3.64Å; F283-R334 HydrophobicContact CD1-CG 4.45Å; F283-R334 HydrophobicContact CD2-CB 4.2Å; F283-R334 HydrophobicContact CE1-CB 3.93Å; F283-R334 HydrophobicContact CE1-CG 4.3Å; F283-R334 HydrophobicContact CE2-CB 4.48Å; F283-R334 HydrophobicContact CE2-CG 4.47Å; F283-R334 HydrophobicContact CG-CB 3.77Å; F283-R334 HydrophobicContact CZ-CB 4.36Å; F283-R334 HydrophobicContact CZ-CG 4.33Å; L284-R334 PolarHBondContact N-O 2.92Å; L332-R334 PolarHBondContact O-N 3.49Å; R334-Y361 WeakPolarHBondContact CA-O 3.35Å; R334-M362 HydrophobicContact CG-CG 4.19Å
335	V	98.9	Very high	98.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.9	179.2	-63.8	0	0	0	0	110.8	L284 I286 H324 L327 V328 L332 F360 Y361	L284-V335 WeakPolarHBondContact O-CA 3.43Å; I286-V335 HydrophobicContact CD1-CB 3.85Å; I286-V335 HydrophobicContact CD1-CG1 4.41Å; I286-V335 HydrophobicContact CD1-CG2 4.14Å; I286-V335 HydrophobicContact CG1-CB 4.21Å; I286-V335 HydrophobicContact CG2-CB 4.43Å; I286-V335 HydrophobicContact CG2-CG1 4.25Å; H324-V335 HydrophobicContact CB-CG2 4.05Å; L327-V335 HydrophobicContact CB-CG1 4.44Å; V328-V335 HydrophobicContact CG2-CG2 4.36Å; L332-V335 HydrophobicContact CB-CG1 3.65Å; L332-V335 HydrophobicContact CD1-CG1 4.23Å; V335-F360 CarbonylContact O-C 3.59Å; V335-F360 WeakPolarHBondContact O-CA 3.48Å; V335-F360 WeakPolarHBondContact O-CB 3.29Å; V335-Y361 PolarHBondContact N-O 3.33Å; V335-Y361 VanDerWaalsContact N-O 3.16Å; V335-Y361 PolarHBondContact O-N 3.37Å
336	Y	98.9	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156	170	81.8	-79.4	0	0	0	112.6	R275 L278 D279 F283 L284 E285 I286 I338 E359	R275-Y336 WeakPolarHBondContact CA-OH 3.45Å; R275-Y336 HydrophobicContact CG-CE2 4.14Å; L278-Y336 HydrophobicContact CB-CD1 4.11Å; L278-Y336 HydrophobicContact CB-CE1 4.09Å; L278-Y336 HydrophobicContact CB-CG 4.31Å; L278-Y336 HydrophobicContact CD1-CD1 4.31Å; L278-Y336 HydrophobicContact CD1-CD2 3.61Å; L278-Y336 HydrophobicContact CD1-CE2 4.16Å; L278-Y336 HydrophobicContact CD1-CG 3.67Å; D279-Y336 VanDerWaalsContact OD1-CE1 3.32Å; D279-Y336 WeakPolarHBondContact OD1-CE1 3.23Å; D279-Y336 PolarHBondContact OD1-OH 2.78Å; F283-Y336 HydrophobicContact CB-CD1 3.63Å; F283-Y336 HydrophobicContact CB-CE1 4.18Å; L284-Y336 PolarHBondContact O-N 3.37Å; E285-Y336 WeakPolarHBondContact CA-O 3.36Å; E285-Y336 HydrophobicContact CB-CD1 4.23Å; E285-Y336 HydrophobicContact CB-CE1 3.59Å; E285-Y336 HydrophobicContact CB-CE2 4.16Å; E285-Y336 HydrophobicContact CG-CD2 4.46Å; E285-Y336 HydrophobicContact CG-CE1 4.21Å; E285-Y336 HydrophobicContact CG-CE2 3.84Å; I286-Y336 VanDerWaalsContact CG1-O 3.27Å; I286-Y336 WeakPolarHBondContact CG1-O 3.16Å; I286-Y336 PolarHBondContact N-O 3.16Å; Y336-I338 HydrophobicContact CD2-CG1 4.13Å; Y336-I338 HydrophobicContact CE2-CD1 4.21Å; Y336-I338 HydrophobicContact CE2-CG1 4.1Å; Y336-E359 CarbonylContact C-O 3.45Å; Y336-E359 WeakPolarHBondContact CA-O 3.43Å; Y336-E359 WeakPolarHBondContact CB-O 3.39Å
337	E	98.9	Very high	97.7	Very high	9 Å²	9	45 Å²	45	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	131.3	175.6	-175.2	176.3	167.1	0	0	109.7	I286 T288 R317 H324 C358 E359	I286-E337 HydrophobicContact CG1-CB 4.33Å; I286-E337 WeakPolarHBondContact O-CG 3.34Å; T288-E337 WeakPolarHBondContact CB-OE2 3.34Å; T288-E337 PolarHBondContact N-OE2 2.79Å; T288-E337 PolarHBondContact OG1-OE2 2.69Å; R317-E337 IonicContact CZ-OE1 2.7Å; R317-E337 IonicContact NH1-OE1 2.75Å; R317-E337 PolarHBondContact NH1-OE1 2.97Å; R317-E337 IonicContact NH1-OE2 2.74Å; R317-E337 PolarHBondContact NH1-OE2 3.48Å; R317-E337 IonicContact NH2-OE1 3.76Å; R317-E337 PolarHBondContact NH2-OE1 2.87Å; H324-E337 VanDerWaalsContact CE1-CB 3.43Å; H324-E337 WeakPolarHBondContact CE1-CB 3.48Å; H324-E337 WeakPolarHBondContact NE2-CB 3.49Å; H324-E337 IonicContact NE2-OE2 3.8Å; H324-E337 PolarHBondContact NE2-OE2 3.34Å; E337-C358 WeakPolarHBondContact O-CA 3.36Å; E337-E359 PolarHBondContact N-O 2.84Å; E337-E359 PolarHBondContact O-N 2.91Å
338	I	98.9	Very high	97.5	Very high	23 Å²	23	45.8 Å²	45.8	12%	0.118	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	102.2	168.2	-53.2	-178.4	0	0	0	107.8	I271 L274 R275 Y336 T356 T357 C358	I271-I338 HydrophobicContact CG2-CD1 4.11Å; I271-I338 HydrophobicContact CG2-CG2 4.35Å; L274-I338 HydrophobicContact CB-CD1 4.01Å; R275-I338 HydrophobicContact CG-CD1 3.71Å; Y336-I338 HydrophobicContact CD2-CG1 4.13Å; Y336-I338 HydrophobicContact CE2-CD1 4.21Å; Y336-I338 HydrophobicContact CE2-CG1 4.1Å; I338-T356 HydrophobicContact CG2-CG2 3.94Å; I338-T357 WeakPolarHBondContact CA-O 3.44Å; I338-C358 HydrophobicContact CG1-CB 3.95Å
339	G	98.6	Very high	97.4	Very high	9 Å²	9	50.4 Å²	50.4	9%	0.093	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	170.2	-166.1	0	0	0	0	0	114.4	T356 T357	G339-T356 WeakPolarHBondContact O-CA 3.48Å; G339-T357 PolarHBondContact N-O 2.98Å; G339-T357 PolarHBondContact O-N 3.3Å
340	R	98.8	Very high	97.2	Very high	92 Å²	92	49.7 Å²	49.7	35%	0.347	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	139.4	176.8	-162.5	61.5	50.4	93.6	1.3	110.3	M290 R317 F342 E354 F355	M290-R340 HydrophobicContact CE-CB 4.47Å; R317-R340 PolarHBondContact NE-O 3.4Å; R317-R340 PolarHBondContact NH2-O 2.9Å; R317-R340 VanDerWaalsContact NH2-O 3.09Å; R340-F342 HydrophobicContact CB-CE2 4.13Å; R340-F342 HydrophobicContact CB-CZ 3.93Å; R340-F342 HydrophobicContact CG-CD1 4.4Å; R340-F342 HydrophobicContact CG-CE1 3.7Å; R340-F342 HydrophobicContact CG-CE2 3.98Å; R340-F342 HydrophobicContact CG-CZ 3.46Å; R340-F342 VanDerWaalsContact CG-CZ 3.46Å; R340-E354 HydrophobicContact CG-CB 4.11Å; R340-E354 IonicContact CZ-OE2 2.75Å; R340-E354 IonicContact NH1-OE2 3.84Å; R340-E354 PolarHBondContact NH1-OE2 3.41Å; R340-F355 CarbonylContact C-O 3.48Å; R340-F355 WeakPolarHBondContact CA-O 3.17Å; R340-F355 WeakPolarHBondContact CD-O 3.14Å
341	Q	98.5	Very high	97.1	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	154.2	167.8	-44	-48.5	-32.4	0	0	109	R317 E354 F355 T357	R317-Q341 VanDerWaalsContact NE-OE1 3.09Å; Q341-E354 VanDerWaalsContact O-CA 3.3Å; Q341-E354 WeakPolarHBondContact O-CA 3.5Å; Q341-F355 HydrophobicContact CB-CD2 4.33Å; Q341-F355 HydrophobicContact CB-CE1 4.08Å; Q341-F355 HydrophobicContact CB-CE2 3.78Å; Q341-F355 HydrophobicContact CB-CZ 3.63Å; Q341-F355 HydrophobicContact CG-CE2 4.01Å; Q341-F355 HydrophobicContact CG-CZ 4.31Å; Q341-F355 PolarHBondContact N-O 3.16Å; Q341-F355 PolarHBondContact O-N 2.71Å; Q341-T357 HydrophobicContact CG-CG2 3.76Å; Q341-T357 WeakPolarHBondContact CG-OG1 3.34Å; Q341-T357 PolarHBondContact NE2-OG1 2.82Å
342	F	98.6	Very high	97.1	Very high	34 Å²	34	47.4 Å²	47.4	15%	0.149	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.4	-174.7	-53.7	-90.6	0	0	0	110.6	M290 F303 M316 R317 I318 R340 P353 E354	M290-F342 HydrophobicContact SD-CE2 4.19Å; F303-F342 HydrophobicContact CD2-CB 3.89Å; F303-F342 HydrophobicContact CE2-CB 4.39Å; M316-F342 HydrophobicContact CB-CB 3.79Å; M316-F342 HydrophobicContact CB-CD2 3.86Å; M316-F342 HydrophobicContact CB-CG 3.9Å; M316-F342 HydrophobicContact CE-CD2 4.01Å; M316-F342 HydrophobicContact CE-CE1 4.47Å; M316-F342 HydrophobicContact CE-CE2 3.72Å; M316-F342 HydrophobicContact CE-CZ 3.96Å; R317-F342 PolarHBondContact O-N 3.47Å; I318-F342 WeakPolarHBondContact CG2-O 3.43Å; R340-F342 HydrophobicContact CB-CE2 4.13Å; R340-F342 HydrophobicContact CB-CZ 3.93Å; R340-F342 HydrophobicContact CG-CD1 4.4Å; R340-F342 HydrophobicContact CG-CE1 3.7Å; R340-F342 HydrophobicContact CG-CE2 3.98Å; R340-F342 HydrophobicContact CG-CZ 3.46Å; R340-F342 VanDerWaalsContact CG-CZ 3.46Å; F342-P353 CarbonylContact C-O 3.48Å; F342-P353 VanDerWaalsContact CA-O 3.31Å; F342-P353 WeakPolarHBondContact CA-O 3.49Å; F342-E354 HydrophobicContact CD1-CB 3.79Å; F342-E354 HydrophobicContact CE1-CB 3.95Å
343	R	97.9	Very high	97	Very high	71 Å²	71	45.2 Å²	45.2	27%	0.268	23%	0.233	S	C	.	.			trans	-127.9	125.8	177.4	-66.7	-175.8	-175.1	-176.1	4.4	110.2	A300 F303 I318 E345 P353 F355	A300-R343 HydrophobicContact CB-CB 4.47Å; A300-R343 HydrophobicContact CB-CG 3.7Å; F303-R343 VanDerWaalsContact CE2-C 3.47Å; F303-R343 WeakPolarHBondContact CE2-O 3.31Å; I318-R343 HydrophobicContact CG2-CG 4.5Å; R343-E345 HydrophobicContact CB-CG 4.23Å; R343-E345 WeakPolarHBondContact CD-OE1 3.32Å; R343-E345 PolarHBondContact O-N 2.94Å; R343-P353 PolarHBondContact N-O 3.08Å; R343-P353 WeakPolarHBondContact O-CA 3.26Å; R343-F355 HydrophobicContact CB-CE1 4.19Å; R343-F355 HydrophobicContact CG-CE1 3.73Å; R343-F355 HydrophobicContact CG-CZ 4.09Å
344	N	96.4	Very high	97	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.342	23%	0.232	S	C	.	.			trans	-86.2	64	-178.5	-169.4	6.4	0	0	0	110.3	R301 F303	R301-N344 HydrophobicContact CG-CB 4.25Å; R301-N344 WeakPolarHBondContact O-CB 3.32Å; R301-N344 PolarHBondContact O-N 3.48Å; F303-N344 HydrophobicContact CD1-CB 4.12Å; F303-N344 HydrophobicContact CD2-CB 3.98Å; F303-N344 HydrophobicContact CE1-CB 4.03Å; F303-N344 HydrophobicContact CE2-CB 3.92Å; F303-N344 HydrophobicContact CG-CB 4.1Å; F303-N344 HydrophobicContact CZ-CB 3.93Å
345	E	91.7	Very high	97	Very high	60 Å²	60	42.4 Å²	42.4	28%	0.28	22%	0.221	S	C	.	.			trans	-121.8	-179.7	-173.6	-70.8	166.5	-157.5	0	0	111	A300 R343	A300-E345 WeakPolarHBondContact CB-OE1 3.34Å; R343-E345 HydrophobicContact CB-CG 4.23Å; R343-E345 WeakPolarHBondContact CD-OE1 3.32Å; R343-E345 PolarHBondContact O-N 2.94Å
346	G	90.9	Very high	97	Very high	58 Å²	58	43 Å²	43	60%	0.598	23%	0.225	S	C	*	.			trans	-64.7	156.7	175.3	0	0	0	0	0	113.3
347	I	94.5	Very high	97	Very high	77 Å²	77	43.6 Å²	43.6	40%	0.395	23%	0.228	S	C	.	.			trans	-101.7	124.9	172.9	-58.2	-178.8	0	0	0	108.4	P353 A592	I347-P353 HydrophobicContact CD1-CG 3.93Å; I347-P353 HydrophobicContact CG1-CG 3.88Å; I347-A592 HydrophobicContact CD1-CB 3.85Å
348	D	94.8	Very high	97	Very high	75 Å²	75	43.1 Å²	43.1	40%	0.401	23%	0.226	S	C	.	.			trans	-139	-156.8	176.2	67.9	30	0	0	0	112	T350 H351	D348-T350 VanDerWaalsContact C-N 3.29Å; D348-T350 PolarHBondContact O-N 3.03Å; D348-T350 WeakPolarHBondContact OD1-CA 3.29Å; D348-T350 PolarHBondContact OD1-N 2.99Å; D348-T350 PolarHBondContact OD1-OG1 3.24Å; D348-H351 PolarHBondContact N-O 3.01Å; D348-H351 WeakPolarHBondContact OD1-CB 3.24Å; D348-H351 IonicContact OD1-CG 2.78Å; D348-H351 PolarHBondContact OD1-N 3.25Å; D348-H351 IonicContact OD1-ND1 3.15Å; D348-H351 PolarHBondContact OD1-ND1 2.82Å; D348-H351 IonicContact OD2-CE1 3.41Å; D348-H351 IonicContact OD2-CG 3.77Å; D348-H351 IonicContact OD2-ND1 3.15Å; D348-H351 PolarHBondContact OD2-ND1 3.21Å
349	L	96	Very high	97	Very high	97 Å²	97	42.8 Å²	42.8	51%	0.508	22%	0.224	S	C	.	.	S	Bend	trans	-69.8	-22.9	-179.8	-63.8	-179.6	0	0	0	113.6	N583 I584	L349-N583 HydrophobicContact CD2-CB 4.15Å; L349-N583 WeakPolarHBondContact CD2-ND2 3.3Å; L349-N583 CarbonylContact O-C 3.38Å; L349-N583 WeakPolarHBondContact O-CA 3.32Å; L349-I584 WeakPolarHBondContact O-CB 3.36Å; L349-I584 PolarHBondContact O-N 3.37Å
350	T	95	Very high	97	Very high	20 Å²	20	42.4 Å²	42.4	12%	0.123	22%	0.22	C	C	.	.	S	Bend	trans	-125.5	-6.2	-174.5	48.3	0	0	0	0	113.9	D348 K513 M576 I584	D348-T350 VanDerWaalsContact C-N 3.29Å; D348-T350 PolarHBondContact O-N 3.03Å; D348-T350 WeakPolarHBondContact OD1-CA 3.29Å; D348-T350 PolarHBondContact OD1-N 2.99Å; D348-T350 PolarHBondContact OD1-OG1 3.24Å; T350-K513 HydrophobicContact CG2-CD 4.17Å; T350-K513 HydrophobicContact CG2-CG 4.48Å; T350-M576 HydrophobicContact CG2-CE 4.1Å; T350-I584 WeakPolarHBondContact O-CD1 3.44Å
351	H	97.1	Very high	97	Very high	58 Å²	58	38.2 Å²	38.2	27%	0.269	20%	0.204	S	C	.	.			trans	-119.6	131	-178	-59.4	101.6	0	0	0	111.8	D348 R573	D348-H351 PolarHBondContact N-O 3.01Å; D348-H351 WeakPolarHBondContact OD1-CB 3.24Å; D348-H351 IonicContact OD1-CG 2.78Å; D348-H351 PolarHBondContact OD1-N 3.25Å; D348-H351 IonicContact OD1-ND1 3.15Å; D348-H351 PolarHBondContact OD1-ND1 2.82Å; D348-H351 IonicContact OD2-CE1 3.41Å; D348-H351 IonicContact OD2-CG 3.77Å; D348-H351 IonicContact OD2-ND1 3.15Å; D348-H351 PolarHBondContact OD2-ND1 3.21Å; H351-R573 PolarHBondContact NE2-NH2 2.89Å
352	N	97.6	Very high	97	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.048	21%	0.209	C	C	.	.			trans	-132.9	145.1	170.5	-171.6	82.6	0	0	0	107.8	E354 I584 L588 A592	N352-E354 PolarHBondContact ND2-O 3.01Å; N352-E354 PolarHBondContact O-N 2.92Å; N352-I584 HydrophobicContact CB-CD1 4.2Å; N352-I584 HydrophobicContact CB-CG2 4.47Å; N352-L588 HydrophobicContact CB-CD1 3.65Å; N352-L588 VanDerWaalsContact CG-CD1 3.44Å; N352-A592 PolarHBondContact OD1-N 3.01Å; N352-A592 VanDerWaalsContact OD1-N 3.11Å
353	P	97.4	Very high	97	Very high	26 Å²	26	37.8 Å²	37.8	17%	0.169	20%	0.204	C	C	.	.	S	Bend	trans	-64.4	-21.2	-170.2	-22.5	35	0	0	0	114.1	F303 F342 R343 I347 A592	F303-P353 HydrophobicContact CE2-CB 4.08Å; F303-P353 HydrophobicContact CZ-CB 3.91Å; F342-P353 CarbonylContact C-O 3.48Å; F342-P353 VanDerWaalsContact CA-O 3.31Å; F342-P353 WeakPolarHBondContact CA-O 3.49Å; R343-P353 PolarHBondContact N-O 3.08Å; R343-P353 WeakPolarHBondContact O-CA 3.26Å; I347-P353 HydrophobicContact CD1-CG 3.93Å; I347-P353 HydrophobicContact CG1-CG 3.88Å; P353-A592 HydrophobicContact CG-CB 4.14Å
354	E	98.4	Very high	97.1	Very high	74 Å²	74	42 Å²	42	35%	0.346	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	134	168.3	68.7	174	145.2	0	0	109.5	R340 Q341 F342 N352	R340-E354 HydrophobicContact CG-CB 4.11Å; R340-E354 IonicContact CZ-OE2 2.75Å; R340-E354 IonicContact NH1-OE2 3.84Å; R340-E354 PolarHBondContact NH1-OE2 3.41Å; Q341-E354 VanDerWaalsContact O-CA 3.3Å; Q341-E354 WeakPolarHBondContact O-CA 3.5Å; F342-E354 HydrophobicContact CD1-CB 3.79Å; F342-E354 HydrophobicContact CE1-CB 3.95Å; N352-E354 PolarHBondContact ND2-O 3.01Å; N352-E354 PolarHBondContact O-N 2.92Å
355	F	98.6	Very high	97.2	Very high	32 Å²	32	39.2 Å²	39.2	14%	0.14	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	160.2	-176.5	60.8	-85.2	0	0	0	111.1	R340 Q341 R343 T357	R340-F355 CarbonylContact C-O 3.48Å; R340-F355 WeakPolarHBondContact CA-O 3.17Å; R340-F355 WeakPolarHBondContact CD-O 3.14Å; Q341-F355 HydrophobicContact CB-CD2 4.33Å; Q341-F355 HydrophobicContact CB-CE1 4.08Å; Q341-F355 HydrophobicContact CB-CE2 3.78Å; Q341-F355 HydrophobicContact CB-CZ 3.63Å; Q341-F355 HydrophobicContact CG-CE2 4.01Å; Q341-F355 HydrophobicContact CG-CZ 4.31Å; Q341-F355 PolarHBondContact N-O 3.16Å; Q341-F355 PolarHBondContact O-N 2.71Å; R343-F355 HydrophobicContact CB-CE1 4.19Å; R343-F355 HydrophobicContact CG-CE1 3.73Å; R343-F355 HydrophobicContact CG-CZ 4.09Å; F355-T357 HydrophobicContact CD2-CG2 3.89Å; F355-T357 HydrophobicContact CE2-CG2 3.6Å
356	T	98.9	Very high	97.5	Very high	12 Å²	12	37.8 Å²	37.8	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.2	-173.2	-52.2	0	0	0	0	110.5	R267 I338 G339 I571 D572	R267-T356 PolarHBondContact NH2-OG1 3.21Å; R267-T356 VanDerWaalsContact NH2-OG1 3.16Å; I338-T356 HydrophobicContact CG2-CG2 3.94Å; G339-T356 WeakPolarHBondContact O-CA 3.48Å; T356-I571 HydrophobicContact CG2-CB 4.2Å; T356-I571 HydrophobicContact CG2-CG1 3.93Å; T356-I571 WeakPolarHBondContact O-CB 3.3Å; T356-I571 WeakPolarHBondContact O-CG1 3.49Å; T356-I571 PolarHBondContact O-N 3.28Å; T356-D572 PolarHBondContact N-OD2 2.8Å
357	T	98.9	Very high	97.9	Very high	13 Å²	13	35.4 Å²	35.4	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	153.3	168.9	62.8	0	0	0	0	110.6	I338 G339 Q341 F355 E359 M569	I338-T357 WeakPolarHBondContact CA-O 3.44Å; G339-T357 PolarHBondContact N-O 2.98Å; G339-T357 PolarHBondContact O-N 3.3Å; Q341-T357 HydrophobicContact CG-CG2 3.76Å; Q341-T357 WeakPolarHBondContact CG-OG1 3.34Å; Q341-T357 PolarHBondContact NE2-OG1 2.82Å; F355-T357 HydrophobicContact CD2-CG2 3.89Å; F355-T357 HydrophobicContact CE2-CG2 3.6Å; T357-E359 PolarHBondContact OG1-OE1 3.26Å; T357-M569 CarbonylContact C-O 3.51Å; T357-M569 WeakPolarHBondContact CA-O 3.38Å
358	C	98.9	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.2	156.2	174.8	0	0	0	0	106.9	L274 E337 I338 W567 G568 M569 I571	L274-C358 HydrophobicContact CD1-CB 4.41Å; E337-C358 WeakPolarHBondContact O-CA 3.36Å; I338-C358 HydrophobicContact CG1-CB 3.95Å; C358-W567 HydrophobicContact CB-CZ3 4.21Å; C358-W567 WeakPolarHBondContact O-CZ3 3.31Å; C358-G568 CarbonylContact O-C 3.57Å; C358-G568 VanDerWaalsContact O-CA 3.32Å; C358-G568 WeakPolarHBondContact O-CA 3.21Å; C358-M569 PolarHBondContact N-O 2.8Å; C358-M569 PolarHBondContact O-N 2.8Å; C358-I571 HydrophobicContact CB-CD1 3.88Å
359	E	98.9	Very high	98.3	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.2	172.2	-79.4	170.1	-129.6	0	0	110	P320 E321 Y336 E337 T357 Y361 W567	P320-E359 VanDerWaalsContact CD-CD 3.46Å; P320-E359 VanDerWaalsContact CD-OE1 3.3Å; P320-E359 WeakPolarHBondContact CD-OE1 3.44Å; P320-E359 WeakPolarHBondContact CD-OE2 3.5Å; P320-E359 HydrophobicContact CG-CB 4.21Å; P320-E359 HydrophobicContact CG-CG 4.5Å; P320-E359 VanDerWaalsContact CG-OE2 3.29Å; P320-E359 WeakPolarHBondContact CG-OE2 3.27Å; E321-E359 PolarHBondContact N-OE2 2.96Å; Y336-E359 CarbonylContact C-O 3.45Å; Y336-E359 WeakPolarHBondContact CA-O 3.43Å; Y336-E359 WeakPolarHBondContact CB-O 3.39Å; E337-E359 PolarHBondContact N-O 2.84Å; E337-E359 PolarHBondContact O-N 2.91Å; T357-E359 PolarHBondContact OG1-OE1 3.26Å; E359-Y361 HydrophobicContact CB-CE2 4.34Å; E359-W567 CarbonylContact C-O 3.5Å; E359-W567 WeakPolarHBondContact CA-O 3.44Å
360	F	98.9	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.7	174.3	74	-104	0	0	0	111.5	L278 F283 V335 L370 I373 G566 W567	L278-F360 HydrophobicContact CD1-CB 4.45Å; L278-F360 HydrophobicContact CD1-CD1 4.27Å; L278-F360 HydrophobicContact CD2-CD1 3.9Å; L278-F360 HydrophobicContact CD2-CE1 4.24Å; L278-F360 HydrophobicContact CD2-CG 4.17Å; F283-F360 HydrophobicContact CD1-CB 4.06Å; F283-F360 HydrophobicContact CD1-CD2 4.5Å; F283-F360 HydrophobicContact CE1-CB 3.83Å; F283-F360 AromaticContact CE1-CD2 3.5Å; F283-F360 HydrophobicContact CE1-CD2 3.5Å; F283-F360 VanDerWaalsContact CE1-CD2 3.5Å; F283-F360 HydrophobicContact CE1-CE2 4.37Å; F283-F360 AromaticContact CE1-CG 3.96Å; F283-F360 HydrophobicContact CE1-CG 3.96Å; F283-F360 AromaticContact CZ-CD2 3.68Å; F283-F360 HydrophobicContact CZ-CD2 3.68Å; F283-F360 HydrophobicContact CZ-CE2 4.11Å; F283-F360 HydrophobicContact CZ-CG 4.37Å; V335-F360 CarbonylContact O-C 3.59Å; V335-F360 WeakPolarHBondContact O-CA 3.48Å; V335-F360 WeakPolarHBondContact O-CB 3.29Å; F360-L370 HydrophobicContact CE2-CD2 3.55Å; F360-L370 HydrophobicContact CZ-CD2 3.95Å; F360-I373 HydrophobicContact CZ-CG2 4.13Å; F360-G566 WeakPolarHBondContact O-CA 3.47Å; F360-W567 HydrophobicContact CD1-CB 3.99Å; F360-W567 AromaticContact CD1-CD2 3.92Å; F360-W567 HydrophobicContact CD1-CD2 3.92Å; F360-W567 AromaticContact CD1-CE3 3.42Å; F360-W567 HydrophobicContact CD1-CE3 3.42Å; F360-W567 VanDerWaalsContact CD1-CE3 3.42Å; F360-W567 HydrophobicContact CD1-CG 4.19Å; F360-W567 AromaticContact CD1-CZ3 3.99Å; F360-W567 HydrophobicContact CD1-CZ3 3.99Å; F360-W567 HydrophobicContact CD2-CB 4.22Å; F360-W567 HydrophobicContact CE1-CB 3.58Å; F360-W567 AromaticContact CE1-CD2 3.34Å; F360-W567 HydrophobicContact CE1-CD2 3.34Å; F360-W567 AromaticContact CE1-CE3 3.32Å; F360-W567 HydrophobicContact CE1-CE3 3.32Å; F360-W567 AromaticContact CE1-CG 3.49Å; F360-W567 HydrophobicContact CE1-CG 3.49Å; F360-W567 VanDerWaalsContact CE1-CG 3.49Å; F360-W567 HydrophobicContact CE1-CH2 4.48Å; F360-W567 AromaticContact CE1-CZ3 3.94Å; F360-W567 HydrophobicContact CE1-CZ3 3.94Å; F360-W567 HydrophobicContact CE2-CB 3.84Å; F360-W567 HydrophobicContact CE2-CG 4.48Å; F360-W567 HydrophobicContact CG-CB 4.29Å; F360-W567 HydrophobicContact CZ-CB 3.49Å; F360-W567 VanDerWaalsContact CZ-CB 3.49Å; F360-W567 HydrophobicContact CZ-CD2 4.02Å; F360-W567 HydrophobicContact CZ-CE3 4.37Å; F360-W567 AromaticContact CZ-CG 3.66Å; F360-W567 HydrophobicContact CZ-CG 3.66Å; F360-W567 PolarHBondContact N-O 3.48Å; F360-W567 PolarHBondContact O-N 3.17Å
361	Y	98.9	Very high	98.6	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.02	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.6	-179.7	-69.4	-101.4	0	0	0	109.3	F283 E321 H324 K325 R334 V335 E359 E521 T564	F283-Y361 WeakPolarHBondContact CE1-O 3.44Å; E321-Y361 WeakPolarHBondContact CA-OH 3.49Å; E321-Y361 WeakPolarHBondContact CB-OH 3.45Å; E321-Y361 HydrophobicContact CG-CE1 4.22Å; E321-Y361 WeakPolarHBondContact CG-OH 3.49Å; H324-Y361 HydrophobicContact CB-CD1 4.5Å; H324-Y361 HydrophobicContact CB-CD2 3.16Å; H324-Y361 HydrophobicContact CB-CE2 3.44Å; H324-Y361 VanDerWaalsContact CB-CE2 3.44Å; H324-Y361 HydrophobicContact CB-CG 3.78Å; H324-Y361 AromaticContact CG-CD2 3.58Å; H324-Y361 AromaticContact CG-CE2 3.71Å; H324-Y361 AromaticContact ND1-CD2 3.28Å; H324-Y361 VanDerWaalsContact ND1-CD2 3.28Å; H324-Y361 WeakPolarHBondContact ND1-CD2 3.4Å; H324-Y361 AromaticContact ND1-CE2 3.55Å; K325-Y361 HydrophobicContact CD-CE1 4.48Å; K325-Y361 HydrophobicContact CG-CD1 3.93Å; K325-Y361 HydrophobicContact CG-CE1 3.93Å; R334-Y361 WeakPolarHBondContact CA-O 3.35Å; V335-Y361 PolarHBondContact N-O 3.33Å; V335-Y361 VanDerWaalsContact N-O 3.16Å; V335-Y361 PolarHBondContact O-N 3.37Å; E359-Y361 HydrophobicContact CB-CE2 4.34Å; Y361-E521 HydrophobicContact CD1-CG 4.11Å; Y361-E521 HydrophobicContact CE1-CG 4.19Å; Y361-E521 WeakPolarHBondContact CE1-OE1 3.49Å; Y361-T564 HydrophobicContact CD1-CG2 4.42Å
362	M	98.9	Very high	98.7	Very high	23 Å²	23	33 Å²	33	11%	0.113	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	108.2	-172.9	-173.4	172	173.4	0	0	110	F283 R334 A365 I373 T564 A565	F283-M362 HydrophobicContact CE1-CB 4.14Å; F283-M362 HydrophobicContact CE2-SD 4.38Å; F283-M362 HydrophobicContact CZ-CB 3.9Å; F283-M362 HydrophobicContact CZ-CG 4.06Å; F283-M362 HydrophobicContact CZ-SD 3.9Å; R334-M362 HydrophobicContact CG-CG 4.19Å; M362-A365 HydrophobicContact CB-CB 4.09Å; M362-A365 HydrophobicContact CG-CB 3.9Å; M362-A365 PolarHBondContact O-N 2.95Å; M362-A365 HydrophobicContact SD-CB 4.11Å; M362-I373 HydrophobicContact SD-CD1 3.83Å; M362-T564 WeakPolarHBondContact O-CA 3.44Å; M362-A565 PolarHBondContact N-O 2.98Å; M362-A565 PolarHBondContact O-N 3.39Å; M362-A565 VanDerWaalsContact O-N 3.11Å
363	A	98.9	Very high	98.8	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.033	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	145.5	172	0	0	0	0	0	110.3	V328 D333 A365 P562	V328-A363 HydrophobicContact CG1-CB 3.98Å; D333-A363 HydrophobicContact CB-CB 3.91Å; D333-A363 WeakPolarHBondContact O-CB 3.44Å; D333-A363 PolarHBondContact O-N 2.77Å; A363-A365 PolarHBondContact O-N 3.42Å; A363-P562 HydrophobicContact CB-CB 4.48Å
364	Y	98.8	Very high	98.8	Very high	159 Å²	159	31.9 Å²	31.9	62%	0.624	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	12	-178.5	-39.9	-72.4	0	0	0	115.6	P562 P563	Y364-P562 HydrophobicContact CE1-CB 4.03Å; Y364-P563 VanDerWaalsContact CA-O 3.3Å; Y364-P563 WeakPolarHBondContact CA-O 3.39Å; Y364-P563 PolarHBondContact N-O 2.82Å
365	A	98.9	Very high	98.9	Very high	6 Å²	6	29.1 Å²	29.1	5%	0.05	14%	0.137	C	C	.	.			trans	-97.9	155.2	169.8	0	0	0	0	0	111.3	M362 A363 D369 T564 A565	M362-A365 HydrophobicContact CB-CB 4.09Å; M362-A365 HydrophobicContact CG-CB 3.9Å; M362-A365 PolarHBondContact O-N 2.95Å; M362-A365 HydrophobicContact SD-CB 4.11Å; A363-A365 PolarHBondContact O-N 3.42Å; A365-D369 VanDerWaalsContact CA-OD2 3.32Å; A365-D369 WeakPolarHBondContact CA-OD2 3.37Å; A365-D369 HydrophobicContact CB-CB 4.11Å; A365-T564 CarbonylContact O-C 3.6Å; A365-A565 HydrophobicContact CB-CB 4.1Å; A365-A565 WeakPolarHBondContact O-CB 3.32Å; A365-A565 PolarHBondContact O-N 2.81Å
366	D	98.9	Very high	98.9	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.16	16%	0.157	C	C	.	.			trans	-115.1	176	163.1	76.9	19.5	0	0	0	111.7	H368 D369 L370 R497	D366-H368 PolarHBondContact O-N 3.2Å; D366-H368 WeakPolarHBondContact OD1-CA 3.43Å; D366-H368 VanDerWaalsContact OD1-CB 3.24Å; D366-H368 WeakPolarHBondContact OD1-CB 3.38Å; D366-H368 IonicContact OD1-CD2 3.39Å; D366-H368 IonicContact OD1-CG 3.93Å; D366-H368 PolarHBondContact OD1-N 2.62Å; D366-H368 IonicContact OD2-CD2 3.74Å; D366-D369 PolarHBondContact N-OD2 3.09Å; D366-D369 WeakPolarHBondContact O-CB 3.24Å; D366-D369 PolarHBondContact O-N 2.86Å; D366-D369 PolarHBondContact OD1-N 3.36Å; D366-L370 PolarHBondContact O-N 2.76Å; D366-R497 IonicContact OD2-CZ 2.69Å; D366-R497 IonicContact OD2-NH1 3.97Å; D366-R497 PolarHBondContact OD2-NH1 2.88Å; D366-R497 IonicContact OD2-NH2 2.73Å; D366-R497 PolarHBondContact OD2-NH2 3.45Å
367	Y	98.8	Very high	98.9	Very high	7 Å²	7	34.2 Å²	34.2	3%	0.027	15%	0.153	C	C	.	.	H	α-helix	trans	-62.1	-21.2	-179.3	84.4	-44.4	0	0	0	114.6	L370 M371 D484 H496 E504 F506 T520	Y367-L370 PolarHBondContact O-N 3.19Å; Y367-M371 HydrophobicContact CD2-CE 3.57Å; Y367-M371 HydrophobicContact CE2-CE 3.57Å; Y367-M371 HydrophobicContact CG-CE 4.27Å; Y367-M371 WeakPolarHBondContact O-CG 3.5Å; Y367-M371 PolarHBondContact O-N 2.94Å; Y367-D484 PolarHBondContact OH-OD1 3.09Å; Y367-H496 PolarHBondContact OH-NE2 2.99Å; Y367-E504 WeakPolarHBondContact CB-O 3.23Å; Y367-E504 HydrophobicContact CD1-CB 3.7Å; Y367-E504 HydrophobicContact CD1-CG 4.29Å; Y367-E504 HydrophobicContact CD2-CB 4.18Å; Y367-E504 HydrophobicContact CE1-CB 3.84Å; Y367-E504 HydrophobicContact CE1-CG 4.03Å; Y367-E504 HydrophobicContact CE2-CB 4.31Å; Y367-E504 HydrophobicContact CG-CB 3.89Å; Y367-F506 HydrophobicContact CD2-CD1 4.14Å; Y367-F506 WeakPolarHBondContact O-CE1 3.42Å; Y367-T520 PolarHBondContact N-OG1 3.31Å; Y367-T520 VanDerWaalsContact N-OG1 3.08Å
368	H	98.8	Very high	98.9	Very high	84 Å²	84	33.6 Å²	33.6	39%	0.389	15%	0.15	S	C	.	.	H	α-helix	trans	-71.6	-42.2	174.8	-61.7	-54.6	0	0	0	110.8	D366 L370 M371 E372	D366-H368 PolarHBondContact O-N 3.2Å; D366-H368 WeakPolarHBondContact OD1-CA 3.43Å; D366-H368 VanDerWaalsContact OD1-CB 3.24Å; D366-H368 WeakPolarHBondContact OD1-CB 3.38Å; D366-H368 IonicContact OD1-CD2 3.39Å; D366-H368 IonicContact OD1-CG 3.93Å; D366-H368 PolarHBondContact OD1-N 2.62Å; D366-H368 IonicContact OD2-CD2 3.74Å; H368-L370 PolarHBondContact O-N 2.99Å; H368-M371 WeakPolarHBondContact O-CB 3.27Å; H368-M371 PolarHBondContact O-N 3.5Å; H368-M371 VanDerWaalsContact O-N 3.11Å; H368-E372 PolarHBondContact O-N 3.42Å
369	D	98.9	Very high	98.8	Very high	67 Å²	67	34 Å²	34	36%	0.358	15%	0.152	S	C	.	.	H	α-helix	trans	-57.1	-42.1	172.3	-60.6	-51.8	0	0	0	110.4	A365 D366 M371 E372 I373	A365-D369 VanDerWaalsContact CA-OD2 3.32Å; A365-D369 WeakPolarHBondContact CA-OD2 3.37Å; A365-D369 HydrophobicContact CB-CB 4.11Å; D366-D369 PolarHBondContact N-OD2 3.09Å; D366-D369 WeakPolarHBondContact O-CB 3.24Å; D366-D369 PolarHBondContact O-N 2.86Å; D366-D369 PolarHBondContact OD1-N 3.36Å; D369-M371 VanDerWaalsContact C-N 3.35Å; D369-M371 PolarHBondContact O-N 2.93Å; D369-E372 PolarHBondContact O-N 3.29Å; D369-I373 VanDerWaalsContact O-CG1 3.3Å; D369-I373 WeakPolarHBondContact O-CG1 3.42Å; D369-I373 PolarHBondContact O-N 2.89Å
370	L	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.2	-32.2	177.8	-65.1	-168.2	0	0	0	113.3	F360 D366 Y367 H368 I373 T374 F506 A518 A565 G566 W567	F360-L370 HydrophobicContact CE2-CD2 3.55Å; F360-L370 HydrophobicContact CZ-CD2 3.95Å; D366-L370 PolarHBondContact O-N 2.76Å; Y367-L370 PolarHBondContact O-N 3.19Å; H368-L370 PolarHBondContact O-N 2.99Å; L370-I373 HydrophobicContact CD2-CD1 4.24Å; L370-T374 WeakPolarHBondContact O-CB 3.4Å; L370-T374 PolarHBondContact O-N 3.41Å; L370-T374 PolarHBondContact O-OG1 2.91Å; L370-F506 HydrophobicContact CB-CE1 3.75Å; L370-F506 HydrophobicContact CB-CZ 4.03Å; L370-A518 HydrophobicContact CD1-CB 4.06Å; L370-A565 HydrophobicContact CD1-CB 3.39Å; L370-A565 HydrophobicContact CD2-CB 4.27Å; L370-A565 HydrophobicContact CG-CB 3.65Å; L370-G566 WeakPolarHBondContact CD1-O 3.18Å; L370-W567 HydrophobicContact CD1-CB 4.15Å
371	M	98.9	Very high	98.8	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.034	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-45	172.5	-69.5	-179.7	-157.4	0	0	111	Y367 H368 D369 T374 E375 F481 C483 F506	Y367-M371 HydrophobicContact CD2-CE 3.57Å; Y367-M371 HydrophobicContact CE2-CE 3.57Å; Y367-M371 HydrophobicContact CG-CE 4.27Å; Y367-M371 WeakPolarHBondContact O-CG 3.5Å; Y367-M371 PolarHBondContact O-N 2.94Å; H368-M371 WeakPolarHBondContact O-CB 3.27Å; H368-M371 PolarHBondContact O-N 3.5Å; H368-M371 VanDerWaalsContact O-N 3.11Å; D369-M371 VanDerWaalsContact C-N 3.35Å; D369-M371 PolarHBondContact O-N 2.93Å; M371-T374 PolarHBondContact O-N 3.21Å; M371-E375 WeakPolarHBondContact O-CG 3.31Å; M371-E375 PolarHBondContact O-N 2.92Å; M371-F481 HydrophobicContact CB-CE1 4.44Å; M371-F481 HydrophobicContact CB-CE2 4.16Å; M371-F481 HydrophobicContact CB-CZ 4.02Å; M371-F481 HydrophobicContact CG-CD1 4.32Å; M371-F481 HydrophobicContact CG-CE1 4.19Å; M371-F481 HydrophobicContact CG-CE2 4.37Å; M371-F481 HydrophobicContact CG-CG 4.47Å; M371-F481 HydrophobicContact CG-CZ 4.22Å; M371-C483 HydrophobicContact CE-CB 4.47Å; M371-C483 VanDerWaalsContact CE-SG 3.52Å; M371-F506 HydrophobicContact CB-CE1 4.48Å; M371-F506 HydrophobicContact CE-CB 3.97Å; M371-F506 HydrophobicContact CE-CD1 3.72Å; M371-F506 HydrophobicContact CE-CG 4.14Å; M371-F506 HydrophobicContact CG-CD1 3.6Å; M371-F506 HydrophobicContact CG-CE1 3.61Å; M371-F506 HydrophobicContact CG-CG 4.19Å; M371-F506 HydrophobicContact CG-CZ 4.2Å
372	E	98.9	Very high	98.8	Very high	119 Å²	119	33.9 Å²	33.9	56%	0.556	16%	0.157	S	C	*	.	H	α-helix	trans	-64.5	-42.5	177.8	-64.7	-171.4	-173.8	0	0	112	H368 D369 T374 E375 R376	H368-E372 PolarHBondContact O-N 3.42Å; D369-E372 PolarHBondContact O-N 3.29Å; E372-T374 VanDerWaalsContact C-N 3.34Å; E372-E375 PolarHBondContact O-N 2.84Å; E372-R376 WeakPolarHBondContact O-CB 3.32Å; E372-R376 WeakPolarHBondContact O-CG 3.42Å; E372-R376 PolarHBondContact O-N 2.96Å
373	I	98.9	Very high	98.8	Very high	11 Å²	11	37.6 Å²	37.6	6%	0.056	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-44.6	175.2	-69	166.5	0	0	0	110.1	F277 M281 F360 M362 D369 L370 R376 L377	F277-I373 HydrophobicContact CE1-CG2 4Å; F277-I373 HydrophobicContact CZ-CG2 4.41Å; M281-I373 HydrophobicContact CE-CD1 3.84Å; M281-I373 HydrophobicContact CE-CG1 4Å; M281-I373 HydrophobicContact CE-CG2 4.42Å; M281-I373 HydrophobicContact SD-CG2 4.45Å; F360-I373 HydrophobicContact CZ-CG2 4.13Å; M362-I373 HydrophobicContact SD-CD1 3.83Å; D369-I373 VanDerWaalsContact O-CG1 3.3Å; D369-I373 WeakPolarHBondContact O-CG1 3.42Å; D369-I373 PolarHBondContact O-N 2.89Å; L370-I373 HydrophobicContact CD2-CD1 4.24Å; I373-R376 PolarHBondContact O-N 2.87Å; I373-L377 WeakPolarHBondContact O-CB 3.39Å; I373-L377 PolarHBondContact O-N 3.02Å
374	T	98.9	Very high	98.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-44.8	179.3	-60.8	0	0	0	0	111.6	L370 M371 E372 L377 L378 F481 L508 W567	L370-T374 WeakPolarHBondContact O-CB 3.4Å; L370-T374 PolarHBondContact O-N 3.41Å; L370-T374 PolarHBondContact O-OG1 2.91Å; M371-T374 PolarHBondContact O-N 3.21Å; E372-T374 VanDerWaalsContact C-N 3.34Å; T374-L377 PolarHBondContact O-N 2.99Å; T374-L378 HydrophobicContact CG2-CD1 3.76Å; T374-L378 HydrophobicContact CG2-CG 4.31Å; T374-L378 WeakPolarHBondContact O-CB 3.15Å; T374-L378 WeakPolarHBondContact O-CG 3.37Å; T374-L378 PolarHBondContact O-N 3.18Å; T374-F481 HydrophobicContact CG2-CE1 3.98Å; T374-F481 HydrophobicContact CG2-CZ 4.07Å; T374-L508 HydrophobicContact CG2-CD2 3.69Å; T374-W567 PolarHBondContact OG1-NE1 3.19Å
375	E	98.9	Very high	98.7	Very high	17 Å²	17	37.4 Å²	37.4	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-47.7	175.6	-78.2	174	169.6	0	0	111.6	M371 E372 S379 P409 F411 R413 F481	M371-E375 WeakPolarHBondContact O-CG 3.31Å; M371-E375 PolarHBondContact O-N 2.92Å; E372-E375 PolarHBondContact O-N 2.84Å; E375-S379 WeakPolarHBondContact O-CB 3.21Å; E375-S379 PolarHBondContact O-N 2.78Å; E375-S379 PolarHBondContact O-OG 2.85Å; E375-P409 HydrophobicContact CB-CB 4.17Å; E375-P409 HydrophobicContact CG-CB 4.46Å; E375-F411 HydrophobicContact CB-CE2 4.39Å; E375-F411 HydrophobicContact CG-CB 4.23Å; E375-F411 HydrophobicContact CG-CD1 4.33Å; E375-F411 HydrophobicContact CG-CD2 3.6Å; E375-F411 HydrophobicContact CG-CE2 3.96Å; E375-F411 HydrophobicContact CG-CG 3.8Å; E375-F411 HydrophobicContact CG-CZ 4.45Å; E375-F411 PolarHBondContact OE1-N 2.86Å; E375-R413 IonicContact OE1-CZ 3.09Å; E375-R413 IonicContact OE1-NE 3.2Å; E375-R413 IonicContact OE1-NH2 3.88Å; E375-R413 PolarHBondContact OE1-NH2 2.86Å; E375-R413 IonicContact OE2-NH2 3.99Å; E375-R413 PolarHBondContact OE2-NH2 3.33Å; E375-F481 HydrophobicContact CG-CE2 3.83Å; E375-F481 HydrophobicContact CG-CZ 4.06Å
376	R	98.8	Very high	98.6	Very high	150 Å²	150	40.1 Å²	40.1	57%	0.566	19%	0.193	S	C	*	.	H	α-helix	trans	-65.3	-44.4	178.7	-72.5	172.3	59.2	-156.6	-6	112.2	F277 E372 I373 G380	F277-R376 HydrophobicContact CZ-CB 4.41Å; E372-R376 WeakPolarHBondContact O-CB 3.32Å; E372-R376 WeakPolarHBondContact O-CG 3.42Å; E372-R376 PolarHBondContact O-N 2.96Å; I373-R376 PolarHBondContact O-N 2.87Å; R376-G380 PolarHBondContact O-N 2.83Å; R376-G380 VanDerWaalsContact O-N 3.14Å
377	L	98.7	Very high	98.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-55.7	179.8	170.7	58.9	0	0	0	110.7	Y273 L274 F277 I373 T374 M381 W567	Y273-L377 HydrophobicContact CD1-CD1 4.17Å; Y273-L377 HydrophobicContact CE1-CD1 4.01Å; L274-L377 HydrophobicContact CD2-CD1 3.89Å; L274-L377 HydrophobicContact CD2-CD2 3.79Å; L274-L377 HydrophobicContact CD2-CG 4.3Å; F277-L377 HydrophobicContact CB-CD1 3.95Å; F277-L377 HydrophobicContact CD1-CB 4.31Å; F277-L377 HydrophobicContact CD1-CD1 3.68Å; F277-L377 HydrophobicContact CD1-CG 4.4Å; F277-L377 HydrophobicContact CD2-CD1 4.08Å; F277-L377 HydrophobicContact CE1-CB 3.87Å; F277-L377 HydrophobicContact CE1-CD1 4.14Å; F277-L377 HydrophobicContact CE1-CG 4.42Å; F277-L377 HydrophobicContact CE2-CB 4.23Å; F277-L377 HydrophobicContact CG-CD1 3.64Å; F277-L377 HydrophobicContact CZ-CB 3.82Å; I373-L377 WeakPolarHBondContact O-CB 3.39Å; I373-L377 PolarHBondContact O-N 3.02Å; T374-L377 PolarHBondContact O-N 2.99Å; L377-M381 HydrophobicContact CD1-CE 4.02Å; L377-M381 VanDerWaalsContact O-CB 3.24Å; L377-M381 WeakPolarHBondContact O-CB 3.39Å; L377-M381 PolarHBondContact O-N 3.27Å; L377-W567 HydrophobicContact CD2-CH2 3.99Å; L377-W567 HydrophobicContact CD2-CZ2 4.14Å
378	L	98.6	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-72.4	-47.5	-173	-67.9	179.6	0	0	0	112.3	T374 G380 M381 V382 F411 L508 I515 M569 L574	T374-L378 HydrophobicContact CG2-CD1 3.76Å; T374-L378 HydrophobicContact CG2-CG 4.31Å; T374-L378 WeakPolarHBondContact O-CB 3.15Å; T374-L378 WeakPolarHBondContact O-CG 3.37Å; T374-L378 PolarHBondContact O-N 3.18Å; L378-G380 VanDerWaalsContact C-N 3.3Å; L378-G380 PolarHBondContact O-N 2.86Å; L378-M381 PolarHBondContact O-N 2.92Å; L378-V382 VanDerWaalsContact O-CG2 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.36Å; L378-V382 PolarHBondContact O-N 2.86Å; L378-F411 HydrophobicContact CB-CE2 4.36Å; L378-F411 HydrophobicContact CB-CZ 4.33Å; L378-F411 HydrophobicContact CD1-CE2 4.38Å; L378-L508 HydrophobicContact CD1-CD2 3.15Å; L378-I515 HydrophobicContact CD1-CD1 3.85Å; L378-M569 HydrophobicContact CD2-SD 3.79Å; L378-L574 HydrophobicContact CD2-CD1 4.44Å; L378-L574 HydrophobicContact CD2-CD2 4.05Å
379	S	98.6	Very high	98.5	Very high	8 Å²	8	42.3 Å²	42.3	6%	0.056	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-40.8	178.9	67.2	0	0	0	0	111.7	E375 K383 Y389 F407	E375-S379 WeakPolarHBondContact O-CB 3.21Å; E375-S379 PolarHBondContact O-N 2.78Å; E375-S379 PolarHBondContact O-OG 2.85Å; S379-K383 WeakPolarHBondContact O-CB 3.3Å; S379-K383 PolarHBondContact O-N 3.44Å; S379-K383 VanDerWaalsContact O-N 3.1Å; S379-Y389 WeakPolarHBondContact O-CD1 3.27Å; S379-Y389 VanDerWaalsContact O-CE1 3.27Å; S379-Y389 WeakPolarHBondContact O-CE1 3.26Å; S379-F407 WeakPolarHBondContact CB-O 3.22Å
380	G	98.8	Very high	98.5	Very high	18 Å²	18	44.2 Å²	44.2	19%	0.186	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-44.9	175.3	0	0	0	0	0	112.6	Y273 R376 L378 K383 H384	Y273-G380 WeakPolarHBondContact OH-CA 3.49Å; R376-G380 PolarHBondContact O-N 2.83Å; R376-G380 VanDerWaalsContact O-N 3.14Å; L378-G380 VanDerWaalsContact C-N 3.3Å; L378-G380 PolarHBondContact O-N 2.86Å; G380-K383 PolarHBondContact O-N 2.98Å; G380-H384 VanDerWaalsContact O-CB 3.28Å; G380-H384 WeakPolarHBondContact O-CB 3.24Å; G380-H384 PolarHBondContact O-N 2.63Å
381	M	98.7	Very high	98.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-48.5	178.5	-174.7	-169.9	-58.4	0	0	111.7	I270 Y273 L274 L377 L378 K383 H384 I385 L574	I270-M381 HydrophobicContact CB-SD 4.19Å; I270-M381 HydrophobicContact CG1-SD 4.07Å; I270-M381 HydrophobicContact CG2-CE 4.38Å; I270-M381 HydrophobicContact CG2-SD 3.81Å; Y273-M381 HydrophobicContact CD1-CB 3.59Å; Y273-M381 HydrophobicContact CD1-CE 3.81Å; Y273-M381 HydrophobicContact CD1-CG 3.74Å; Y273-M381 HydrophobicContact CE1-CB 3.59Å; Y273-M381 HydrophobicContact CE1-CG 4.25Å; Y273-M381 HydrophobicContact CG-CB 4.14Å; Y273-M381 HydrophobicContact CG-CG 3.91Å; Y273-M381 PolarHBondContact OH-N 2.82Å; L274-M381 HydrophobicContact CD1-CE 4.25Å; L274-M381 HydrophobicContact CD2-CE 3.86Å; L274-M381 HydrophobicContact CG-CE 3.6Å; L377-M381 HydrophobicContact CD1-CE 4.02Å; L377-M381 VanDerWaalsContact O-CB 3.24Å; L377-M381 WeakPolarHBondContact O-CB 3.39Å; L377-M381 PolarHBondContact O-N 3.27Å; L378-M381 PolarHBondContact O-N 2.92Å; M381-K383 PolarHBondContact O-N 3.27Å; M381-H384 PolarHBondContact O-N 2.8Å; M381-I385 HydrophobicContact CG-CD1 3.7Å; M381-I385 HydrophobicContact CG-CG1 4.42Å; M381-I385 WeakPolarHBondContact O-CB 3.16Å; M381-I385 WeakPolarHBondContact O-CG1 3.01Å; M381-I385 PolarHBondContact O-N 2.99Å; M381-I385 HydrophobicContact SD-CD1 4.36Å; M381-L574 HydrophobicContact CE-CD2 4.26Å; M381-L574 HydrophobicContact SD-CD2 3.67Å
382	V	98.6	Very high	98.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-50.6	179.7	175.4	0	0	0	0	109.6	L378 H384 I385 T386 G388 V391 F407 L578	L378-V382 VanDerWaalsContact O-CG2 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.36Å; L378-V382 PolarHBondContact O-N 2.86Å; V382-H384 VanDerWaalsContact C-N 3.32Å; V382-H384 PolarHBondContact O-N 2.8Å; V382-I385 PolarHBondContact O-N 3.36Å; V382-T386 HydrophobicContact CG1-CG2 4.39Å; V382-T386 PolarHBondContact O-N 2.8Å; V382-T386 PolarHBondContact O-OG1 2.98Å; V382-G388 CarbonylContact C-O 3.59Å; V382-V391 HydrophobicContact CG1-CG2 3.63Å; V382-F407 HydrophobicContact CB-CB 4.34Å; V382-F407 HydrophobicContact CB-CD2 4.49Å; V382-F407 HydrophobicContact CB-CG 4.3Å; V382-F407 HydrophobicContact CG1-CB 4.36Å; V382-F407 HydrophobicContact CG1-CD2 3.98Å; V382-F407 HydrophobicContact CG1-CG 4.24Å; V382-F407 HydrophobicContact CG2-CB 4.33Å; V382-F407 HydrophobicContact CG2-CD1 3.83Å; V382-F407 HydrophobicContact CG2-CD2 4.07Å; V382-F407 HydrophobicContact CG2-CE1 4.06Å; V382-F407 HydrophobicContact CG2-CE2 4.28Å; V382-F407 HydrophobicContact CG2-CG 3.83Å; V382-F407 HydrophobicContact CG2-CZ 4.27Å; V382-L578 HydrophobicContact CG1-CD2 4.34Å; V382-L578 HydrophobicContact CG2-CD1 4.39Å; V382-L578 HydrophobicContact CG2-CD2 3.8Å
383	K	98.6	Very high	98.3	Very high	101 Å²	101	43.5 Å²	43.5	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-58.3	-41.7	176.5	-179.4	172.7	179.8	-178.8	0	113.3	S379 G380 M381 G387 G388 Y389	S379-K383 WeakPolarHBondContact O-CB 3.3Å; S379-K383 PolarHBondContact O-N 3.44Å; S379-K383 VanDerWaalsContact O-N 3.1Å; G380-K383 PolarHBondContact O-N 2.98Å; M381-K383 PolarHBondContact O-N 3.27Å; K383-G387 CarbonylContact O-C 3.58Å; K383-G387 WeakPolarHBondContact O-CA 3.45Å; K383-G387 PolarHBondContact O-N 2.77Å; K383-G388 VanDerWaalsContact CA-O 3.29Å; K383-G388 WeakPolarHBondContact CA-O 3.21Å; K383-G388 PolarHBondContact N-O 2.96Å; K383-Y389 HydrophobicContact CB-CD1 4.1Å; K383-Y389 HydrophobicContact CB-CE1 3.86Å; K383-Y389 HydrophobicContact CD-CE1 3.83Å; K383-Y389 HydrophobicContact CD-CE2 3.77Å; K383-Y389 VanDerWaalsContact CD-OH 3.29Å; K383-Y389 WeakPolarHBondContact CD-OH 3.23Å; K383-Y389 HydrophobicContact CG-CE1 4.47Å; K383-Y389 PolarHBondContact NZ-OH 3.4Å
384	H	98.4	Very high	98.3	Very high	132 Å²	132	44.7 Å²	44.7	61%	0.611	24%	0.238	S	C	*	.	H	α-helix	trans	-64.7	-41	179.2	178.3	78.4	0	0	0	112.3	Y273 G380 M381 V382	Y273-H384 HydrophobicContact CD2-CB 4.06Å; Y273-H384 AromaticContact CD2-CD2 3.71Å; Y273-H384 AromaticContact CD2-CG 3.89Å; Y273-H384 HydrophobicContact CE2-CB 3.71Å; Y273-H384 AromaticContact CE2-CG 3.87Å; G380-H384 VanDerWaalsContact O-CB 3.28Å; G380-H384 WeakPolarHBondContact O-CB 3.24Å; G380-H384 PolarHBondContact O-N 2.63Å; M381-H384 PolarHBondContact O-N 2.8Å; V382-H384 VanDerWaalsContact C-N 3.32Å; V382-H384 PolarHBondContact O-N 2.8Å
385	I	97.9	Very high	98.2	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.138	25%	0.249	C	C	.	.	H	α-helix	trans	-83	-41.3	-174.3	-67.3	178.2	0	0	0	112.1	T266 K269 I270 M381 V382 L578	T266-I385 HydrophobicContact CG2-CG2 3.98Å; K269-I385 HydrophobicContact CB-CD1 4.07Å; K269-I385 HydrophobicContact CB-CG1 4.23Å; I270-I385 HydrophobicContact CB-CD1 4.45Å; I270-I385 HydrophobicContact CG1-CD1 3.63Å; M381-I385 HydrophobicContact CG-CD1 3.7Å; M381-I385 HydrophobicContact CG-CG1 4.42Å; M381-I385 WeakPolarHBondContact O-CB 3.16Å; M381-I385 WeakPolarHBondContact O-CG1 3.01Å; M381-I385 PolarHBondContact O-N 2.99Å; M381-I385 HydrophobicContact SD-CD1 4.36Å; V382-I385 PolarHBondContact O-N 3.36Å; I385-L578 HydrophobicContact CD1-CD1 4.43Å
386	T	97.1	Very high	98	Very high	63 Å²	63	51.3 Å²	51.3	39%	0.387	28%	0.276	S	S	.	.	H	α-helix	trans	-103	-14	-172.2	73.2	0	0	0	0	113.3	V382 G388 V391	V382-T386 HydrophobicContact CG1-CG2 4.39Å; V382-T386 PolarHBondContact O-N 2.8Å; V382-T386 PolarHBondContact O-OG1 2.98Å; T386-G388 PolarHBondContact OG1-N 3.4Å; T386-G388 PolarHBondContact OG1-O 3.17Å; T386-V391 HydrophobicContact CG2-CG2 4.12Å
387	G	97.6	Very high	97.6	Very high	68 Å²	68	44.7 Å²	44.7	70%	0.701	26%	0.255	S	S	*	.	S	Bend	trans	88.5	-3.6	-176.5	0	0	0	0	0	114.8	K383	K383-G387 CarbonylContact O-C 3.58Å; K383-G387 WeakPolarHBondContact O-CA 3.45Å; K383-G387 PolarHBondContact O-N 2.77Å
388	G	97.6	Very high	97.2	Very high	26 Å²	26	50.5 Å²	50.5	27%	0.268	29%	0.293	S	S	.	.	S	Bend	trans	-158.2	176.7	179.8	0	0	0	0	0	113	V382 K383 T386	V382-G388 CarbonylContact C-O 3.59Å; K383-G388 VanDerWaalsContact CA-O 3.29Å; K383-G388 WeakPolarHBondContact CA-O 3.21Å; K383-G388 PolarHBondContact N-O 2.96Å; T386-G388 PolarHBondContact OG1-N 3.4Å; T386-G388 PolarHBondContact OG1-O 3.17Å
389	Y	98.4	Very high	96.9	Very high	74 Å²	74	60.1 Å²	60.1	29%	0.29	34%	0.337	S	S	.	.	S	Bend	trans	-87	-14	179.8	-64.6	-69.1	0	0	0	113.8	S379 K383 F407 T408	S379-Y389 WeakPolarHBondContact O-CD1 3.27Å; S379-Y389 VanDerWaalsContact O-CE1 3.27Å; S379-Y389 WeakPolarHBondContact O-CE1 3.26Å; K383-Y389 HydrophobicContact CB-CD1 4.1Å; K383-Y389 HydrophobicContact CB-CE1 3.86Å; K383-Y389 HydrophobicContact CD-CE1 3.83Å; K383-Y389 HydrophobicContact CD-CE2 3.77Å; K383-Y389 VanDerWaalsContact CD-OH 3.29Å; K383-Y389 WeakPolarHBondContact CD-OH 3.23Å; K383-Y389 HydrophobicContact CG-CE1 4.47Å; K383-Y389 PolarHBondContact NZ-OH 3.4Å; Y389-F407 WeakPolarHBondContact O-CB 3.3Å; Y389-F407 PolarHBondContact O-N 3.39Å; Y389-T408 WeakPolarHBondContact CB-OG1 3.48Å
390	K	98.4	Very high	96.7	Very high	107 Å²	107	61.2 Å²	61.2	47%	0.465	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.2	-175.2	-67.3	174.9	167.9	-137.8	0	110.7	E404 I405 D406	K390-E404 HydrophobicContact CB-CG 4.18Å; K390-E404 HydrophobicContact CD-CG 4.46Å; K390-E404 WeakPolarHBondContact CD-OE1 3.41Å; K390-E404 WeakPolarHBondContact CE-OE1 3.35Å; K390-E404 HydrophobicContact CG-CG 4.42Å; K390-E404 IonicContact NZ-OE1 3.12Å; K390-E404 PolarHBondContact NZ-OE1 3.48Å; K390-I405 WeakPolarHBondContact CA-O 3.48Å; K390-D406 VanDerWaalsContact CE-OD2 3.23Å; K390-D406 WeakPolarHBondContact CE-OD2 3.32Å; K390-D406 HydrophobicContact CG-CB 4.28Å; K390-D406 IonicContact NZ-OD2 3.3Å
391	V	97.8	Very high	96.5	Very high	19 Å²	19	66 Å²	66	12%	0.115	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.7	179.6	-175.8	0	0	0	0	109.3	V382 T386 I405 F407 L578	V382-V391 HydrophobicContact CG1-CG2 3.63Å; T386-V391 HydrophobicContact CG2-CG2 4.12Å; V391-I405 PolarHBondContact N-O 3.25Å; V391-I405 PolarHBondContact O-N 3.27Å; V391-F407 HydrophobicContact CG2-CD2 4.5Å; V391-F407 HydrophobicContact CG2-CE2 4.38Å; V391-L578 HydrophobicContact CG2-CD2 4.26Å
392	T	98.2	Very high	96.4	Very high	79 Å²	79	68.4 Å²	68.4	49%	0.485	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.5	172.6	-53.2	0	0	0	0	110.1	A402 Y403	T392-A402 HydrophobicContact CG2-CB 4Å; T392-Y403 CarbonylContact C-O 3.56Å; T392-Y403 WeakPolarHBondContact CA-O 3.49Å
393	Y	98.3	Very high	96.4	Very high	12 Å²	12	71.2 Å²	71.2	5%	0.047	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.6	178.4	-174.7	-100.3	0	0	0	112.3	P395 Y403 I405 M511 F577 D580 S581 N582	Y393-P395 HydrophobicContact CD1-CB 4.4Å; Y393-P395 HydrophobicContact CE1-CB 3.96Å; Y393-Y403 PolarHBondContact N-O 2.77Å; Y393-Y403 PolarHBondContact O-N 3.03Å; Y393-I405 HydrophobicContact CG-CD1 4.12Å; Y393-M511 HydrophobicContact CD1-CB 4.33Å; Y393-M511 HydrophobicContact CD1-CG 3.48Å; Y393-M511 VanDerWaalsContact CD1-CG 3.48Å; Y393-M511 HydrophobicContact CD1-SD 4.16Å; Y393-M511 HydrophobicContact CE1-CB 4.42Å; Y393-M511 HydrophobicContact CE1-CG 3.62Å; Y393-M511 HydrophobicContact CG-CG 4.48Å; Y393-F577 HydrophobicContact CD2-CD1 4.02Å; Y393-F577 HydrophobicContact CE1-CD1 4.27Å; Y393-F577 HydrophobicContact CE1-CE1 4.22Å; Y393-F577 AromaticContact CE2-CD1 3.68Å; Y393-F577 HydrophobicContact CE2-CD1 3.68Å; Y393-F577 HydrophobicContact CE2-CE1 4.23Å; Y393-F577 HydrophobicContact CG-CD1 4.47Å; Y393-F577 AromaticContact CZ-CD1 3.8Å; Y393-F577 AromaticContact CZ-CE1 3.87Å; Y393-D580 WeakPolarHBondContact CA-OD1 3.43Å; Y393-S581 PolarHBondContact OH-O 2.89Å; Y393-S581 VanDerWaalsContact OH-O 3.11Å; Y393-N582 WeakPolarHBondContact OH-CA 3.41Å
394	H	98.3	Very high	96.4	Very high	36 Å²	36	71.7 Å²	71.7	17%	0.167	40%	0.402	C	S	.	.			trans	-117.2	92.9	-179.9	-57.9	86	0	0	0	110.6	D396 G397 A402 D580	H394-D396 VanDerWaalsContact C-N 3.26Å; H394-D396 PolarHBondContact O-N 2.99Å; H394-G397 WeakPolarHBondContact CB-O 3.41Å; H394-G397 PolarHBondContact O-N 2.98Å; H394-G397 VanDerWaalsContact O-N 3.14Å; H394-A402 WeakPolarHBondContact NE2-CB 3.47Å; H394-D580 IonicContact CE1-OD2 3.96Å; H394-D580 PolarHBondContact CE1-OD2 3.12Å; H394-D580 IonicContact CG-OD1 3.83Å; H394-D580 IonicContact CG-OD2 3.11Å; H394-D580 PolarHBondContact N-OD1 3.11Å; H394-D580 IonicContact ND1-OD1 2.67Å; H394-D580 PolarHBondContact ND1-OD1 3.08Å; H394-D580 IonicContact ND1-OD2 2.96Å; H394-D580 PolarHBondContact ND1-OD2 2.76Å
395	P	95.4	Very high	96.4	Very high	33 Å²	33	65.4 Å²	65.4	21%	0.214	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-34.9	-177.7	26.9	-37	0	0	0	112.9	Y393 G397 Q401 Y403 M511 N582	Y393-P395 HydrophobicContact CD1-CB 4.4Å; Y393-P395 HydrophobicContact CE1-CB 3.96Å; P395-G397 VanDerWaalsContact C-N 3.34Å; P395-Q401 WeakPolarHBondContact CD-O 3.49Å; P395-Y403 HydrophobicContact CG-CD2 3.9Å; P395-Y403 HydrophobicContact CG-CE2 3.85Å; P395-M511 HydrophobicContact CB-CE 4Å; P395-M511 HydrophobicContact CG-CE 3.74Å; P395-N582 WeakPolarHBondContact O-CB 3.5Å; P395-N582 PolarHBondContact O-ND2 3.24Å
396	D	94.8	Very high	96.4	Very high	124 Å²	124	66.4 Å²	66.4	66%	0.663	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	11.8	-177.6	-53.4	-53.3	0	0	0	112.6	H394	H394-D396 VanDerWaalsContact C-N 3.26Å; H394-D396 PolarHBondContact O-N 2.99Å
397	G	91.6	Very high	96.5	Very high	11 Å²	11	63.4 Å²	63.4	11%	0.113	36%	0.361	C	S	.	.			trans	86.8	177.8	-176.5	0	0	0	0	0	113.6	H394 P395 E399 G400 N582	H394-G397 WeakPolarHBondContact CB-O 3.41Å; H394-G397 PolarHBondContact O-N 2.98Å; H394-G397 VanDerWaalsContact O-N 3.14Å; P395-G397 VanDerWaalsContact C-N 3.34Å; G397-E399 PolarHBondContact O-N 2.82Å; G397-G400 PolarHBondContact O-N 3.43Å; G397-N582 PolarHBondContact N-ND2 3Å
398	P	89.9	Confident	96.5	Very high	122 Å²	122	63.3 Å²	63.3	79%	0.792	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.5	-164.8	-24.6	34.2	0	0	0	116.1
399	E	91.9	Very high	96.6	Very high	202 Å²	202	64.6 Å²	64.6	94%	0.944	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-9.7	177.2	-61.6	-176.7	-177	0	0	112.6	G397	G397-E399 PolarHBondContact O-N 2.82Å
400	G	94	Very high	96.6	Very high	30 Å²	30	65.9 Å²	65.9	31%	0.309	37%	0.367	S	S	.	.	S	Bend	trans	-85.8	-173.2	-179.3	0	0	0	0	0	113.7	G397 A402	G397-G400 PolarHBondContact O-N 3.43Å; G400-A402 PolarHBondContact O-N 3.42Å
401	Q	95.4	Very high	96.6	Very high	118 Å²	118	61.3 Å²	61.3	55%	0.551	35%	0.348	S	S	*	.			trans	-68.4	130	178.4	-178.2	177.6	1	0	0	111.1	P395 Y403	P395-Q401 WeakPolarHBondContact CD-O 3.49Å; Q401-Y403 HydrophobicContact CB-CE2 3.94Å; Q401-Y403 HydrophobicContact CG-CD2 4.2Å; Q401-Y403 HydrophobicContact CG-CE2 3.66Å; Q401-Y403 PolarHBondContact OE1-OH 3.24Å
402	A	97.3	Very high	96.6	Very high	53 Å²	53	66 Å²	66	44%	0.438	37%	0.366	S	S	.	.			trans	-80.9	137.7	169.7	0	0	0	0	0	110.9	T392 H394 G400	T392-A402 HydrophobicContact CG2-CB 4Å; H394-A402 WeakPolarHBondContact NE2-CB 3.47Å; G400-A402 PolarHBondContact O-N 3.42Å
403	Y	97.8	Very high	96.6	Very high	58 Å²	58	68.1 Å²	68.1	23%	0.227	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.3	171.5	-71.1	-99.7	0	0	0	109.6	T392 Y393 P395 Q401 I477 M511	T392-Y403 CarbonylContact C-O 3.56Å; T392-Y403 WeakPolarHBondContact CA-O 3.49Å; Y393-Y403 PolarHBondContact N-O 2.77Å; Y393-Y403 PolarHBondContact O-N 3.03Å; P395-Y403 HydrophobicContact CG-CD2 3.9Å; P395-Y403 HydrophobicContact CG-CE2 3.85Å; Q401-Y403 HydrophobicContact CB-CE2 3.94Å; Q401-Y403 HydrophobicContact CG-CD2 4.2Å; Q401-Y403 HydrophobicContact CG-CE2 3.66Å; Q401-Y403 PolarHBondContact OE1-OH 3.24Å; Y403-I477 HydrophobicContact CD1-CD1 4.4Å; Y403-I477 HydrophobicContact CD1-CG2 4.15Å; Y403-I477 HydrophobicContact CE1-CD1 4.4Å; Y403-M511 HydrophobicContact CD1-CE 4.14Å; Y403-M511 HydrophobicContact CD2-CE 3.76Å; Y403-M511 HydrophobicContact CE1-CE 4.42Å; Y403-M511 HydrophobicContact CE2-CE 4.08Å; Y403-M511 HydrophobicContact CG-CE 3.8Å; Y403-M511 HydrophobicContact CG-SD 4.17Å
404	E	98.1	Very high	96.6	Very high	112 Å²	112	68.4 Å²	68.4	52%	0.523	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.3	167.6	-174.2	177.2	92.3	0	0	108.7	K390	K390-E404 HydrophobicContact CB-CG 4.18Å; K390-E404 HydrophobicContact CD-CG 4.46Å; K390-E404 WeakPolarHBondContact CD-OE1 3.41Å; K390-E404 WeakPolarHBondContact CE-OE1 3.35Å; K390-E404 HydrophobicContact CG-CG 4.42Å; K390-E404 IonicContact NZ-OE1 3.12Å; K390-E404 PolarHBondContact NZ-OE1 3.48Å
405	I	98.3	Very high	96.6	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.5	174.7	-52.5	176.1	0	0	0	107.3	K390 V391 Y393 F407 V510 M511	K390-I405 WeakPolarHBondContact CA-O 3.48Å; V391-I405 PolarHBondContact N-O 3.25Å; V391-I405 PolarHBondContact O-N 3.27Å; Y393-I405 HydrophobicContact CG-CD1 4.12Å; I405-F407 HydrophobicContact CB-CE2 3.99Å; I405-F407 HydrophobicContact CG2-CD2 3.87Å; I405-F407 HydrophobicContact CG2-CE2 3.32Å; I405-F407 HydrophobicContact CG2-CZ 3.82Å; I405-V510 HydrophobicContact CD1-CG1 4.07Å; I405-V510 HydrophobicContact CG2-CG1 3.83Å; I405-M511 HydrophobicContact CD1-CB 3.99Å; I405-M511 HydrophobicContact CD1-CG 4.47Å
406	D	98.6	Very high	96.7	Very high	48 Å²	48	65.9 Å²	65.9	26%	0.257	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.8	-179.1	-166.7	-11.3	0	0	0	110.9	K390 T408 S478 P479	K390-D406 VanDerWaalsContact CE-OD2 3.23Å; K390-D406 WeakPolarHBondContact CE-OD2 3.32Å; K390-D406 HydrophobicContact CG-CB 4.28Å; K390-D406 IonicContact NZ-OD2 3.3Å; D406-T408 VanDerWaalsContact C-N 3.29Å; D406-T408 PolarHBondContact O-N 3.38Å; D406-T408 WeakPolarHBondContact OD1-CB 3.45Å; D406-T408 PolarHBondContact OD1-N 3.11Å; D406-T408 PolarHBondContact OD1-OG1 3.03Å; D406-S478 PolarHBondContact N-OG 3.16Å; D406-S478 VanDerWaalsContact N-OG 3.1Å; D406-P479 VanDerWaalsContact O-CD 3.24Å; D406-P479 WeakPolarHBondContact O-CD 3.44Å
407	F	98.7	Very high	96.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.325	C	S	.	.			trans	-90.4	21.7	176.8	-67.6	-100	0	0	0	112.9	S379 V382 Y389 V391 I405 P409 F411 P479 V510	S379-F407 WeakPolarHBondContact CB-O 3.22Å; V382-F407 HydrophobicContact CB-CB 4.34Å; V382-F407 HydrophobicContact CB-CD2 4.49Å; V382-F407 HydrophobicContact CB-CG 4.3Å; V382-F407 HydrophobicContact CG1-CB 4.36Å; V382-F407 HydrophobicContact CG1-CD2 3.98Å; V382-F407 HydrophobicContact CG1-CG 4.24Å; V382-F407 HydrophobicContact CG2-CB 4.33Å; V382-F407 HydrophobicContact CG2-CD1 3.83Å; V382-F407 HydrophobicContact CG2-CD2 4.07Å; V382-F407 HydrophobicContact CG2-CE1 4.06Å; V382-F407 HydrophobicContact CG2-CE2 4.28Å; V382-F407 HydrophobicContact CG2-CG 3.83Å; V382-F407 HydrophobicContact CG2-CZ 4.27Å; Y389-F407 WeakPolarHBondContact O-CB 3.3Å; Y389-F407 PolarHBondContact O-N 3.39Å; V391-F407 HydrophobicContact CG2-CD2 4.5Å; V391-F407 HydrophobicContact CG2-CE2 4.38Å; I405-F407 HydrophobicContact CB-CE2 3.99Å; I405-F407 HydrophobicContact CG2-CD2 3.87Å; I405-F407 HydrophobicContact CG2-CE2 3.32Å; I405-F407 HydrophobicContact CG2-CZ 3.82Å; F407-P409 WeakPolarHBondContact O-CD 3.43Å; F407-F411 WeakPolarHBondContact O-CE1 3.45Å; F407-P479 HydrophobicContact CB-CG 4.46Å; F407-P479 HydrophobicContact CD1-CG 3.34Å; F407-P479 HydrophobicContact CE1-CG 3.62Å; F407-P479 HydrophobicContact CG-CG 3.88Å; F407-P479 HydrophobicContact CZ-CG 4.35Å; F407-V510 HydrophobicContact CE1-CG1 4.47Å; F407-V510 HydrophobicContact CE1-CG2 4.11Å; F407-V510 HydrophobicContact CZ-CG1 3.92Å; F407-V510 HydrophobicContact CZ-CG2 4.38Å
408	T	98.7	Very high	96.8	Very high	66 Å²	66	62.8 Å²	62.8	41%	0.405	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-72.3	121.9	173.7	-55.1	0	0	0	0	110.1	Y389 D406	Y389-T408 WeakPolarHBondContact CB-OG1 3.48Å; D406-T408 VanDerWaalsContact C-N 3.29Å; D406-T408 PolarHBondContact O-N 3.38Å; D406-T408 WeakPolarHBondContact OD1-CB 3.45Å; D406-T408 PolarHBondContact OD1-N 3.11Å; D406-T408 PolarHBondContact OD1-OG1 3.03Å
409	P	98.3	Very high	97.2	Very high	52 Å²	52	58.7 Å²	58.7	34%	0.338	31%	0.306	S	S	.	.	S	Bend	trans	-76.1	158.7	176.7	32.1	-34.7	0	0	0	111.9	E375 F407 F411	E375-P409 HydrophobicContact CB-CB 4.17Å; E375-P409 HydrophobicContact CG-CB 4.46Å; F407-P409 WeakPolarHBondContact O-CD 3.43Å; P409-F411 HydrophobicContact CB-CE1 4.4Å
410	P	98.6	Very high	97.4	Very high	102 Å²	102	49.1 Å²	49.1	66%	0.662	26%	0.261	S	S	*	.	S	Bend	cis	-76.4	148	-0.3	31.8	-35.2	0	0	0	112.4
411	F	98.8	Very high	97.5	Very high	11 Å²	11	49.4 Å²	49.4	5%	0.048	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-77.2	152.6	178.4	-62.1	-16.9	0	0	0	110.7	E375 L378 F407 P409 P479 F481 L508	E375-F411 HydrophobicContact CB-CE2 4.39Å; E375-F411 HydrophobicContact CG-CB 4.23Å; E375-F411 HydrophobicContact CG-CD1 4.33Å; E375-F411 HydrophobicContact CG-CD2 3.6Å; E375-F411 HydrophobicContact CG-CE2 3.96Å; E375-F411 HydrophobicContact CG-CG 3.8Å; E375-F411 HydrophobicContact CG-CZ 4.45Å; E375-F411 PolarHBondContact OE1-N 2.86Å; L378-F411 HydrophobicContact CB-CE2 4.36Å; L378-F411 HydrophobicContact CB-CZ 4.33Å; L378-F411 HydrophobicContact CD1-CE2 4.38Å; F407-F411 WeakPolarHBondContact O-CE1 3.45Å; P409-F411 HydrophobicContact CB-CE1 4.4Å; F411-P479 HydrophobicContact CB-CB 4.35Å; F411-P479 WeakPolarHBondContact CB-O 3.19Å; F411-P479 HydrophobicContact CD1-CB 3.84Å; F411-P479 HydrophobicContact CD1-CG 4.37Å; F411-P479 HydrophobicContact CD2-CB 3.6Å; F411-P479 HydrophobicContact CE1-CB 3.99Å; F411-P479 HydrophobicContact CE1-CG 4.13Å; F411-P479 HydrophobicContact CE2-CB 3.75Å; F411-P479 HydrophobicContact CE2-CG 4.38Å; F411-P479 HydrophobicContact CG-CB 3.66Å; F411-P479 HydrophobicContact CZ-CB 3.95Å; F411-P479 HydrophobicContact CZ-CG 4.14Å; F411-F481 HydrophobicContact CB-CD2 3.88Å; F411-F481 HydrophobicContact CB-CE2 3.67Å; F411-F481 AromaticContact CD2-CE2 3.82Å; F411-F481 HydrophobicContact CD2-CE2 3.82Å; F411-F481 AromaticContact CD2-CZ 3.93Å; F411-F481 HydrophobicContact CD2-CZ 3.93Å; F411-F481 HydrophobicContact CG-CE2 4.21Å; F411-L508 HydrophobicContact CD2-CD1 4.03Å; F411-L508 HydrophobicContact CD2-CD2 4.47Å; F411-L508 HydrophobicContact CE2-CD2 4.34Å
412	K	98.4	Very high	97.5	Very high	116 Å²	116	50.4 Å²	50.4	50%	0.504	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	140.6	177.6	-176.7	-177.5	176.4	-168.1	0	109.3	V414 P479 T480 F481	K412-V414 HydrophobicContact CD-CG1 4.43Å; K412-V414 HydrophobicContact CG-CG1 4.37Å; K412-P479 PolarHBondContact N-O 3.48Å; K412-T480 HydrophobicContact CB-CG2 4.01Å; K412-T480 HydrophobicContact CD-CG2 4.06Å; K412-T480 HydrophobicContact CG-CG2 4.04Å; K412-T480 CarbonylContact O-C 3.58Å; K412-T480 WeakPolarHBondContact O-CA 3.49Å; K412-F481 PolarHBondContact O-N 3.48Å
413	R	98.5	Very high	97.4	Very high	125 Å²	125	51.7 Å²	51.7	47%	0.472	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.3	176	-63.1	170.9	-168.5	147.2	6.3	109.1	E375 F481	E375-R413 IonicContact OE1-CZ 3.09Å; E375-R413 IonicContact OE1-NE 3.2Å; E375-R413 IonicContact OE1-NH2 3.88Å; E375-R413 PolarHBondContact OE1-NH2 2.86Å; E375-R413 IonicContact OE2-NH2 3.99Å; E375-R413 PolarHBondContact OE2-NH2 3.33Å; R413-F481 WeakPolarHBondContact CA-O 3.37Å; R413-F481 HydrophobicContact CG-CB 4.07Å; R413-F481 HydrophobicContact CG-CD2 3.82Å; R413-F481 HydrophobicContact CG-CG 4.39Å
414	V	98	Very high	97.2	Very high	17 Å²	17	49.3 Å²	49.3	10%	0.103	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.7	176.1	-60.6	0	0	0	0	108.9	K412 D419 T480 F481 I482 C483	K412-V414 HydrophobicContact CD-CG1 4.43Å; K412-V414 HydrophobicContact CG-CG1 4.37Å; V414-D419 WeakPolarHBondContact CA-OD2 3.42Å; V414-D419 HydrophobicContact CB-CB 4.36Å; V414-D419 WeakPolarHBondContact CB-OD2 3.37Å; V414-T480 HydrophobicContact CG1-CG2 4.41Å; V414-T480 HydrophobicContact CG2-CG2 4.17Å; V414-F481 WeakPolarHBondContact CG2-O 3.4Å; V414-F481 PolarHBondContact N-O 3.1Å; V414-I482 HydrophobicContact CG2-CB 4.32Å; V414-I482 HydrophobicContact CG2-CG1 3.82Å; V414-I482 CarbonylContact O-C 3.43Å; V414-I482 WeakPolarHBondContact O-CA 3.1Å; V414-C483 PolarHBondContact O-N 3.43Å
415	S	97.1	Very high	97.1	Very high	14 Å²	14	47.2 Å²	47.2	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.6	173.7	170.4	0	0	0	0	109.2	T417 H418 D419	S415-T417 VanDerWaalsContact C-N 3.34Å; S415-T417 PolarHBondContact O-N 3.23Å; S415-H418 PolarHBondContact OG-CD2 3.06Å; S415-H418 VanDerWaalsContact OG-CD2 3.24Å; S415-H418 PolarHBondContact OG-N 3.12Å; S415-D419 PolarHBondContact N-OD2 2.89Å; S415-D419 VanDerWaalsContact O-CB 3.3Å; S415-D419 WeakPolarHBondContact O-CB 3.44Å; S415-D419 PolarHBondContact O-N 2.74Å
416	M	97.5	Very high	96.9	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-51.2	-54.2	179.3	174.5	171.9	-76	0	0	111.1	L420 V468 L472 I482 C483 H485 M489	M416-L420 WeakPolarHBondContact O-CB 3.5Å; M416-L420 PolarHBondContact O-N 3.29Å; M416-V468 HydrophobicContact CE-CB 4.48Å; M416-V468 HydrophobicContact CE-CG1 4.01Å; M416-V468 HydrophobicContact CE-CG2 3.84Å; M416-V468 HydrophobicContact CG-CG2 3.77Å; M416-V468 HydrophobicContact SD-CG2 3.96Å; M416-L472 WeakPolarHBondContact O-CD1 3.34Å; M416-I482 HydrophobicContact CB-CG2 3.79Å; M416-I482 HydrophobicContact CE-CG2 4Å; M416-I482 HydrophobicContact CG-CG2 4.49Å; M416-C483 PolarHBondContact N-O 3.23Å; M416-H485 WeakPolarHBondContact CE-CD2 3.27Å; M416-H485 WeakPolarHBondContact CE-NE2 3.21Å; M416-H485 HydrophobicContact SD-CB 4.28Å; M416-M489 HydrophobicContact CE-CE 4.45Å; M416-M489 HydrophobicContact SD-CE 4.22Å; M416-M489 HydrophobicContact SD-SD 3.87Å
417	T	93.9	Very high	96.8	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-73.6	-51.5	-174.2	-60.5	0	0	0	0	111.6	S415 L420 E421 F428 T431 Y434	S415-T417 VanDerWaalsContact C-N 3.34Å; S415-T417 PolarHBondContact O-N 3.23Å; T417-L420 PolarHBondContact O-N 2.9Å; T417-E421 WeakPolarHBondContact O-CB 3.48Å; T417-E421 PolarHBondContact O-N 2.78Å; T417-F428 HydrophobicContact CG2-CD2 4.27Å; T417-T431 HydrophobicContact CG2-CG2 3.83Å; T417-Y434 WeakPolarHBondContact CG2-OH 3.32Å
418	H	95.7	Very high	96.8	Very high	65 Å²	65	54.8 Å²	54.8	30%	0.301	29%	0.29	S	S	.	.	H	α-helix	trans	-70	-38.4	-171.8	-63.3	-58.2	0	0	0	112.6	S415 K422 E499	S415-H418 PolarHBondContact OG-CD2 3.06Å; S415-H418 VanDerWaalsContact OG-CD2 3.24Å; S415-H418 PolarHBondContact OG-N 3.12Å; H418-K422 VanDerWaalsContact O-CG 3.26Å; H418-K422 WeakPolarHBondContact O-CG 3.38Å; H418-K422 PolarHBondContact O-N 3.09Å; H418-K422 VanDerWaalsContact O-N 3.17Å; H418-E499 IonicContact CD2-OE2 3.04Å; H418-E499 IonicContact CE1-OE2 3.2Å; H418-E499 IonicContact NE2-OE1 2.68Å; H418-E499 IonicContact NE2-OE2 2.81Å; H418-E499 PolarHBondContact NE2-OE2 2.64Å
419	D	97.1	Very high	96.7	Very high	37 Å²	37	52.9 Å²	52.9	20%	0.198	28%	0.278	C	S	.	.	H	α-helix	trans	-78.6	-31.9	179	-67.1	-60.8	0	0	0	111.9	V414 S415 K422 I423 L472	V414-D419 WeakPolarHBondContact CA-OD2 3.42Å; V414-D419 HydrophobicContact CB-CB 4.36Å; V414-D419 WeakPolarHBondContact CB-OD2 3.37Å; S415-D419 PolarHBondContact N-OD2 2.89Å; S415-D419 VanDerWaalsContact O-CB 3.3Å; S415-D419 WeakPolarHBondContact O-CB 3.44Å; S415-D419 PolarHBondContact O-N 2.74Å; D419-K422 PolarHBondContact O-N 2.96Å; D419-K422 IonicContact OD1-NZ 3.36Å; D419-K422 PolarHBondContact OD1-NZ 3.19Å; D419-I423 WeakPolarHBondContact O-CD1 3.28Å; D419-I423 VanDerWaalsContact O-CG1 3.23Å; D419-I423 WeakPolarHBondContact O-CG1 3.33Å; D419-I423 PolarHBondContact O-N 3.48Å; D419-L472 HydrophobicContact CB-CD2 4.12Å
420	L	96.1	Very high	96.6	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-43.5	169.7	-172.2	62.3	0	0	0	111.4	M416 T417 K422 I423 M424 F428 L464 L467 V468 F471 L472	M416-L420 WeakPolarHBondContact O-CB 3.5Å; M416-L420 PolarHBondContact O-N 3.29Å; T417-L420 PolarHBondContact O-N 2.9Å; L420-K422 VanDerWaalsContact C-N 3.33Å; L420-K422 PolarHBondContact O-N 3.11Å; L420-I423 PolarHBondContact O-N 2.89Å; L420-M424 HydrophobicContact CD1-CE 4.11Å; L420-M424 HydrophobicContact CD1-CG 4.27Å; L420-M424 HydrophobicContact CG-CG 4.3Å; L420-M424 WeakPolarHBondContact O-CB 3.2Å; L420-M424 VanDerWaalsContact O-CG 3.25Å; L420-M424 WeakPolarHBondContact O-CG 3.11Å; L420-M424 PolarHBondContact O-N 3.36Å; L420-F428 HydrophobicContact CB-CE2 4.17Å; L420-F428 HydrophobicContact CB-CZ 4.43Å; L420-F428 HydrophobicContact CD2-CE2 3.91Å; L420-F428 HydrophobicContact CD2-CZ 4.13Å; L420-F428 HydrophobicContact CG-CE2 3.94Å; L420-F428 HydrophobicContact CG-CZ 3.88Å; L420-L464 HydrophobicContact CD2-CD2 4.38Å; L420-L467 HydrophobicContact CD1-CB 4.42Å; L420-L467 HydrophobicContact CD2-CB 3.91Å; L420-V468 HydrophobicContact CD2-CG2 4.05Å; L420-F471 HydrophobicContact CD1-CB 3.94Å; L420-L472 HydrophobicContact CB-CD1 3.84Å; L420-L472 HydrophobicContact CB-CG 4.39Å; L420-L472 HydrophobicContact CD1-CD1 4.39Å; L420-L472 HydrophobicContact CD1-CG 4.26Å
421	E	96.3	Very high	96.4	Very high	35 Å²	35	50.9 Å²	50.9	16%	0.164	27%	0.265	C	S	.	.	H	α-helix	trans	-55.2	-47.7	174.9	-173.2	-178.6	100.5	0	0	111.3	T417 M424 G425 V426 K427 F428	T417-E421 WeakPolarHBondContact O-CB 3.48Å; T417-E421 PolarHBondContact O-N 2.78Å; E421-M424 PolarHBondContact O-N 3.31Å; E421-G425 PolarHBondContact O-N 3.2Å; E421-V426 WeakPolarHBondContact CG-O 3.43Å; E421-K427 WeakPolarHBondContact OE1-CD 3.49Å; E421-K427 IonicContact OE1-NZ 2.77Å; E421-K427 PolarHBondContact OE1-NZ 2.68Å; E421-K427 WeakPolarHBondContact OE2-CD 3.39Å; E421-K427 WeakPolarHBondContact OE2-CE 3.38Å; E421-K427 IonicContact OE2-NZ 2.86Å; E421-K427 PolarHBondContact OE2-NZ 3.27Å; E421-F428 HydrophobicContact CB-CD1 4.32Å; E421-F428 HydrophobicContact CB-CD2 4.19Å; E421-F428 HydrophobicContact CB-CE2 4.39Å; E421-F428 HydrophobicContact CB-CG 4.17Å; E421-F428 HydrophobicContact CG-CB 4.44Å; E421-F428 HydrophobicContact CG-CD1 4.13Å; E421-F428 HydrophobicContact CG-CG 4.16Å; E421-F428 PolarHBondContact OE2-N 2.77Å
422	K	96.4	Very high	96.2	Very high	140 Å²	140	53.7 Å²	53.7	61%	0.609	28%	0.281	S	S	*	.	H	α-helix	trans	-60.8	-45.5	177.3	-70.5	170	-151.5	160.8	0	112.3	H418 D419 L420 M424 G425	H418-K422 VanDerWaalsContact O-CG 3.26Å; H418-K422 WeakPolarHBondContact O-CG 3.38Å; H418-K422 PolarHBondContact O-N 3.09Å; H418-K422 VanDerWaalsContact O-N 3.17Å; D419-K422 PolarHBondContact O-N 2.96Å; D419-K422 IonicContact OD1-NZ 3.36Å; D419-K422 PolarHBondContact OD1-NZ 3.19Å; L420-K422 VanDerWaalsContact C-N 3.33Å; L420-K422 PolarHBondContact O-N 3.11Å; K422-M424 VanDerWaalsContact C-N 3.33Å; K422-G425 PolarHBondContact O-N 2.99Å
423	I	95.2	Very high	96	Very high	80 Å²	80	49.6 Å²	49.6	41%	0.41	27%	0.267	S	S	.	.	H	α-helix	trans	-67.3	-36.9	-180	-65.8	165.4	0	0	0	110.7	D419 L420 G425 F471 L472	D419-I423 WeakPolarHBondContact O-CD1 3.28Å; D419-I423 VanDerWaalsContact O-CG1 3.23Å; D419-I423 WeakPolarHBondContact O-CG1 3.33Å; D419-I423 PolarHBondContact O-N 3.48Å; L420-I423 PolarHBondContact O-N 2.89Å; I423-G425 VanDerWaalsContact C-N 3.3Å; I423-G425 PolarHBondContact O-N 2.87Å; I423-F471 HydrophobicContact CG2-CB 4.22Å; I423-F471 HydrophobicContact CG2-CD1 4.35Å; I423-L472 HydrophobicContact CD1-CD2 3.46Å; I423-L472 VanDerWaalsContact CD1-CD2 3.46Å; I423-L472 HydrophobicContact CD1-CG 4.25Å
424	M	93.6	Very high	95.8	Very high	8 Å²	8	44 Å²	44	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-70.4	-28.6	179	-72.5	-55.6	102.6	0	0	112.8	L420 E421 K422 V426 F428 L446 K450 L467 F471	L420-M424 HydrophobicContact CD1-CE 4.11Å; L420-M424 HydrophobicContact CD1-CG 4.27Å; L420-M424 HydrophobicContact CG-CG 4.3Å; L420-M424 WeakPolarHBondContact O-CB 3.2Å; L420-M424 VanDerWaalsContact O-CG 3.25Å; L420-M424 WeakPolarHBondContact O-CG 3.11Å; L420-M424 PolarHBondContact O-N 3.36Å; E421-M424 PolarHBondContact O-N 3.31Å; K422-M424 VanDerWaalsContact C-N 3.33Å; M424-V426 PolarHBondContact O-N 3.27Å; M424-F428 HydrophobicContact CB-CE1 4.01Å; M424-F428 HydrophobicContact CB-CZ 4.26Å; M424-F428 HydrophobicContact CG-CE1 4.04Å; M424-F428 HydrophobicContact CG-CZ 3.85Å; M424-L446 HydrophobicContact CG-CD2 4.26Å; M424-K450 PolarHBondContact O-NZ 2.77Å; M424-K450 VanDerWaalsContact O-NZ 3.12Å; M424-K450 HydrophobicContact SD-CD 4.04Å; M424-K450 HydrophobicContact SD-CG 3.97Å; M424-L467 HydrophobicContact SD-CD2 4.45Å; M424-F471 HydrophobicContact CE-CB 3.68Å; M424-F471 HydrophobicContact CE-CD1 3.4Å; M424-F471 VanDerWaalsContact CE-CD1 3.4Å; M424-F471 HydrophobicContact CE-CD2 3.34Å; M424-F471 HydrophobicContact CE-CE1 3.79Å; M424-F471 HydrophobicContact CE-CE2 3.73Å; M424-F471 HydrophobicContact CE-CG 3.17Å; M424-F471 HydrophobicContact CE-CZ 3.95Å; M424-F471 HydrophobicContact SD-CD2 4.2Å; M424-F471 HydrophobicContact SD-CE2 4.18Å
425	G	95.3	Very high	95.4	Very high	68 Å²	68	49.1 Å²	49.1	70%	0.701	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	23	-176.5	0	0	0	0	0	112.9	E421 K422 I423	E421-G425 PolarHBondContact O-N 3.2Å; K422-G425 PolarHBondContact O-N 2.99Å; I423-G425 VanDerWaalsContact C-N 3.3Å; I423-G425 PolarHBondContact O-N 2.87Å
426	V	95.2	Very high	95.2	Very high	51 Å²	51	49.8 Å²	49.8	31%	0.309	28%	0.277	S	S	.	.	S	Bend	trans	-134.1	133.9	-177.6	-179.5	0	0	0	0	107.9	E421 M424 F428 F442	E421-V426 WeakPolarHBondContact CG-O 3.43Å; M424-V426 PolarHBondContact O-N 3.27Å; V426-F428 WeakPolarHBondContact O-CD1 3.37Å; V426-F428 PolarHBondContact O-N 3.05Å; V426-F442 HydrophobicContact CG1-CE2 4.19Å; V426-F442 HydrophobicContact CG1-CZ 3.98Å
427	K	96.6	Very high	95	Very high	147 Å²	147	55.6 Å²	55.6	64%	0.639	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-67.7	127.2	176.7	-174.9	69.6	-162.3	142.5	0	110.1	E421	E421-K427 WeakPolarHBondContact OE1-CD 3.49Å; E421-K427 IonicContact OE1-NZ 2.77Å; E421-K427 PolarHBondContact OE1-NZ 2.68Å; E421-K427 WeakPolarHBondContact OE2-CD 3.39Å; E421-K427 WeakPolarHBondContact OE2-CE 3.38Å; E421-K427 IonicContact OE2-NZ 2.86Å; E421-K427 PolarHBondContact OE2-NZ 3.27Å
428	F	96.9	Very high	95.1	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.035	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-82.5	156.9	177	-72.2	5.5	0	0	0	110.9	T417 L420 E421 M424 V426 F442 F443 L446	T417-F428 HydrophobicContact CG2-CD2 4.27Å; L420-F428 HydrophobicContact CB-CE2 4.17Å; L420-F428 HydrophobicContact CB-CZ 4.43Å; L420-F428 HydrophobicContact CD2-CE2 3.91Å; L420-F428 HydrophobicContact CD2-CZ 4.13Å; L420-F428 HydrophobicContact CG-CE2 3.94Å; L420-F428 HydrophobicContact CG-CZ 3.88Å; E421-F428 HydrophobicContact CB-CD1 4.32Å; E421-F428 HydrophobicContact CB-CD2 4.19Å; E421-F428 HydrophobicContact CB-CE2 4.39Å; E421-F428 HydrophobicContact CB-CG 4.17Å; E421-F428 HydrophobicContact CG-CB 4.44Å; E421-F428 HydrophobicContact CG-CD1 4.13Å; E421-F428 HydrophobicContact CG-CG 4.16Å; E421-F428 PolarHBondContact OE2-N 2.77Å; M424-F428 HydrophobicContact CB-CE1 4.01Å; M424-F428 HydrophobicContact CB-CZ 4.26Å; M424-F428 HydrophobicContact CG-CE1 4.04Å; M424-F428 HydrophobicContact CG-CZ 3.85Å; V426-F428 WeakPolarHBondContact O-CD1 3.37Å; V426-F428 PolarHBondContact O-N 3.05Å; F428-F442 AromaticContact CD1-CE1 3.79Å; F428-F442 HydrophobicContact CD1-CE1 3.79Å; F428-F442 AromaticContact CD1-CZ 3.92Å; F428-F442 HydrophobicContact CD1-CZ 3.92Å; F428-F442 HydrophobicContact CE1-CE1 4.27Å; F428-F442 HydrophobicContact CE1-CZ 4.48Å; F428-F442 HydrophobicContact CG-CE1 4.28Å; F428-F443 HydrophobicContact CD1-CE1 4.47Å; F428-F443 AromaticContact CD2-CE1 3.78Å; F428-F443 HydrophobicContact CD2-CE1 3.78Å; F428-F443 AromaticContact CD2-CZ 3.92Å; F428-F443 HydrophobicContact CD2-CZ 3.92Å; F428-F443 HydrophobicContact CE1-CE1 4.42Å; F428-F443 AromaticContact CE2-CE1 3.73Å; F428-F443 HydrophobicContact CE2-CE1 3.73Å; F428-F443 HydrophobicContact CE2-CZ 4.28Å; F428-F443 HydrophobicContact CG-CE1 4.16Å; F428-F443 HydrophobicContact CG-CZ 4.29Å; F428-F443 HydrophobicContact CZ-CE1 4.06Å; F428-L446 HydrophobicContact CE1-CD2 3.68Å; F428-L446 HydrophobicContact CZ-CD2 4Å
429	P	96.7	Very high	95.2	Very high	26 Å²	26	59.4 Å²	59.4	17%	0.169	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-53.1	157.1	166.6	-26	36	0	0	0	111.5	T431 Y434 T439 F442	P429-T431 PolarHBondContact O-N 2.79Å; P429-Y434 HydrophobicContact CB-CE1 4.48Å; P429-Y434 WeakPolarHBondContact O-CE1 3.29Å; P429-T439 HydrophobicContact CB-CG2 4.03Å; P429-T439 HydrophobicContact CG-CG2 3.96Å; P429-F442 VanDerWaalsContact CD-CD1 3.41Å; P429-F442 VanDerWaalsContact CD-CE1 3.41Å; P429-F442 HydrophobicContact CG-CB 4.16Å; P429-F442 HydrophobicContact CG-CD1 3.76Å; P429-F442 HydrophobicContact CG-CD2 4.35Å; P429-F442 HydrophobicContact CG-CE1 4.26Å; P429-F442 HydrophobicContact CG-CG 3.82Å
430	P	96.1	Very high	95.1	Very high	84 Å²	84	61.3 Å²	61.3	55%	0.545	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-52.5	139.3	171	-25.1	35.6	0	0	0	111.6	D432 S433 Y434	P430-D432 VanDerWaalsContact CB-OD1 3.25Å; P430-D432 WeakPolarHBondContact CB-OD1 3.48Å; P430-D432 PolarHBondContact O-N 3.46Å; P430-D432 VanDerWaalsContact O-N 3.15Å; P430-S433 PolarHBondContact O-N 2.97Å; P430-S433 PolarHBondContact O-OG 3.09Å; P430-Y434 VanDerWaalsContact O-CD1 3.27Å; P430-Y434 WeakPolarHBondContact O-CD1 3.17Å; P430-Y434 WeakPolarHBondContact O-CE1 3.18Å
431	T	95.3	Very high	95.2	Very high	28 Å²	28	66.5 Å²	66.5	17%	0.172	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-61.7	-24.8	-176.9	43.9	0	0	0	0	113.2	T417 P429 S433 Y434 K500 G501 L502	T417-T431 HydrophobicContact CG2-CG2 3.83Å; P429-T431 PolarHBondContact O-N 2.79Å; T431-S433 VanDerWaalsContact C-N 3.29Å; T431-S433 PolarHBondContact O-N 3.16Å; T431-Y434 HydrophobicContact CG2-CE1 4.47Å; T431-K500 WeakPolarHBondContact CB-O 3.49Å; T431-K500 PolarHBondContact OG1-O 3.31Å; T431-G501 WeakPolarHBondContact O-CA 3.04Å; T431-L502 HydrophobicContact CG2-CD1 4.31Å; T431-L502 HydrophobicContact CG2-CD2 3.59Å; T431-L502 HydrophobicContact CG2-CG 3.98Å
432	D	93.7	Very high	95.3	Very high	71 Å²	71	67.5 Å²	67.5	38%	0.38	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-84.3	4.4	176.8	71.5	-33.3	0	0	0	114.5	P430 K500	P430-D432 VanDerWaalsContact CB-OD1 3.25Å; P430-D432 WeakPolarHBondContact CB-OD1 3.48Å; P430-D432 PolarHBondContact O-N 3.46Å; P430-D432 VanDerWaalsContact O-N 3.15Å; D432-K500 HydrophobicContact CB-CB 4.13Å; D432-K500 HydrophobicContact CB-CD 3.72Å; D432-K500 HydrophobicContact CB-CG 3.69Å; D432-K500 WeakPolarHBondContact OD2-CD 3.24Å; D432-K500 WeakPolarHBondContact OD2-CE 3.28Å; D432-K500 IonicContact OD2-NZ 3.1Å; D432-K500 PolarHBondContact OD2-NZ 3.11Å
433	S	95.4	Very high	95.3	Very high	30 Å²	30	60.9 Å²	60.9	21%	0.21	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-109.7	9.3	172.8	75	0	0	0	0	113.6	P430 T431 D435 S436 T439	P430-S433 PolarHBondContact O-N 2.97Å; P430-S433 PolarHBondContact O-OG 3.09Å; T431-S433 VanDerWaalsContact C-N 3.29Å; T431-S433 PolarHBondContact O-N 3.16Å; S433-D435 PolarHBondContact O-N 2.93Å; S433-D435 VanDerWaalsContact O-N 3.15Å; S433-S436 VanDerWaalsContact O-CB 3.32Å; S433-S436 WeakPolarHBondContact O-CB 3.24Å; S433-S436 PolarHBondContact O-N 2.67Å; S433-S436 PolarHBondContact O-OG 2.87Å; S433-T439 VanDerWaalsContact O-CB 3.3Å; S433-T439 WeakPolarHBondContact O-CB 3.49Å; S433-T439 PolarHBondContact O-OG1 2.7Å; S433-T439 PolarHBondContact OG-OG1 3.37Å; S433-T439 VanDerWaalsContact OG-OG1 3.1Å
434	Y	94.8	Very high	95.5	Very high	6 Å²	6	58.5 Å²	58.5	2%	0.024	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.7	-171.3	-82.1	24.8	0	0	0	114.7	T417 P429 P430 T431 T439 F443 T460 L464 P486 I488	T417-Y434 WeakPolarHBondContact CG2-OH 3.32Å; P429-Y434 HydrophobicContact CB-CE1 4.48Å; P429-Y434 WeakPolarHBondContact O-CE1 3.29Å; P430-Y434 VanDerWaalsContact O-CD1 3.27Å; P430-Y434 WeakPolarHBondContact O-CD1 3.17Å; P430-Y434 WeakPolarHBondContact O-CE1 3.18Å; T431-Y434 HydrophobicContact CG2-CE1 4.47Å; Y434-T439 HydrophobicContact CD1-CG2 3.68Å; Y434-T439 HydrophobicContact CE1-CG2 4.2Å; Y434-T439 HydrophobicContact CG-CG2 4.17Å; Y434-F443 HydrophobicContact CD1-CE2 4.39Å; Y434-F443 HydrophobicContact CD2-CE2 4.41Å; Y434-F443 HydrophobicContact CE1-CE2 4.09Å; Y434-F443 HydrophobicContact CE1-CZ 4.17Å; Y434-F443 HydrophobicContact CE2-CE2 4.14Å; Y434-F443 HydrophobicContact CE2-CZ 4.11Å; Y434-F443 AromaticContact CZ-CE2 3.97Å; Y434-F443 AromaticContact CZ-CZ 3.75Å; Y434-T460 WeakPolarHBondContact O-CG2 3.45Å; Y434-T460 PolarHBondContact O-OG1 2.95Å; Y434-L464 HydrophobicContact CD2-CD1 3.78Å; Y434-L464 HydrophobicContact CE2-CD1 3.78Å; Y434-P486 HydrophobicContact CD2-CB 3.68Å; Y434-P486 HydrophobicContact CD2-CG 3.73Å; Y434-P486 HydrophobicContact CE2-CB 4.08Å; Y434-P486 HydrophobicContact CE2-CG 3.58Å; Y434-I488 WeakPolarHBondContact O-CD1 3.3Å
435	D	89	Confident	95.7	Very high	125 Å²	125	62 Å²	62	67%	0.668	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.8	172.5	62.7	-23.4	0	0	0	113.9	S433	S433-D435 PolarHBondContact O-N 2.93Å; S433-D435 VanDerWaalsContact O-N 3.15Å
436	S	93.6	Very high	95.7	Very high	29 Å²	29	59 Å²	59	20%	0.203	30%	0.303	C	S	.	.	S	Bend	trans	-76.5	146.5	178.8	66.2	0	0	0	0	113.5	S433 E438 T439 R440	S433-S436 VanDerWaalsContact O-CB 3.32Å; S433-S436 WeakPolarHBondContact O-CB 3.24Å; S433-S436 PolarHBondContact O-N 2.67Å; S433-S436 PolarHBondContact O-OG 2.87Å; S436-E438 WeakPolarHBondContact CB-OE2 3.3Å; S436-E438 PolarHBondContact O-N 3.08Å; S436-T439 PolarHBondContact O-N 3Å; S436-T439 VanDerWaalsContact O-N 3.14Å; S436-T439 WeakPolarHBondContact OG-CB 3.32Å; S436-T439 PolarHBondContact OG-N 3.01Å; S436-T439 PolarHBondContact OG-OG1 2.92Å; S436-R440 PolarHBondContact O-N 3.2Å
437	D	93.3	Very high	95.9	Very high	124 Å²	124	56.5 Å²	56.5	66%	0.663	29%	0.288	S	S	*	.	H	α-helix	trans	-61.2	-32.9	173.6	-84.3	-32.7	0	0	0	112.2	R440 K441	D437-R440 PolarHBondContact O-N 2.66Å; D437-K441 WeakPolarHBondContact O-CB 3.31Å; D437-K441 PolarHBondContact O-N 3.49Å
438	E	96	Very high	95.8	Very high	146 Å²	146	53 Å²	53	68%	0.682	29%	0.286	S	S	*	.	H	α-helix	trans	-62.3	-43.3	174.9	-66.4	75.9	-165.9	0	0	111.4	S436 K441 F442	S436-E438 WeakPolarHBondContact CB-OE2 3.3Å; S436-E438 PolarHBondContact O-N 3.08Å; E438-K441 PolarHBondContact O-N 2.9Å; E438-F442 PolarHBondContact O-N 2.81Å
439	T	96.2	Very high	95.8	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-71.1	-39.3	178.2	-61	0	0	0	0	111.3	P429 S433 Y434 S436 K441 F442 F443	P429-T439 HydrophobicContact CB-CG2 4.03Å; P429-T439 HydrophobicContact CG-CG2 3.96Å; S433-T439 VanDerWaalsContact O-CB 3.3Å; S433-T439 WeakPolarHBondContact O-CB 3.49Å; S433-T439 PolarHBondContact O-OG1 2.7Å; S433-T439 PolarHBondContact OG-OG1 3.37Å; S433-T439 VanDerWaalsContact OG-OG1 3.1Å; Y434-T439 HydrophobicContact CD1-CG2 3.68Å; Y434-T439 HydrophobicContact CE1-CG2 4.2Å; Y434-T439 HydrophobicContact CG-CG2 4.17Å; S436-T439 PolarHBondContact O-N 3Å; S436-T439 VanDerWaalsContact O-N 3.14Å; S436-T439 WeakPolarHBondContact OG-CB 3.32Å; S436-T439 PolarHBondContact OG-N 3.01Å; S436-T439 PolarHBondContact OG-OG1 2.92Å; T439-K441 VanDerWaalsContact C-N 3.31Å; T439-K441 PolarHBondContact O-N 2.78Å; T439-F442 WeakPolarHBondContact O-CB 3.5Å; T439-F442 PolarHBondContact O-N 3.09Å; T439-F443 HydrophobicContact CG2-CD2 3.74Å; T439-F443 HydrophobicContact CG2-CE2 3.45Å; T439-F443 VanDerWaalsContact CG2-CE2 3.45Å; T439-F443 VanDerWaalsContact O-CD2 3.29Å; T439-F443 WeakPolarHBondContact O-CD2 3.45Å; T439-F443 PolarHBondContact O-N 3.42Å; T439-F443 VanDerWaalsContact O-N 3.08Å
440	R	96.4	Very high	95.7	Very high	76 Å²	76	61.9 Å²	61.9	29%	0.287	32%	0.324	S	S	.	.	H	α-helix	trans	-56	-48.4	171.7	-167.3	-157.1	70.7	71.7	5	110.8	S436 D437 F442 F443 D444 R458 T460 L463	S436-R440 PolarHBondContact O-N 3.2Å; D437-R440 PolarHBondContact O-N 2.66Å; R440-F442 PolarHBondContact O-N 3.33Å; R440-F443 PolarHBondContact O-N 2.98Å; R440-D444 IonicContact CZ-OD2 2.76Å; R440-D444 IonicContact NH1-OD2 3.19Å; R440-D444 PolarHBondContact NH1-OD2 3.29Å; R440-D444 WeakPolarHBondContact O-CB 3.36Å; R440-D444 PolarHBondContact O-N 3.45Å; R440-R458 WeakPolarHBondContact CD-O 3.43Å; R440-R458 PolarHBondContact NH1-O 3.37Å; R440-T460 WeakPolarHBondContact CA-OG1 3.21Å; R440-T460 WeakPolarHBondContact CB-OG1 3.36Å; R440-L463 HydrophobicContact CG-CD1 4.31Å
441	K	97.4	Very high	95.7	Very high	110 Å²	110	60.9 Å²	60.9	48%	0.478	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-40.7	178.1	177.9	164.2	174.6	40.1	0	112.2	D437 E438 T439 F443 D444 D445	D437-K441 WeakPolarHBondContact O-CB 3.31Å; D437-K441 PolarHBondContact O-N 3.49Å; E438-K441 PolarHBondContact O-N 2.9Å; T439-K441 VanDerWaalsContact C-N 3.31Å; T439-K441 PolarHBondContact O-N 2.78Å; K441-F443 PolarHBondContact O-N 2.89Å; K441-D444 WeakPolarHBondContact O-CB 3.3Å; K441-D444 PolarHBondContact O-N 3.19Å; K441-D445 IonicContact NZ-OD1 3.4Å; K441-D445 PolarHBondContact NZ-OD1 2.77Å; K441-D445 IonicContact NZ-OD2 2.91Å; K441-D445 PolarHBondContact NZ-OD2 2.88Å; K441-D445 WeakPolarHBondContact O-CB 3.3Å; K441-D445 VanDerWaalsContact O-CG 3.28Å; K441-D445 PolarHBondContact O-N 2.68Å
442	F	98	Very high	95.8	Very high	57 Å²	57	59.8 Å²	59.8	25%	0.25	32%	0.323	C	S	.	.	H	α-helix	trans	-56.7	-50	175	171	-89.9	0	0	0	111.8	V426 F428 P429 E438 T439 R440 D444 D445 L446	V426-F442 HydrophobicContact CG1-CE2 4.19Å; V426-F442 HydrophobicContact CG1-CZ 3.98Å; F428-F442 AromaticContact CD1-CE1 3.79Å; F428-F442 HydrophobicContact CD1-CE1 3.79Å; F428-F442 AromaticContact CD1-CZ 3.92Å; F428-F442 HydrophobicContact CD1-CZ 3.92Å; F428-F442 HydrophobicContact CE1-CE1 4.27Å; F428-F442 HydrophobicContact CE1-CZ 4.48Å; F428-F442 HydrophobicContact CG-CE1 4.28Å; P429-F442 VanDerWaalsContact CD-CD1 3.41Å; P429-F442 VanDerWaalsContact CD-CE1 3.41Å; P429-F442 HydrophobicContact CG-CB 4.16Å; P429-F442 HydrophobicContact CG-CD1 3.76Å; P429-F442 HydrophobicContact CG-CD2 4.35Å; P429-F442 HydrophobicContact CG-CE1 4.26Å; P429-F442 HydrophobicContact CG-CG 3.82Å; E438-F442 PolarHBondContact O-N 2.81Å; T439-F442 WeakPolarHBondContact O-CB 3.5Å; T439-F442 PolarHBondContact O-N 3.09Å; R440-F442 PolarHBondContact O-N 3.33Å; F442-D444 VanDerWaalsContact C-N 3.32Å; F442-D444 PolarHBondContact O-N 3.48Å; F442-D445 PolarHBondContact O-N 3.02Å; F442-L446 HydrophobicContact CE1-CD2 4.14Å; F442-L446 HydrophobicContact CZ-CD2 4.5Å; F442-L446 WeakPolarHBondContact O-CB 3.5Å; F442-L446 PolarHBondContact O-N 3.27Å
443	F	97.8	Very high	95.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-69.1	-30.7	179.2	-73.3	-62.3	0	0	0	112.9	F428 Y434 T439 R440 K441 L446 C447 T460 L463 L464 L467	F428-F443 HydrophobicContact CD1-CE1 4.47Å; F428-F443 AromaticContact CD2-CE1 3.78Å; F428-F443 HydrophobicContact CD2-CE1 3.78Å; F428-F443 AromaticContact CD2-CZ 3.92Å; F428-F443 HydrophobicContact CD2-CZ 3.92Å; F428-F443 HydrophobicContact CE1-CE1 4.42Å; F428-F443 AromaticContact CE2-CE1 3.73Å; F428-F443 HydrophobicContact CE2-CE1 3.73Å; F428-F443 HydrophobicContact CE2-CZ 4.28Å; F428-F443 HydrophobicContact CG-CE1 4.16Å; F428-F443 HydrophobicContact CG-CZ 4.29Å; F428-F443 HydrophobicContact CZ-CE1 4.06Å; Y434-F443 HydrophobicContact CD1-CE2 4.39Å; Y434-F443 HydrophobicContact CD2-CE2 4.41Å; Y434-F443 HydrophobicContact CE1-CE2 4.09Å; Y434-F443 HydrophobicContact CE1-CZ 4.17Å; Y434-F443 HydrophobicContact CE2-CE2 4.14Å; Y434-F443 HydrophobicContact CE2-CZ 4.11Å; Y434-F443 AromaticContact CZ-CE2 3.97Å; Y434-F443 AromaticContact CZ-CZ 3.75Å; T439-F443 HydrophobicContact CG2-CD2 3.74Å; T439-F443 HydrophobicContact CG2-CE2 3.45Å; T439-F443 VanDerWaalsContact CG2-CE2 3.45Å; T439-F443 VanDerWaalsContact O-CD2 3.29Å; T439-F443 WeakPolarHBondContact O-CD2 3.45Å; T439-F443 PolarHBondContact O-N 3.42Å; T439-F443 VanDerWaalsContact O-N 3.08Å; R440-F443 PolarHBondContact O-N 2.98Å; K441-F443 PolarHBondContact O-N 2.89Å; F443-L446 HydrophobicContact CD1-CD2 4.29Å; F443-L446 PolarHBondContact O-N 3.05Å; F443-C447 WeakPolarHBondContact O-CB 3.32Å; F443-C447 PolarHBondContact O-N 2.83Å; F443-C447 PolarHBondContact O-SG 2.92Å; F443-T460 HydrophobicContact CD2-CG2 3.8Å; F443-T460 HydrophobicContact CE2-CG2 4.13Å; F443-L463 HydrophobicContact CB-CB 4.04Å; F443-L463 HydrophobicContact CB-CD1 4.18Å; F443-L464 HydrophobicContact CD1-CD2 3.91Å; F443-L464 HydrophobicContact CD1-CG 4.46Å; F443-L464 HydrophobicContact CD2-CD2 4.47Å; F443-L464 HydrophobicContact CD2-CG 4.39Å; F443-L464 HydrophobicContact CE1-CD2 3.51Å; F443-L464 HydrophobicContact CE1-CG 4.39Å; F443-L464 HydrophobicContact CE2-CD1 4.33Å; F443-L464 HydrophobicContact CE2-CD2 4.09Å; F443-L464 HydrophobicContact CE2-CG 4.27Å; F443-L464 HydrophobicContact CG-CD2 4.39Å; F443-L464 HydrophobicContact CG-CG 4.47Å; F443-L464 HydrophobicContact CZ-CD2 3.61Å; F443-L464 HydrophobicContact CZ-CG 4.3Å; F443-L467 HydrophobicContact CD1-CD1 3.81Å
444	D	97.6	Very high	95.8	Very high	30 Å²	30	63.4 Å²	63.4	16%	0.16	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-50.6	174.4	-158.7	-36	0	0	0	110.9	R440 K441 F442 L446 C447 A448 R458 L463	R440-D444 IonicContact CZ-OD2 2.76Å; R440-D444 IonicContact NH1-OD2 3.19Å; R440-D444 PolarHBondContact NH1-OD2 3.29Å; R440-D444 WeakPolarHBondContact O-CB 3.36Å; R440-D444 PolarHBondContact O-N 3.45Å; K441-D444 WeakPolarHBondContact O-CB 3.3Å; K441-D444 PolarHBondContact O-N 3.19Å; F442-D444 VanDerWaalsContact C-N 3.32Å; F442-D444 PolarHBondContact O-N 3.48Å; D444-L446 VanDerWaalsContact C-N 3.31Å; D444-L446 PolarHBondContact O-N 2.84Å; D444-C447 PolarHBondContact O-N 2.82Å; D444-A448 PolarHBondContact O-N 2.73Å; D444-R458 VanDerWaalsContact CG-NE 3.29Å; D444-R458 IonicContact OD1-CZ 2.76Å; D444-R458 IonicContact OD1-NE 3.53Å; D444-R458 PolarHBondContact OD1-NE 2.94Å; D444-R458 IonicContact OD1-NH2 3.12Å; D444-R458 PolarHBondContact OD1-NH2 3.02Å; D444-R458 IonicContact OD2-NE 3.44Å; D444-R458 PolarHBondContact OD2-NE 3.31Å; D444-R458 VanDerWaalsContact OD2-NE 3.1Å; D444-L463 HydrophobicContact CB-CD1 3.95Å
445	D	97.8	Very high	95.7	Very high	81 Å²	81	66.6 Å²	66.6	43%	0.433	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-38.3	176.8	-67.3	-22.1	0	0	0	110.8	K441 F442 A448 Q449	K441-D445 IonicContact NZ-OD1 3.4Å; K441-D445 PolarHBondContact NZ-OD1 2.77Å; K441-D445 IonicContact NZ-OD2 2.91Å; K441-D445 PolarHBondContact NZ-OD2 2.88Å; K441-D445 WeakPolarHBondContact O-CB 3.3Å; K441-D445 VanDerWaalsContact O-CG 3.28Å; K441-D445 PolarHBondContact O-N 2.68Å; F442-D445 PolarHBondContact O-N 3.02Å; D445-A448 PolarHBondContact O-N 2.8Å; D445-Q449 WeakPolarHBondContact O-CB 3.18Å; D445-Q449 PolarHBondContact O-N 3.09Å
446	L	97.1	Very high	95.7	Very high	5 Å²	5	66 Å²	66	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-44.2	175.5	-176.8	61.5	0	0	0	112.1	M424 F428 F442 F443 D444 A448 Q449 K450 L467	M424-L446 HydrophobicContact CG-CD2 4.26Å; F428-L446 HydrophobicContact CE1-CD2 3.68Å; F428-L446 HydrophobicContact CZ-CD2 4Å; F442-L446 HydrophobicContact CE1-CD2 4.14Å; F442-L446 HydrophobicContact CZ-CD2 4.5Å; F442-L446 WeakPolarHBondContact O-CB 3.5Å; F442-L446 PolarHBondContact O-N 3.27Å; F443-L446 HydrophobicContact CD1-CD2 4.29Å; F443-L446 PolarHBondContact O-N 3.05Å; D444-L446 VanDerWaalsContact C-N 3.31Å; D444-L446 PolarHBondContact O-N 2.84Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.06Å; L446-Q449 PolarHBondContact O-N 2.89Å; L446-K450 HydrophobicContact CD1-CG 4.03Å; L446-K450 HydrophobicContact CG-CG 4.45Å; L446-K450 WeakPolarHBondContact O-CB 3.13Å; L446-K450 VanDerWaalsContact O-CG 3.29Å; L446-K450 WeakPolarHBondContact O-CG 3.08Å; L446-K450 PolarHBondContact O-N 2.69Å; L446-L467 HydrophobicContact CD2-CD1 4.11Å; L446-L467 HydrophobicContact CG-CD2 4.42Å
447	C	97.5	Very high	95.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-58.2	-46.4	173.8	-72.7	0	0	0	0	110.8	F443 D444 Q449 K450 G451 V452 L463	F443-C447 WeakPolarHBondContact O-CB 3.32Å; F443-C447 PolarHBondContact O-N 2.83Å; F443-C447 PolarHBondContact O-SG 2.92Å; D444-C447 PolarHBondContact O-N 2.82Å; C447-Q449 PolarHBondContact O-N 3.07Å; C447-K450 CarbonylContact O-C 3.52Å; C447-K450 PolarHBondContact O-N 3.24Å; C447-G451 PolarHBondContact O-N 3.5Å; C447-V452 HydrophobicContact CB-CB 4.12Å; C447-V452 PolarHBondContact O-N 2.93Å; C447-L463 HydrophobicContact CB-CD2 4.25Å
448	A	95.9	Very high	95.5	Very high	72 Å²	72	63.8 Å²	63.8	60%	0.595	34%	0.342	S	S	*	.	H	α-helix	trans	-61.3	-42.3	177.6	0	0	0	0	0	112.2	D444 D445 L446 K450 G451	D444-A448 PolarHBondContact O-N 2.73Å; D445-A448 PolarHBondContact O-N 2.8Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.06Å; A448-K450 VanDerWaalsContact C-N 3.32Å; A448-K450 PolarHBondContact O-N 2.73Å; A448-G451 PolarHBondContact O-N 2.88Å
449	Q	96.4	Very high	95.3	Very high	145 Å²	145	58.8 Å²	58.8	68%	0.678	32%	0.322	S	S	*	.	H	α-helix	trans	-64.1	-36.8	177.1	-173.7	-175.8	9.5	0	0	112.6	D445 L446 C447	D445-Q449 WeakPolarHBondContact O-CB 3.18Å; D445-Q449 PolarHBondContact O-N 3.09Å; L446-Q449 PolarHBondContact O-N 2.89Å; C447-Q449 PolarHBondContact O-N 3.07Å
450	K	95.4	Very high	95.2	Very high	76 Å²	76	59 Å²	59	33%	0.33	32%	0.323	S	S	.	.	H	α-helix	trans	-90.2	-5.1	-177.5	-63.4	-67.6	-178.2	169.6	0	113.5	M424 L446 C447 A448 V452 F471	M424-K450 PolarHBondContact O-NZ 2.77Å; M424-K450 VanDerWaalsContact O-NZ 3.12Å; M424-K450 HydrophobicContact SD-CD 4.04Å; M424-K450 HydrophobicContact SD-CG 3.97Å; L446-K450 HydrophobicContact CD1-CG 4.03Å; L446-K450 HydrophobicContact CG-CG 4.45Å; L446-K450 WeakPolarHBondContact O-CB 3.13Å; L446-K450 VanDerWaalsContact O-CG 3.29Å; L446-K450 WeakPolarHBondContact O-CG 3.08Å; L446-K450 PolarHBondContact O-N 2.69Å; C447-K450 CarbonylContact O-C 3.52Å; C447-K450 PolarHBondContact O-N 3.24Å; A448-K450 VanDerWaalsContact C-N 3.32Å; A448-K450 PolarHBondContact O-N 2.73Å; K450-V452 HydrophobicContact CB-CG2 4.1Å; K450-F471 HydrophobicContact CB-CE2 4.09Å; K450-F471 HydrophobicContact CB-CZ 3.97Å; K450-F471 HydrophobicContact CD-CZ 4.37Å; K450-F471 HydrophobicContact CG-CE2 4.5Å; K450-F471 HydrophobicContact CG-CZ 4.38Å
451	G	95.8	Very high	95.1	Very high	63 Å²	63	56.3 Å²	56.3	65%	0.649	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	25.9	-178.8	0	0	0	0	0	113.9	C447 A448	C447-G451 PolarHBondContact O-N 3.5Å; A448-G451 PolarHBondContact O-N 2.88Å
452	V	96.6	Very high	94.8	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.036	31%	0.305	C	S	.	.			trans	-87.4	122.8	179.2	178.2	0	0	0	0	109.9	C447 K450 K466 L467 D470 F471	C447-V452 HydrophobicContact CB-CB 4.12Å; C447-V452 PolarHBondContact O-N 2.93Å; K450-V452 HydrophobicContact CB-CG2 4.1Å; V452-K466 HydrophobicContact CG1-CB 3.56Å; V452-L467 HydrophobicContact CG2-CD2 4.09Å; V452-D470 HydrophobicContact CG2-CB 4.33Å; V452-F471 HydrophobicContact CG2-CE2 3.64Å; V452-F471 HydrophobicContact CG2-CZ 4.38Å
453	E	95.3	Very high	94.7	Very high	168 Å²	168	51.1 Å²	51.1	79%	0.785	29%	0.293	S	S	*	.			trans	-81.9	133.1	177.6	-65.5	-169.7	170	0	0	111.4
454	C	94.5	Very high	94.7	Very high	8 Å²	8	51.3 Å²	51.3	5%	0.054	29%	0.294	C	S	.	.			trans	-138.9	106.4	172.2	178.5	0	0	0	0	109.3	R458 L463 K466	C454-R458 WeakPolarHBondContact O-CG 3.45Å; C454-R458 PolarHBondContact O-NH1 2.83Å; C454-L463 HydrophobicContact CB-CD2 3.87Å; C454-K466 HydrophobicContact CB-CG 4.07Å
455	P	91.8	Very high	94.5	Very high	74 Å²	74	53 Å²	53	48%	0.481	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-61.5	150.4	175.6	-23.2	33.9	0	0	0	112.2	R462	P455-R462 PolarHBondContact O-NH2 2.89Å
456	P	89.4	Confident	94.5	Very high	111 Å²	111	52.8 Å²	52.8	72%	0.721	30%	0.298	S	S	*	.	S	Bend	trans	-55.9	148.7	174.3	-23.8	33.8	0	0	0	112.8
457	P	90.3	Very high	94.5	Very high	42 Å²	42	52.5 Å²	52.5	27%	0.273	30%	0.297	S	S	.	.	S	Bend	cis	-72.6	142.9	-7	30.3	-34.1	0	0	0	112.3	T459 R462 D543	P457-T459 VanDerWaalsContact C-N 3.33Å; P457-T459 HydrophobicContact CB-CG2 4.14Å; P457-T459 HydrophobicContact CG-CG2 4.35Å; P457-T459 PolarHBondContact O-N 3.16Å; P457-R462 WeakPolarHBondContact O-CD 3.41Å; P457-R462 PolarHBondContact O-NE 3.12Å; P457-D543 HydrophobicContact CG-CB 4.31Å
458	R	92.3	Very high	94.5	Very high	65 Å²	65	52.6 Å²	52.6	25%	0.245	30%	0.298	C	S	.	.			trans	-92.8	61.9	-179.5	-67	177	69	84.1	-4.2	111	R440 D444 C454 L463	R440-R458 WeakPolarHBondContact CD-O 3.43Å; R440-R458 PolarHBondContact NH1-O 3.37Å; D444-R458 VanDerWaalsContact CG-NE 3.29Å; D444-R458 IonicContact OD1-CZ 2.76Å; D444-R458 IonicContact OD1-NE 3.53Å; D444-R458 PolarHBondContact OD1-NE 2.94Å; D444-R458 IonicContact OD1-NH2 3.12Å; D444-R458 PolarHBondContact OD1-NH2 3.02Å; D444-R458 IonicContact OD2-NE 3.44Å; D444-R458 PolarHBondContact OD2-NE 3.31Å; D444-R458 VanDerWaalsContact OD2-NE 3.1Å; C454-R458 WeakPolarHBondContact O-CG 3.45Å; C454-R458 PolarHBondContact O-NH1 2.83Å; R458-L463 HydrophobicContact CB-CD1 4.45Å; R458-L463 HydrophobicContact CB-CD2 4.32Å; R458-L463 HydrophobicContact CB-CG 4.46Å
459	T	91.9	Very high	94.4	Very high	42 Å²	42	50 Å²	50	26%	0.258	28%	0.277	S	S	.	.			trans	-73.9	157.1	177	65.2	0	0	0	0	110.7	P457 A461 R462 L463	P457-T459 VanDerWaalsContact C-N 3.33Å; P457-T459 HydrophobicContact CB-CG2 4.14Å; P457-T459 HydrophobicContact CG-CG2 4.35Å; P457-T459 PolarHBondContact O-N 3.16Å; T459-A461 PolarHBondContact O-N 3.5Å; T459-R462 PolarHBondContact O-N 3.39Å; T459-R462 WeakPolarHBondContact OG1-CG 3.44Å; T459-R462 PolarHBondContact OG1-N 3.04Å; T459-L463 VanDerWaalsContact O-CG 3.28Å; T459-L463 WeakPolarHBondContact O-CG 3.4Å; T459-L463 PolarHBondContact O-N 2.89Å
460	T	94.3	Very high	94.4	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.043	27%	0.267	C	S	.	.	H	α-helix	trans	-54.9	-42.4	177.8	-57	0	0	0	0	111.6	Y434 R440 F443 L463 L464	Y434-T460 WeakPolarHBondContact O-CG2 3.45Å; Y434-T460 PolarHBondContact O-OG1 2.95Å; R440-T460 WeakPolarHBondContact CA-OG1 3.21Å; R440-T460 WeakPolarHBondContact CB-OG1 3.36Å; F443-T460 HydrophobicContact CD2-CG2 3.8Å; F443-T460 HydrophobicContact CE2-CG2 4.13Å; T460-L463 PolarHBondContact O-N 2.79Å; T460-L464 HydrophobicContact CG2-CD1 3.92Å; T460-L464 HydrophobicContact CG2-CG 4.46Å; T460-L464 WeakPolarHBondContact O-CB 3.25Å; T460-L464 WeakPolarHBondContact O-CG 3.38Å; T460-L464 PolarHBondContact O-N 3.48Å
461	A	92.9	Very high	94.4	Very high	21 Å²	21	46.1 Å²	46.1	17%	0.174	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-47.6	177.9	0	0	0	0	0	112.6	T459 L464 D465 M489	T459-A461 PolarHBondContact O-N 3.5Å; A461-L464 PolarHBondContact O-N 2.94Å; A461-D465 WeakPolarHBondContact O-CB 3.03Å; A461-D465 PolarHBondContact O-N 3.06Å; A461-M489 HydrophobicContact CB-CG 3.84Å
462	R	92.5	Very high	94.4	Very high	58 Å²	58	43.2 Å²	43.2	22%	0.219	23%	0.232	C	C	.	.	H	α-helix	trans	-69.5	-35.4	-179.8	-70.5	170.3	62.3	98.5	-1.2	112.6	P455 P457 T459 K466 E545	P455-R462 PolarHBondContact O-NH2 2.89Å; P457-R462 WeakPolarHBondContact O-CD 3.41Å; P457-R462 PolarHBondContact O-NE 3.12Å; T459-R462 PolarHBondContact O-N 3.39Å; T459-R462 WeakPolarHBondContact OG1-CG 3.44Å; T459-R462 PolarHBondContact OG1-N 3.04Å; R462-K466 VanDerWaalsContact O-CG 3.29Å; R462-K466 WeakPolarHBondContact O-CG 3.22Å; R462-K466 PolarHBondContact O-N 3.45Å; R462-K466 VanDerWaalsContact O-N 3.14Å; R462-E545 IonicContact NH1-OE2 3.92Å
463	L	96.1	Very high	94.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-45	175.1	-69.3	164.8	0	0	0	111.2	R440 F443 D444 C447 C454 R458 T459 T460 K466 L467	R440-L463 HydrophobicContact CG-CD1 4.31Å; F443-L463 HydrophobicContact CB-CB 4.04Å; F443-L463 HydrophobicContact CB-CD1 4.18Å; D444-L463 HydrophobicContact CB-CD1 3.95Å; C447-L463 HydrophobicContact CB-CD2 4.25Å; C454-L463 HydrophobicContact CB-CD2 3.87Å; R458-L463 HydrophobicContact CB-CD1 4.45Å; R458-L463 HydrophobicContact CB-CD2 4.32Å; R458-L463 HydrophobicContact CB-CG 4.46Å; T459-L463 VanDerWaalsContact O-CG 3.28Å; T459-L463 WeakPolarHBondContact O-CG 3.4Å; T459-L463 PolarHBondContact O-N 2.89Å; T460-L463 PolarHBondContact O-N 2.79Å; L463-K466 PolarHBondContact O-N 3.09Å; L463-L467 WeakPolarHBondContact O-CG 3.34Å; L463-L467 PolarHBondContact O-N 2.99Å
464	L	96.3	Very high	94.5	Very high	3 Å²	3	40 Å²	40	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-46.8	174.5	-79.6	170.1	0	0	0	111.9	L420 Y434 F443 T460 A461 K466 L467 V468 P486 M489	L420-L464 HydrophobicContact CD2-CD2 4.38Å; Y434-L464 HydrophobicContact CD2-CD1 3.78Å; Y434-L464 HydrophobicContact CE2-CD1 3.78Å; F443-L464 HydrophobicContact CD1-CD2 3.91Å; F443-L464 HydrophobicContact CD1-CG 4.46Å; F443-L464 HydrophobicContact CD2-CD2 4.47Å; F443-L464 HydrophobicContact CD2-CG 4.39Å; F443-L464 HydrophobicContact CE1-CD2 3.51Å; F443-L464 HydrophobicContact CE1-CG 4.39Å; F443-L464 HydrophobicContact CE2-CD1 4.33Å; F443-L464 HydrophobicContact CE2-CD2 4.09Å; F443-L464 HydrophobicContact CE2-CG 4.27Å; F443-L464 HydrophobicContact CG-CD2 4.39Å; F443-L464 HydrophobicContact CG-CG 4.47Å; F443-L464 HydrophobicContact CZ-CD2 3.61Å; F443-L464 HydrophobicContact CZ-CG 4.3Å; T460-L464 HydrophobicContact CG2-CD1 3.92Å; T460-L464 HydrophobicContact CG2-CG 4.46Å; T460-L464 WeakPolarHBondContact O-CB 3.25Å; T460-L464 WeakPolarHBondContact O-CG 3.38Å; T460-L464 PolarHBondContact O-N 3.48Å; A461-L464 PolarHBondContact O-N 2.94Å; L464-K466 VanDerWaalsContact C-N 3.29Å; L464-K466 PolarHBondContact O-N 3.17Å; L464-L467 PolarHBondContact O-N 3.41Å; L464-L467 VanDerWaalsContact O-N 3.16Å; L464-V468 WeakPolarHBondContact O-CB 3.29Å; L464-V468 VanDerWaalsContact O-CG2 3.22Å; L464-V468 WeakPolarHBondContact O-CG2 3.41Å; L464-V468 PolarHBondContact O-N 3.45Å; L464-P486 HydrophobicContact CD1-CG 4.13Å; L464-M489 HydrophobicContact CB-CE 4.34Å; L464-M489 HydrophobicContact CB-SD 3.8Å; L464-M489 HydrophobicContact CD1-SD 4.06Å
465	D	95.2	Very high	94.6	Very high	67 Å²	67	43 Å²	43	36%	0.358	24%	0.239	S	C	.	.	H	α-helix	trans	-50.5	-47.9	174.5	172	78	0	0	0	111.7	A461 V468 G469 M489	A461-D465 WeakPolarHBondContact O-CB 3.03Å; A461-D465 PolarHBondContact O-N 3.06Å; D465-V468 PolarHBondContact O-N 3Å; D465-G469 PolarHBondContact O-N 3.3Å; D465-M489 HydrophobicContact CB-CE 4.2Å
466	K	96.3	Very high	94.9	Very high	75 Å²	75	39.5 Å²	39.5	33%	0.326	22%	0.216	S	C	.	.	H	α-helix	trans	-68.1	-39.9	179.4	-63.3	-72.5	164.9	-99.1	0	113.1	V452 C454 R462 L463 L464 G469 D470	V452-K466 HydrophobicContact CG1-CB 3.56Å; C454-K466 HydrophobicContact CB-CG 4.07Å; R462-K466 VanDerWaalsContact O-CG 3.29Å; R462-K466 WeakPolarHBondContact O-CG 3.22Å; R462-K466 PolarHBondContact O-N 3.45Å; R462-K466 VanDerWaalsContact O-N 3.14Å; L463-K466 PolarHBondContact O-N 3.09Å; L464-K466 VanDerWaalsContact C-N 3.29Å; L464-K466 PolarHBondContact O-N 3.17Å; K466-G469 PolarHBondContact O-N 3.1Å; K466-D470 PolarHBondContact O-N 3.06Å
467	L	97.1	Very high	95.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-41.7	174.3	-74	164.6	0	0	0	111.8	L420 M424 F443 L446 V452 L463 L464 F471	L420-L467 HydrophobicContact CD1-CB 4.42Å; L420-L467 HydrophobicContact CD2-CB 3.91Å; M424-L467 HydrophobicContact SD-CD2 4.45Å; F443-L467 HydrophobicContact CD1-CD1 3.81Å; L446-L467 HydrophobicContact CD2-CD1 4.11Å; L446-L467 HydrophobicContact CG-CD2 4.42Å; V452-L467 HydrophobicContact CG2-CD2 4.09Å; L463-L467 WeakPolarHBondContact O-CG 3.34Å; L463-L467 PolarHBondContact O-N 2.99Å; L464-L467 PolarHBondContact O-N 3.41Å; L464-L467 VanDerWaalsContact O-N 3.16Å; L467-F471 HydrophobicContact CD2-CD2 4.32Å; L467-F471 HydrophobicContact CD2-CE2 4.18Å; L467-F471 WeakPolarHBondContact O-CB 3.38Å; L467-F471 WeakPolarHBondContact O-CD2 3.48Å; L467-F471 PolarHBondContact O-N 2.94Å; L467-F471 VanDerWaalsContact O-N 3.12Å
468	V	97.3	Very high	95.7	Very high	2 Å²	2	36 Å²	36	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-46.8	175.9	170.4	0	0	0	0	110	M416 L420 L464 D465 D470 F471 L472 E473 I482	M416-V468 HydrophobicContact CE-CB 4.48Å; M416-V468 HydrophobicContact CE-CG1 4.01Å; M416-V468 HydrophobicContact CE-CG2 3.84Å; M416-V468 HydrophobicContact CG-CG2 3.77Å; M416-V468 HydrophobicContact SD-CG2 3.96Å; L420-V468 HydrophobicContact CD2-CG2 4.05Å; L464-V468 WeakPolarHBondContact O-CB 3.29Å; L464-V468 VanDerWaalsContact O-CG2 3.22Å; L464-V468 WeakPolarHBondContact O-CG2 3.41Å; L464-V468 PolarHBondContact O-N 3.45Å; D465-V468 PolarHBondContact O-N 3Å; V468-D470 PolarHBondContact O-N 3.43Å; V468-F471 PolarHBondContact O-N 3.05Å; V468-L472 HydrophobicContact CG1-CB 4.17Å; V468-L472 HydrophobicContact CG1-CD1 4.36Å; V468-L472 HydrophobicContact CG2-CD1 4.3Å; V468-L472 WeakPolarHBondContact O-CA 3.45Å; V468-L472 WeakPolarHBondContact O-CB 3.43Å; V468-L472 PolarHBondContact O-N 3.22Å; V468-E473 HydrophobicContact CG1-CG 4.06Å; V468-E473 PolarHBondContact O-N 2.92Å; V468-I482 HydrophobicContact CG1-CD1 4.35Å
469	G	95.1	Very high	96	Very high	16 Å²	16	33.1 Å²	33.1	17%	0.165	18%	0.182	C	C	.	.	H	α-helix	trans	-53.1	-51	176.4	0	0	0	0	0	113.2	D465 K466	D465-G469 PolarHBondContact O-N 3.3Å; K466-G469 PolarHBondContact O-N 3.1Å
470	D	95.9	Very high	96.3	Very high	86 Å²	86	31.5 Å²	31.5	46%	0.46	17%	0.172	S	C	.	.	H	α-helix	trans	-77.9	-24.7	-173.5	-77.2	-0	0	0	0	113.8	V452 K466 V468 V474	V452-D470 HydrophobicContact CG2-CB 4.33Å; K466-D470 PolarHBondContact O-N 3.06Å; V468-D470 PolarHBondContact O-N 3.43Å; D470-V474 VanDerWaalsContact O-CG2 3.29Å; D470-V474 WeakPolarHBondContact O-CG2 3.46Å
471	F	96.4	Very high	96.5	Very high	54 Å²	54	31.1 Å²	31.1	24%	0.237	17%	0.17	C	C	.	.	H	α-helix	trans	-121.2	-28.8	-170.4	-65.9	-74.6	0	0	0	115.9	L420 I423 M424 K450 V452 L467 V468	L420-F471 HydrophobicContact CD1-CB 3.94Å; I423-F471 HydrophobicContact CG2-CB 4.22Å; I423-F471 HydrophobicContact CG2-CD1 4.35Å; M424-F471 HydrophobicContact CE-CB 3.68Å; M424-F471 HydrophobicContact CE-CD1 3.4Å; M424-F471 VanDerWaalsContact CE-CD1 3.4Å; M424-F471 HydrophobicContact CE-CD2 3.34Å; M424-F471 HydrophobicContact CE-CE1 3.79Å; M424-F471 HydrophobicContact CE-CE2 3.73Å; M424-F471 HydrophobicContact CE-CG 3.17Å; M424-F471 HydrophobicContact CE-CZ 3.95Å; M424-F471 HydrophobicContact SD-CD2 4.2Å; M424-F471 HydrophobicContact SD-CE2 4.18Å; K450-F471 HydrophobicContact CB-CE2 4.09Å; K450-F471 HydrophobicContact CB-CZ 3.97Å; K450-F471 HydrophobicContact CD-CZ 4.37Å; K450-F471 HydrophobicContact CG-CE2 4.5Å; K450-F471 HydrophobicContact CG-CZ 4.38Å; V452-F471 HydrophobicContact CG2-CE2 3.64Å; V452-F471 HydrophobicContact CG2-CZ 4.38Å; L467-F471 HydrophobicContact CD2-CD2 4.32Å; L467-F471 HydrophobicContact CD2-CE2 4.18Å; L467-F471 WeakPolarHBondContact O-CB 3.38Å; L467-F471 WeakPolarHBondContact O-CD2 3.48Å; L467-F471 PolarHBondContact O-N 2.94Å; L467-F471 VanDerWaalsContact O-N 3.12Å; V468-F471 PolarHBondContact O-N 3.05Å
472	L	95.6	Very high	96.8	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-52.6	178.9	-78.7	175.6	0	0	0	111.9	M416 D419 L420 I423 V468 V474 T475 C476 I482	M416-L472 WeakPolarHBondContact O-CD1 3.34Å; D419-L472 HydrophobicContact CB-CD2 4.12Å; L420-L472 HydrophobicContact CB-CD1 3.84Å; L420-L472 HydrophobicContact CB-CG 4.39Å; L420-L472 HydrophobicContact CD1-CD1 4.39Å; L420-L472 HydrophobicContact CD1-CG 4.26Å; I423-L472 HydrophobicContact CD1-CD2 3.46Å; I423-L472 VanDerWaalsContact CD1-CD2 3.46Å; I423-L472 HydrophobicContact CD1-CG 4.25Å; V468-L472 HydrophobicContact CG1-CB 4.17Å; V468-L472 HydrophobicContact CG1-CD1 4.36Å; V468-L472 HydrophobicContact CG2-CD1 4.3Å; V468-L472 WeakPolarHBondContact O-CA 3.45Å; V468-L472 WeakPolarHBondContact O-CB 3.43Å; V468-L472 PolarHBondContact O-N 3.22Å; L472-V474 VanDerWaalsContact C-N 3.26Å; L472-V474 PolarHBondContact O-N 3.17Å; L472-T475 WeakPolarHBondContact O-CB 3.45Å; L472-T475 PolarHBondContact O-N 3.25Å; L472-T475 PolarHBondContact O-OG1 3.31Å; L472-C476 PolarHBondContact O-SG 3.02Å; L472-I482 HydrophobicContact CB-CD1 4.18Å
473	E	96.9	Very high	97.1	Very high	39 Å²	39	27.8 Å²	27.8	18%	0.182	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-59.2	-39.4	-175	-60.7	-175.5	-165.2	0	0	111.8	V468 T475 C476 F509 K512	V468-E473 HydrophobicContact CG1-CG 4.06Å; V468-E473 PolarHBondContact O-N 2.92Å; E473-T475 PolarHBondContact O-N 3.48Å; E473-C476 WeakPolarHBondContact O-CB 3.38Å; E473-C476 PolarHBondContact O-N 3.08Å; E473-F509 HydrophobicContact CB-CD1 4.11Å; E473-F509 HydrophobicContact CB-CE1 4.02Å; E473-F509 HydrophobicContact CG-CD1 3.87Å; E473-F509 HydrophobicContact CG-CE1 3.34Å; E473-F509 HydrophobicContact CG-CZ 3.71Å; E473-F509 WeakPolarHBondContact OE2-CE1 3.37Å; E473-K512 WeakPolarHBondContact O-CA 3.48Å
474	V	96.6	Very high	97.2	Very high	67 Å²	67	28.7 Å²	28.7	41%	0.406	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-58.7	-20.5	178.2	-64.8	0	0	0	0	114.1	D470 L472 K512	D470-V474 VanDerWaalsContact O-CG2 3.29Å; D470-V474 WeakPolarHBondContact O-CG2 3.46Å; L472-V474 VanDerWaalsContact C-N 3.26Å; L472-V474 PolarHBondContact O-N 3.17Å; V474-K512 HydrophobicContact CB-CD 4.47Å; V474-K512 VanDerWaalsContact O-CE 3.3Å; V474-K512 WeakPolarHBondContact O-CE 3.4Å
475	T	96.3	Very high	97.3	Very high	70 Å²	70	28.6 Å²	28.6	43%	0.429	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-88.3	-13	178.2	76.2	0	0	0	0	113.2	L472 E473 I477	L472-T475 WeakPolarHBondContact O-CB 3.45Å; L472-T475 PolarHBondContact O-N 3.25Å; L472-T475 PolarHBondContact O-OG1 3.31Å; E473-T475 PolarHBondContact O-N 3.48Å; T475-I477 PolarHBondContact O-N 2.74Å; T475-I477 VanDerWaalsContact O-N 3.12Å
476	C	97.8	Very high	97.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	14%	0.141	C	C	.	.			trans	-87.4	75.4	-174.1	-60.2	0	0	0	0	111.3	L472 E473 F509 M511 K512	L472-C476 PolarHBondContact O-SG 3.02Å; E473-C476 WeakPolarHBondContact O-CB 3.38Å; E473-C476 PolarHBondContact O-N 3.08Å; C476-F509 HydrophobicContact CB-CB 3.5Å; C476-F509 HydrophobicContact CB-CG 4.44Å; C476-M511 WeakPolarHBondContact O-CA 3.42Å; C476-M511 PolarHBondContact O-N 3.02Å; C476-M511 VanDerWaalsContact O-N 3.09Å; C476-K512 PolarHBondContact O-N 3.48Å
477	I	97.9	Very high	97.4	Very high	41 Å²	41	23.4 Å²	23.4	21%	0.21	13%	0.133	C	C	.	.			trans	-78.2	-61.1	177	-56.7	-58.2	0	0	0	111.2	Y403 T475 M511 K512	Y403-I477 HydrophobicContact CD1-CD1 4.4Å; Y403-I477 HydrophobicContact CD1-CG2 4.15Å; Y403-I477 HydrophobicContact CE1-CD1 4.4Å; T475-I477 PolarHBondContact O-N 2.74Å; T475-I477 VanDerWaalsContact O-N 3.12Å; I477-M511 HydrophobicContact CD1-CE 4.01Å; I477-M511 HydrophobicContact CD1-SD 4.04Å; I477-M511 HydrophobicContact CG2-SD 4.01Å; I477-M511 PolarHBondContact O-N 2.89Å; I477-K512 HydrophobicContact CD1-CG 4.14Å
478	S	98.4	Very high	97.3	Very high	40 Å²	40	26.2 Å²	26.2	28%	0.28	15%	0.147	S	C	.	.	S	Bend	trans	-81.3	160.8	170.2	-67.6	0	0	0	0	110.4	D406 T480	D406-S478 PolarHBondContact N-OG 3.16Å; D406-S478 VanDerWaalsContact N-OG 3.1Å; S478-T480 PolarHBondContact O-N 2.73Å; S478-T480 VanDerWaalsContact O-N 3.08Å; S478-T480 PolarHBondContact O-OG1 3.09Å
479	P	98.7	Very high	97.2	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.026	15%	0.154	C	C	.	.			trans	-47.7	118.5	-179.1	-25.6	33.9	0	0	0	111.8	D406 F407 F411 K412 L508 F509 V510	D406-P479 VanDerWaalsContact O-CD 3.24Å; D406-P479 WeakPolarHBondContact O-CD 3.44Å; F407-P479 HydrophobicContact CB-CG 4.46Å; F407-P479 HydrophobicContact CD1-CG 3.34Å; F407-P479 HydrophobicContact CE1-CG 3.62Å; F407-P479 HydrophobicContact CG-CG 3.88Å; F407-P479 HydrophobicContact CZ-CG 4.35Å; F411-P479 HydrophobicContact CB-CB 4.35Å; F411-P479 WeakPolarHBondContact CB-O 3.19Å; F411-P479 HydrophobicContact CD1-CB 3.84Å; F411-P479 HydrophobicContact CD1-CG 4.37Å; F411-P479 HydrophobicContact CD2-CB 3.6Å; F411-P479 HydrophobicContact CE1-CB 3.99Å; F411-P479 HydrophobicContact CE1-CG 4.13Å; F411-P479 HydrophobicContact CE2-CB 3.75Å; F411-P479 HydrophobicContact CE2-CG 4.38Å; F411-P479 HydrophobicContact CG-CB 3.66Å; F411-P479 HydrophobicContact CZ-CB 3.95Å; F411-P479 HydrophobicContact CZ-CG 4.14Å; K412-P479 PolarHBondContact N-O 3.48Å; P479-L508 HydrophobicContact CB-CD1 4.03Å; P479-F509 WeakPolarHBondContact CA-O 3.41Å; P479-V510 HydrophobicContact CB-CG2 4.07Å; P479-V510 HydrophobicContact CG-CG2 3.89Å
480	T	98.9	Very high	97.2	Very high	7 Å²	7	27 Å²	27	4%	0.043	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.3	-177.6	-58.2	0	0	0	0	109.1	K412 V414 S478 F509	K412-T480 HydrophobicContact CB-CG2 4.01Å; K412-T480 HydrophobicContact CD-CG2 4.06Å; K412-T480 HydrophobicContact CG-CG2 4.04Å; K412-T480 CarbonylContact O-C 3.58Å; K412-T480 WeakPolarHBondContact O-CA 3.49Å; V414-T480 HydrophobicContact CG1-CG2 4.41Å; V414-T480 HydrophobicContact CG2-CG2 4.17Å; S478-T480 PolarHBondContact O-N 2.73Å; S478-T480 VanDerWaalsContact O-N 3.08Å; S478-T480 PolarHBondContact O-OG1 3.09Å; T480-F509 PolarHBondContact N-O 3.04Å; T480-F509 PolarHBondContact O-N 3.36Å
481	F	98.9	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.4	169.6	-63.2	-70.6	0	0	0	109.4	M371 T374 E375 F411 K412 R413 V414 F506 E507 L508	M371-F481 HydrophobicContact CB-CE1 4.44Å; M371-F481 HydrophobicContact CB-CE2 4.16Å; M371-F481 HydrophobicContact CB-CZ 4.02Å; M371-F481 HydrophobicContact CG-CD1 4.32Å; M371-F481 HydrophobicContact CG-CE1 4.19Å; M371-F481 HydrophobicContact CG-CE2 4.37Å; M371-F481 HydrophobicContact CG-CG 4.47Å; M371-F481 HydrophobicContact CG-CZ 4.22Å; T374-F481 HydrophobicContact CG2-CE1 3.98Å; T374-F481 HydrophobicContact CG2-CZ 4.07Å; E375-F481 HydrophobicContact CG-CE2 3.83Å; E375-F481 HydrophobicContact CG-CZ 4.06Å; F411-F481 HydrophobicContact CB-CD2 3.88Å; F411-F481 HydrophobicContact CB-CE2 3.67Å; F411-F481 AromaticContact CD2-CE2 3.82Å; F411-F481 HydrophobicContact CD2-CE2 3.82Å; F411-F481 AromaticContact CD2-CZ 3.93Å; F411-F481 HydrophobicContact CD2-CZ 3.93Å; F411-F481 HydrophobicContact CG-CE2 4.21Å; K412-F481 PolarHBondContact O-N 3.48Å; R413-F481 WeakPolarHBondContact CA-O 3.37Å; R413-F481 HydrophobicContact CG-CB 4.07Å; R413-F481 HydrophobicContact CG-CD2 3.82Å; R413-F481 HydrophobicContact CG-CG 4.39Å; V414-F481 WeakPolarHBondContact CG2-O 3.4Å; V414-F481 PolarHBondContact N-O 3.1Å; F481-F506 HydrophobicContact CD1-CB 4.43Å; F481-F506 AromaticContact CD1-CD2 3.43Å; F481-F506 HydrophobicContact CD1-CD2 3.43Å; F481-F506 VanDerWaalsContact CD1-CD2 3.43Å; F481-F506 AromaticContact CD1-CE2 3.78Å; F481-F506 HydrophobicContact CD1-CE2 3.78Å; F481-F506 HydrophobicContact CD1-CG 4Å; F481-F506 AromaticContact CE1-CD2 3.72Å; F481-F506 HydrophobicContact CE1-CD2 3.72Å; F481-F506 AromaticContact CE1-CE2 3.52Å; F481-F506 HydrophobicContact CE1-CE2 3.52Å; F481-F506 HydrophobicContact CE1-CG 4.46Å; F481-F506 HydrophobicContact CE1-CZ 4.11Å; F481-E507 CarbonylContact C-O 3.59Å; F481-E507 WeakPolarHBondContact CA-O 3.3Å; F481-L508 HydrophobicContact CD1-CB 4.14Å; F481-L508 HydrophobicContact CD1-CD1 3.76Å; F481-L508 HydrophobicContact CD1-CG 4.49Å; F481-L508 HydrophobicContact CE1-CB 4.18Å; F481-L508 HydrophobicContact CE1-CD1 3.82Å; F481-L508 HydrophobicContact CE1-CD2 4.43Å; F481-L508 HydrophobicContact CE1-CG 4.37Å; F481-L508 HydrophobicContact CG-CD1 4.14Å; F481-L508 HydrophobicContact CZ-CD1 4.26Å
482	I	98.8	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.2	161.2	-57.7	-173.5	0	0	0	106	V414 M416 V468 L472 H485 F506 E507 F509	V414-I482 HydrophobicContact CG2-CB 4.32Å; V414-I482 HydrophobicContact CG2-CG1 3.82Å; V414-I482 CarbonylContact O-C 3.43Å; V414-I482 WeakPolarHBondContact O-CA 3.1Å; M416-I482 HydrophobicContact CB-CG2 3.79Å; M416-I482 HydrophobicContact CE-CG2 4Å; M416-I482 HydrophobicContact CG-CG2 4.49Å; V468-I482 HydrophobicContact CG1-CD1 4.35Å; L472-I482 HydrophobicContact CB-CD1 4.18Å; I482-H485 PolarHBondContact O-CE1 3.02Å; I482-H485 VanDerWaalsContact O-CE1 3.27Å; I482-F506 CarbonylContact O-C 3.59Å; I482-F506 WeakPolarHBondContact O-CA 3.31Å; I482-E507 PolarHBondContact N-O 3.44Å; I482-E507 PolarHBondContact O-N 2.92Å; I482-F509 HydrophobicContact CB-CD2 4.36Å; I482-F509 HydrophobicContact CB-CE2 4.33Å; I482-F509 HydrophobicContact CD1-CD2 3.61Å; I482-F509 HydrophobicContact CD1-CE2 3.64Å; I482-F509 HydrophobicContact CD1-CG 4.29Å; I482-F509 HydrophobicContact CD1-CZ 4.35Å; I482-F509 HydrophobicContact CG1-CD2 3.8Å; I482-F509 HydrophobicContact CG1-CE2 4.09Å
483	C	98.7	Very high	97.5	Very high	8 Å²	8	20.8 Å²	20.8	5%	0.054	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	166.5	-169.9	-57.1	0	0	0	0	112.1	M371 V414 M416 R505	M371-C483 HydrophobicContact CE-CB 4.47Å; M371-C483 VanDerWaalsContact CE-SG 3.52Å; V414-C483 PolarHBondContact O-N 3.43Å; M416-C483 PolarHBondContact N-O 3.23Å; C483-R505 CarbonylContact C-O 3.55Å; C483-R505 WeakPolarHBondContact CA-O 3.35Å
484	D	98.1	Very high	97.5	Very high	20 Å²	20	20.9 Å²	20.9	11%	0.107	12%	0.117	C	C	.	.			trans	62	47.3	166.2	-41.9	-38.3	0	0	0	112.8	Y367 H496 L502 T503 R505	Y367-D484 PolarHBondContact OH-OD1 3.09Å; D484-H496 IonicContact OD1-CD2 3.77Å; D484-H496 IonicContact OD1-NE2 3.38Å; D484-L502 HydrophobicContact CB-CD1 4.03Å; D484-T503 WeakPolarHBondContact CA-O 3.48Å; D484-R505 PolarHBondContact N-O 3.03Å
485	H	98.4	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.			trans	-59.1	143.7	177.1	-64.5	58.2	0	0	0	111.5	M416 I482 L502 T503 R505 E507	M416-H485 WeakPolarHBondContact CE-CD2 3.27Å; M416-H485 WeakPolarHBondContact CE-NE2 3.21Å; M416-H485 HydrophobicContact SD-CB 4.28Å; I482-H485 PolarHBondContact O-CE1 3.02Å; I482-H485 VanDerWaalsContact O-CE1 3.27Å; H485-L502 CarbonylContact O-C 3.57Å; H485-T503 PolarHBondContact O-N 3.24Å; H485-T503 PolarHBondContact O-OG1 3.18Å; H485-R505 HydrophobicContact CB-CB 4.19Å; H485-R505 HydrophobicContact CB-CG 4.26Å; H485-E507 IonicContact CD2-OE2 3.81Å; H485-E507 IonicContact CE1-OE2 3.35Å; H485-E507 VanDerWaalsContact NE2-CD 3.25Å; H485-E507 IonicContact NE2-OE1 3.76Å; H485-E507 IonicContact NE2-OE2 2.75Å; H485-E507 PolarHBondContact NE2-OE2 2.85Å
486	P	97.8	Very high	97.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-57.7	146.5	171.9	-27.5	37.4	0	0	0	113.7	Y434 L464 I488 M489 S490 G501 L502	Y434-P486 HydrophobicContact CD2-CB 3.68Å; Y434-P486 HydrophobicContact CD2-CG 3.73Å; Y434-P486 HydrophobicContact CE2-CB 4.08Å; Y434-P486 HydrophobicContact CE2-CG 3.58Å; L464-P486 HydrophobicContact CD1-CG 4.13Å; P486-I488 HydrophobicContact CB-CG2 4.05Å; P486-I488 PolarHBondContact O-N 2.74Å; P486-M489 HydrophobicContact CG-SD 4.39Å; P486-M489 PolarHBondContact O-N 2.7Å; P486-S490 PolarHBondContact O-OG 3.29Å; P486-G501 WeakPolarHBondContact CA-O 3.08Å; P486-L502 HydrophobicContact CB-CD2 4.3Å; P486-L502 HydrophobicContact CG-CD2 4Å
487	Q	96.4	Very high	97.8	Very high	33 Å²	33	27.4 Å²	27.4	15%	0.154	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-58.5	-34.4	179.8	-173	73.6	70.9	0	0	112.6	M489 S490 A493 G501 T503 L531	Q487-M489 PolarHBondContact O-N 3.31Å; Q487-M489 VanDerWaalsContact O-N 3.13Å; Q487-S490 PolarHBondContact NE2-O 3.14Å; Q487-S490 CarbonylContact O-C 3.6Å; Q487-S490 PolarHBondContact O-N 3.33Å; Q487-A493 PolarHBondContact NE2-O 3.23Å; Q487-G501 PolarHBondContact N-O 2.83Å; Q487-T503 HydrophobicContact CB-CG2 3.95Å; Q487-T503 VanDerWaalsContact CD-CG2 3.41Å; Q487-T503 HydrophobicContact CG-CG2 4.27Å; Q487-T503 VanDerWaalsContact OE1-CG2 3.28Å; Q487-L531 HydrophobicContact CG-CD2 4.28Å
488	I	93.9	Very high	97.8	Very high	58 Å²	58	30 Å²	30	30%	0.297	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-62.1	-20	178.4	-164.3	159.7	0	0	0	113.5	Y434 P486	Y434-I488 WeakPolarHBondContact O-CD1 3.3Å; P486-I488 HydrophobicContact CB-CG2 4.05Å; P486-I488 PolarHBondContact O-N 2.74Å
489	M	95.3	Very high	97.7	Very high	31 Å²	31	30.8 Å²	30.8	15%	0.153	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-97.3	-6.1	176.3	-60.2	177.8	71.3	0	0	112.9	M416 A461 L464 D465 P486 Q487 R505	M416-M489 HydrophobicContact CE-CE 4.45Å; M416-M489 HydrophobicContact SD-CE 4.22Å; M416-M489 HydrophobicContact SD-SD 3.87Å; A461-M489 HydrophobicContact CB-CG 3.84Å; L464-M489 HydrophobicContact CB-CE 4.34Å; L464-M489 HydrophobicContact CB-SD 3.8Å; L464-M489 HydrophobicContact CD1-SD 4.06Å; D465-M489 HydrophobicContact CB-CE 4.2Å; P486-M489 HydrophobicContact CG-SD 4.39Å; P486-M489 PolarHBondContact O-N 2.7Å; Q487-M489 PolarHBondContact O-N 3.31Å; Q487-M489 VanDerWaalsContact O-N 3.13Å; M489-R505 PolarHBondContact O-NH1 2.89Å
490	S	96.6	Very high	97.6	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.028	18%	0.179	C	C	.	.			trans	-139.2	65	-163.3	-44.7	0	0	0	0	111.2	P486 Q487 L492 A493 R505	P486-S490 PolarHBondContact O-OG 3.29Å; Q487-S490 PolarHBondContact NE2-O 3.14Å; Q487-S490 CarbonylContact O-C 3.6Å; Q487-S490 PolarHBondContact O-N 3.33Å; S490-L492 PolarHBondContact O-N 3.24Å; S490-A493 PolarHBondContact O-N 3.42Å; S490-A493 VanDerWaalsContact O-N 3.13Å; S490-R505 VanDerWaalsContact OG-CD 3.3Å; S490-R505 WeakPolarHBondContact OG-CD 3.35Å; S490-R505 PolarHBondContact OG-NH1 3.12Å
491	P	95.9	Very high	97.5	Very high	9 Å²	9	38.7 Å²	38.7	6%	0.058	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.7	-170.6	28.3	-36.9	0	0	0	115.1	Q528 L531 Q535 M547	P491-Q528 PolarHBondContact O-NE2 3.01Å; P491-L531 WeakPolarHBondContact O-CD1 3.4Å; P491-Q535 HydrophobicContact CB-CG 4.02Å; P491-Q535 HydrophobicContact CG-CG 4.4Å; P491-M547 HydrophobicContact CB-SD 4.44Å; P491-M547 HydrophobicContact CG-CE 3.8Å; P491-M547 HydrophobicContact CG-SD 3.77Å
492	L	98.1	Very high	97.4	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-6.6	178.8	-58.9	176.4	0	0	0	112.8	E321 L322 S490 Y519 L522 F532 M547	E321-L492 VanDerWaalsContact CD-CD1 3.44Å; E321-L492 HydrophobicContact CG-CD1 4.4Å; E321-L492 WeakPolarHBondContact OE1-CB 3.32Å; E321-L492 VanDerWaalsContact OE1-CD1 3.23Å; E321-L492 WeakPolarHBondContact OE1-CD1 3.3Å; E321-L492 WeakPolarHBondContact OE2-CD1 3.22Å; L322-L492 HydrophobicContact CD2-CD1 4.25Å; L322-L492 HydrophobicContact CD2-CD2 4.33Å; S490-L492 PolarHBondContact O-N 3.24Å; L492-Y519 HydrophobicContact CB-CE2 4.17Å; L492-L522 VanDerWaalsContact O-CB 3.25Å; L492-L522 WeakPolarHBondContact O-CB 3.37Å; L492-L522 PolarHBondContact O-N 3.01Å; L492-F532 HydrophobicContact CD2-CE1 4.17Å; L492-F532 HydrophobicContact CD2-CZ 4.1Å; L492-M547 HydrophobicContact CD1-CE 3.69Å; L492-M547 HydrophobicContact CD1-SD 4.11Å; L492-M547 HydrophobicContact CD2-SD 4.45Å; L492-M547 HydrophobicContact CG-CE 4.1Å; L492-M547 HydrophobicContact CG-SD 4.17Å
493	A	98.6	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-88.4	141.4	179.7	0	0	0	0	0	110.6	Q487 S490 T503 R505 Y519	Q487-A493 PolarHBondContact NE2-O 3.23Å; S490-A493 PolarHBondContact O-N 3.42Å; S490-A493 VanDerWaalsContact O-N 3.13Å; A493-T503 HydrophobicContact CB-CG2 4.08Å; A493-R505 HydrophobicContact CB-CB 4.43Å; A493-Y519 HydrophobicContact CB-CD1 4.19Å; A493-Y519 HydrophobicContact CB-CD2 3.87Å; A493-Y519 HydrophobicContact CB-CG 3.65Å
494	K	98.8	Very high	97.4	Very high	42 Å²	42	38.7 Å²	38.7	18%	0.183	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-70.1	143.1	178.2	-160.1	167	-176	167	0	110.8	T503 E504 T520 L522 N523	K494-T503 CarbonylContact O-C 3.57Å; K494-T503 VanDerWaalsContact O-CA 3.24Å; K494-T503 WeakPolarHBondContact O-CA 3.39Å; K494-T503 VanDerWaalsContact O-CB 3.28Å; K494-T503 WeakPolarHBondContact O-CB 3.39Å; K494-E504 PolarHBondContact O-N 2.95Å; K494-T520 HydrophobicContact CB-CG2 4.18Å; K494-T520 VanDerWaalsContact CB-O 3.3Å; K494-T520 WeakPolarHBondContact CB-O 3.45Å; K494-T520 HydrophobicContact CD-CG2 4Å; K494-T520 PolarHBondContact N-O 2.91Å; K494-L522 HydrophobicContact CG-CD1 4.47Å; K494-N523 WeakPolarHBondContact CE-OD1 3.34Å; K494-N523 PolarHBondContact NZ-OD1 3.41Å
495	W	98.6	Very high	97.5	Very high	110 Å²	110	39 Å²	39	42%	0.417	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-56.5	147.8	175.9	64.3	86.5	0	0	0	111.1	L522 D524 I527	W495-L522 HydrophobicContact CE3-CD1 3.94Å; W495-L522 HydrophobicContact CZ3-CD1 3.62Å; W495-D524 HydrophobicContact CH2-CB 4.14Å; W495-D524 HydrophobicContact CZ3-CB 4.05Å; W495-I527 HydrophobicContact CZ3-CG1 4.34Å
496	H	98.7	Very high	97.5	Very high	18 Å²	18	39 Å²	39	8%	0.083	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-67.9	134.2	179.7	-167.4	-94.3	0	0	0	110.9	Y367 D484 S498 E499 L502	Y367-H496 PolarHBondContact OH-NE2 2.99Å; D484-H496 IonicContact OD1-CD2 3.77Å; D484-H496 IonicContact OD1-NE2 3.38Å; H496-S498 PolarHBondContact CE1-OG 3.13Å; H496-S498 PolarHBondContact ND1-N 3.17Å; H496-S498 PolarHBondContact ND1-OG 2.73Å; H496-S498 PolarHBondContact O-N 2.79Å; H496-S498 VanDerWaalsContact O-N 3.16Å; H496-E499 HydrophobicContact CB-CB 4.3Å; H496-E499 WeakPolarHBondContact CB-O 3.46Å; H496-E499 WeakPolarHBondContact ND1-CB 3.47Å; H496-E499 PolarHBondContact ND1-N 3.16Å; H496-L502 HydrophobicContact CB-CB 3.96Å; H496-L502 WeakPolarHBondContact CB-O 3.49Å; H496-L502 PolarHBondContact N-O 2.69Å
497	R	98.3	Very high	97.6	Very high	147 Å²	147	40 Å²	40	56%	0.555	19%	0.192	S	C	*	.	S	Bend	trans	-62.3	-23.1	-175.9	67.6	-173.1	67.1	171.9	3.3	115	D366 E504	D366-R497 IonicContact OD2-CZ 2.69Å; D366-R497 IonicContact OD2-NH1 3.97Å; D366-R497 PolarHBondContact OD2-NH1 2.88Å; D366-R497 IonicContact OD2-NH2 2.73Å; D366-R497 PolarHBondContact OD2-NH2 3.45Å; R497-E504 WeakPolarHBondContact CB-OE1 3.41Å; R497-E504 WeakPolarHBondContact CG-OE1 3.32Å; R497-E504 IonicContact CZ-OE1 3.74Å; R497-E504 VanDerWaalsContact CZ-OE1 3.3Å; R497-E504 IonicContact CZ-OE2 2.79Å; R497-E504 PolarHBondContact N-OE1 3.23Å; R497-E504 IonicContact NE-OE1 2.69Å; R497-E504 PolarHBondContact NE-OE1 2.82Å; R497-E504 IonicContact NE-OE2 3.77Å; R497-E504 VanDerWaalsContact NH2-CD 3.31Å; R497-E504 IonicContact NH2-OE1 3.5Å; R497-E504 PolarHBondContact NH2-OE1 3.04Å; R497-E504 VanDerWaalsContact NH2-OE1 3.09Å; R497-E504 IonicContact NH2-OE2 2.95Å; R497-E504 PolarHBondContact NH2-OE2 2.89Å
498	S	97.3	Very high	97.7	Very high	95 Å²	95	38.4 Å²	38.4	66%	0.664	18%	0.184	S	C	*	.	S	Bend	trans	-131.1	-6.4	-176.3	62.2	0	0	0	0	115.6	H496	H496-S498 PolarHBondContact CE1-OG 3.13Å; H496-S498 PolarHBondContact ND1-N 3.17Å; H496-S498 PolarHBondContact ND1-OG 2.73Å; H496-S498 PolarHBondContact O-N 2.79Å; H496-S498 VanDerWaalsContact O-N 3.16Å
499	E	97	Very high	97.9	Very high	57 Å²	57	35.8 Å²	35.8	27%	0.266	17%	0.171	S	C	.	.	S	Bend	trans	-128.3	98.7	-174.4	-64.2	-163.2	-149.2	0	0	110.1	H418 H496 G501 L502	H418-E499 IonicContact CD2-OE2 3.04Å; H418-E499 IonicContact CE1-OE2 3.2Å; H418-E499 IonicContact NE2-OE1 2.68Å; H418-E499 IonicContact NE2-OE2 2.81Å; H418-E499 PolarHBondContact NE2-OE2 2.64Å; H496-E499 HydrophobicContact CB-CB 4.3Å; H496-E499 WeakPolarHBondContact CB-O 3.46Å; H496-E499 WeakPolarHBondContact ND1-CB 3.47Å; H496-E499 PolarHBondContact ND1-N 3.16Å; E499-G501 PolarHBondContact O-N 2.86Å; E499-L502 HydrophobicContact CB-CB 4.29Å; E499-L502 HydrophobicContact CB-CD1 3.9Å; E499-L502 HydrophobicContact CB-CG 4.23Å; E499-L502 PolarHBondContact O-N 3.38Å; E499-L502 VanDerWaalsContact O-N 3.17Å; E499-L502 VanDerWaalsContact OE2-CD1 3.31Å; E499-L502 WeakPolarHBondContact OE2-CD1 3.32Å
500	K	96.9	Very high	98.1	Very high	153 Å²	153	34.3 Å²	34.3	67%	0.665	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	134.7	-174.2	-165.7	-175.5	167.8	-152.1	0	110.9	T431 D432 L502	T431-K500 WeakPolarHBondContact CB-O 3.49Å; T431-K500 PolarHBondContact OG1-O 3.31Å; D432-K500 HydrophobicContact CB-CB 4.13Å; D432-K500 HydrophobicContact CB-CD 3.72Å; D432-K500 HydrophobicContact CB-CG 3.69Å; D432-K500 WeakPolarHBondContact OD2-CD 3.24Å; D432-K500 WeakPolarHBondContact OD2-CE 3.28Å; D432-K500 IonicContact OD2-NZ 3.1Å; D432-K500 PolarHBondContact OD2-NZ 3.11Å; K500-L502 VanDerWaalsContact C-N 3.3Å
501	G	95.9	Very high	98.1	Very high	24 Å²	24	34.5 Å²	34.5	25%	0.247	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-9.7	-178.3	0	0	0	0	0	115	T431 P486 Q487 E499	T431-G501 WeakPolarHBondContact O-CA 3.04Å; P486-G501 WeakPolarHBondContact CA-O 3.08Å; Q487-G501 PolarHBondContact N-O 2.83Å; E499-G501 PolarHBondContact O-N 2.86Å
502	L	98.3	Very high	98.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-98.6	173.2	171.4	-56.2	-172.1	0	0	0	111.6	T431 D484 H485 P486 H496 E499 K500	T431-L502 HydrophobicContact CG2-CD1 4.31Å; T431-L502 HydrophobicContact CG2-CD2 3.59Å; T431-L502 HydrophobicContact CG2-CG 3.98Å; D484-L502 HydrophobicContact CB-CD1 4.03Å; H485-L502 CarbonylContact O-C 3.57Å; P486-L502 HydrophobicContact CB-CD2 4.3Å; P486-L502 HydrophobicContact CG-CD2 4Å; H496-L502 HydrophobicContact CB-CB 3.96Å; H496-L502 WeakPolarHBondContact CB-O 3.49Å; H496-L502 PolarHBondContact N-O 2.69Å; E499-L502 HydrophobicContact CB-CB 4.29Å; E499-L502 HydrophobicContact CB-CD1 3.9Å; E499-L502 HydrophobicContact CB-CG 4.23Å; E499-L502 PolarHBondContact O-N 3.38Å; E499-L502 VanDerWaalsContact O-N 3.17Å; E499-L502 VanDerWaalsContact OE2-CD1 3.31Å; E499-L502 WeakPolarHBondContact OE2-CD1 3.32Å; K500-L502 VanDerWaalsContact C-N 3.3Å
503	T	98.8	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-127.7	158	178.4	56.9	0	0	0	0	111.8	D484 H485 Q487 A493 K494 R505	D484-T503 WeakPolarHBondContact CA-O 3.48Å; H485-T503 PolarHBondContact O-N 3.24Å; H485-T503 PolarHBondContact O-OG1 3.18Å; Q487-T503 HydrophobicContact CB-CG2 3.95Å; Q487-T503 VanDerWaalsContact CD-CG2 3.41Å; Q487-T503 HydrophobicContact CG-CG2 4.27Å; Q487-T503 VanDerWaalsContact OE1-CG2 3.28Å; A493-T503 HydrophobicContact CB-CG2 4.08Å; K494-T503 CarbonylContact O-C 3.57Å; K494-T503 VanDerWaalsContact O-CA 3.24Å; K494-T503 WeakPolarHBondContact O-CA 3.39Å; K494-T503 VanDerWaalsContact O-CB 3.28Å; K494-T503 WeakPolarHBondContact O-CB 3.39Å; T503-R505 PolarHBondContact O-N 2.83Å; T503-R505 WeakPolarHBondContact OG1-CB 3.47Å
504	E	98.9	Very high	98.1	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.037	21%	0.206	C	C	.	.	S	Bend	trans	-80.7	68.3	170.7	-61.1	-168.6	174.9	0	0	110.1	Y367 K494 R497 Y519 T520	Y367-E504 WeakPolarHBondContact CB-O 3.23Å; Y367-E504 HydrophobicContact CD1-CB 3.7Å; Y367-E504 HydrophobicContact CD1-CG 4.29Å; Y367-E504 HydrophobicContact CD2-CB 4.18Å; Y367-E504 HydrophobicContact CE1-CB 3.84Å; Y367-E504 HydrophobicContact CE1-CG 4.03Å; Y367-E504 HydrophobicContact CE2-CB 4.31Å; Y367-E504 HydrophobicContact CG-CB 3.89Å; K494-E504 PolarHBondContact O-N 2.95Å; R497-E504 WeakPolarHBondContact CB-OE1 3.41Å; R497-E504 WeakPolarHBondContact CG-OE1 3.32Å; R497-E504 IonicContact CZ-OE1 3.74Å; R497-E504 VanDerWaalsContact CZ-OE1 3.3Å; R497-E504 IonicContact CZ-OE2 2.79Å; R497-E504 PolarHBondContact N-OE1 3.23Å; R497-E504 IonicContact NE-OE1 2.69Å; R497-E504 PolarHBondContact NE-OE1 2.82Å; R497-E504 IonicContact NE-OE2 3.77Å; R497-E504 VanDerWaalsContact NH2-CD 3.31Å; R497-E504 IonicContact NH2-OE1 3.5Å; R497-E504 PolarHBondContact NH2-OE1 3.04Å; R497-E504 VanDerWaalsContact NH2-OE1 3.09Å; R497-E504 IonicContact NH2-OE2 2.95Å; R497-E504 PolarHBondContact NH2-OE2 2.89Å; E504-Y519 CarbonylContact O-C 3.58Å; E504-Y519 WeakPolarHBondContact O-CA 3.4Å; E504-Y519 WeakPolarHBondContact O-CB 3.44Å; E504-T520 WeakPolarHBondContact CB-OG1 3.42Å; E504-T520 PolarHBondContact O-N 2.89Å; E504-T520 WeakPolarHBondContact OE2-CB 3.41Å; E504-T520 PolarHBondContact OE2-OG1 2.97Å
505	R	98.8	Very high	98.1	Very high	25 Å²	25	42.3 Å²	42.3	9%	0.094	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.9	-178.4	177.4	172.4	169.3	-164.7	-0.6	110.8	C483 D484 H485 M489 S490 A493 T503 E507 N517 A518 Y519	C483-R505 CarbonylContact C-O 3.55Å; C483-R505 WeakPolarHBondContact CA-O 3.35Å; D484-R505 PolarHBondContact N-O 3.03Å; H485-R505 HydrophobicContact CB-CB 4.19Å; H485-R505 HydrophobicContact CB-CG 4.26Å; M489-R505 PolarHBondContact O-NH1 2.89Å; S490-R505 VanDerWaalsContact OG-CD 3.3Å; S490-R505 WeakPolarHBondContact OG-CD 3.35Å; S490-R505 PolarHBondContact OG-NH1 3.12Å; A493-R505 HydrophobicContact CB-CB 4.43Å; T503-R505 PolarHBondContact O-N 2.83Å; T503-R505 WeakPolarHBondContact OG1-CB 3.47Å; R505-E507 IonicContact CZ-OE1 3.33Å; R505-E507 IonicContact NH2-OE1 3.11Å; R505-E507 PolarHBondContact NH2-OE1 3.44Å; R505-N517 PolarHBondContact NE-OD1 3.45Å; R505-A518 CarbonylContact C-O 3.57Å; R505-A518 WeakPolarHBondContact CA-O 3.48Å; R505-A518 WeakPolarHBondContact CG-O 3.41Å; R505-Y519 HydrophobicContact CG-CD1 4.1Å
506	F	98.9	Very high	98.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.5	161	71.7	-100.6	0	0	0	112.1	Y367 L370 M371 F481 I482 A518	Y367-F506 HydrophobicContact CD2-CD1 4.14Å; Y367-F506 WeakPolarHBondContact O-CE1 3.42Å; L370-F506 HydrophobicContact CB-CE1 3.75Å; L370-F506 HydrophobicContact CB-CZ 4.03Å; M371-F506 HydrophobicContact CB-CE1 4.48Å; M371-F506 HydrophobicContact CE-CB 3.97Å; M371-F506 HydrophobicContact CE-CD1 3.72Å; M371-F506 HydrophobicContact CE-CG 4.14Å; M371-F506 HydrophobicContact CG-CD1 3.6Å; M371-F506 HydrophobicContact CG-CE1 3.61Å; M371-F506 HydrophobicContact CG-CG 4.19Å; M371-F506 HydrophobicContact CG-CZ 4.2Å; F481-F506 HydrophobicContact CD1-CB 4.43Å; F481-F506 AromaticContact CD1-CD2 3.43Å; F481-F506 HydrophobicContact CD1-CD2 3.43Å; F481-F506 VanDerWaalsContact CD1-CD2 3.43Å; F481-F506 AromaticContact CD1-CE2 3.78Å; F481-F506 HydrophobicContact CD1-CE2 3.78Å; F481-F506 HydrophobicContact CD1-CG 4Å; F481-F506 AromaticContact CE1-CD2 3.72Å; F481-F506 HydrophobicContact CE1-CD2 3.72Å; F481-F506 AromaticContact CE1-CE2 3.52Å; F481-F506 HydrophobicContact CE1-CE2 3.52Å; F481-F506 HydrophobicContact CE1-CG 4.46Å; F481-F506 HydrophobicContact CE1-CZ 4.11Å; I482-F506 CarbonylContact O-C 3.59Å; I482-F506 WeakPolarHBondContact O-CA 3.31Å; F506-A518 HydrophobicContact CD1-CB 4.18Å; F506-A518 HydrophobicContact CD2-CB 4.27Å; F506-A518 HydrophobicContact CE1-CB 3.63Å; F506-A518 HydrophobicContact CE2-CB 3.73Å; F506-A518 HydrophobicContact CG-CB 4.49Å; F506-A518 HydrophobicContact CZ-CB 3.4Å; F506-A518 VanDerWaalsContact CZ-CB 3.4Å; F506-A518 PolarHBondContact N-O 3.25Å; F506-A518 PolarHBondContact O-N 2.92Å; F506-A518 VanDerWaalsContact O-O 3.11Å
507	E	98.8	Very high	98.1	Very high	23 Å²	23	38.1 Å²	38.1	11%	0.107	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.5	163.7	-72.3	173.5	151.4	0	0	108.6	F481 I482 H485 R505 F509 E514 C516 N517	F481-E507 CarbonylContact C-O 3.59Å; F481-E507 WeakPolarHBondContact CA-O 3.3Å; I482-E507 PolarHBondContact N-O 3.44Å; I482-E507 PolarHBondContact O-N 2.92Å; H485-E507 IonicContact CD2-OE2 3.81Å; H485-E507 IonicContact CE1-OE2 3.35Å; H485-E507 VanDerWaalsContact NE2-CD 3.25Å; H485-E507 IonicContact NE2-OE1 3.76Å; H485-E507 IonicContact NE2-OE2 2.75Å; H485-E507 PolarHBondContact NE2-OE2 2.85Å; R505-E507 IonicContact CZ-OE1 3.33Å; R505-E507 IonicContact NH2-OE1 3.11Å; R505-E507 PolarHBondContact NH2-OE1 3.44Å; E507-F509 HydrophobicContact CB-CD2 4.15Å; E507-F509 HydrophobicContact CB-CE2 3.57Å; E507-F509 HydrophobicContact CB-CZ 4.47Å; E507-E514 HydrophobicContact CB-CG 4.45Å; E507-C516 CarbonylContact C-O 3.58Å; E507-C516 WeakPolarHBondContact CA-O 3.29Å; E507-N517 HydrophobicContact CG-CB 4.18Å; E507-N517 WeakPolarHBondContact CG-OD1 3.41Å
508	L	98.8	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.6	175	-177.6	65.7	0	0	0	109.6	T374 L378 F411 P479 F481 E514 I515 C516	T374-L508 HydrophobicContact CG2-CD2 3.69Å; L378-L508 HydrophobicContact CD1-CD2 3.15Å; F411-L508 HydrophobicContact CD2-CD1 4.03Å; F411-L508 HydrophobicContact CD2-CD2 4.47Å; F411-L508 HydrophobicContact CE2-CD2 4.34Å; P479-L508 HydrophobicContact CB-CD1 4.03Å; F481-L508 HydrophobicContact CD1-CB 4.14Å; F481-L508 HydrophobicContact CD1-CD1 3.76Å; F481-L508 HydrophobicContact CD1-CG 4.49Å; F481-L508 HydrophobicContact CE1-CB 4.18Å; F481-L508 HydrophobicContact CE1-CD1 3.82Å; F481-L508 HydrophobicContact CE1-CD2 4.43Å; F481-L508 HydrophobicContact CE1-CG 4.37Å; F481-L508 HydrophobicContact CG-CD1 4.14Å; F481-L508 HydrophobicContact CZ-CD1 4.26Å; L508-E514 CarbonylContact O-C 3.58Å; L508-E514 WeakPolarHBondContact O-CA 3.36Å; L508-I515 HydrophobicContact CB-CG1 4.15Å; L508-I515 HydrophobicContact CD2-CD1 3.66Å; L508-I515 HydrophobicContact CD2-CG1 3.99Å; L508-I515 HydrophobicContact CG-CD1 4.06Å; L508-I515 HydrophobicContact CG-CG1 3.94Å; L508-I515 VanDerWaalsContact O-CG1 3.28Å; L508-I515 WeakPolarHBondContact O-CG1 3.45Å; L508-I515 PolarHBondContact O-N 2.95Å; L508-C516 HydrophobicContact CB-CB 3.88Å; L508-C516 PolarHBondContact N-O 3.37Å; L508-C516 PolarHBondContact O-N 3.46Å
509	F	98.7	Very high	98.2	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.013	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.2	176.8	-75.1	-98.4	0	0	0	111.5	E473 C476 P479 T480 I482 E507 K513 E514	E473-F509 HydrophobicContact CB-CD1 4.11Å; E473-F509 HydrophobicContact CB-CE1 4.02Å; E473-F509 HydrophobicContact CG-CD1 3.87Å; E473-F509 HydrophobicContact CG-CE1 3.34Å; E473-F509 HydrophobicContact CG-CZ 3.71Å; E473-F509 WeakPolarHBondContact OE2-CE1 3.37Å; C476-F509 HydrophobicContact CB-CB 3.5Å; C476-F509 HydrophobicContact CB-CG 4.44Å; P479-F509 WeakPolarHBondContact CA-O 3.41Å; T480-F509 PolarHBondContact N-O 3.04Å; T480-F509 PolarHBondContact O-N 3.36Å; I482-F509 HydrophobicContact CB-CD2 4.36Å; I482-F509 HydrophobicContact CB-CE2 4.33Å; I482-F509 HydrophobicContact CD1-CD2 3.61Å; I482-F509 HydrophobicContact CD1-CE2 3.64Å; I482-F509 HydrophobicContact CD1-CG 4.29Å; I482-F509 HydrophobicContact CD1-CZ 4.35Å; I482-F509 HydrophobicContact CG1-CD2 3.8Å; I482-F509 HydrophobicContact CG1-CE2 4.09Å; E507-F509 HydrophobicContact CB-CD2 4.15Å; E507-F509 HydrophobicContact CB-CE2 3.57Å; E507-F509 HydrophobicContact CB-CZ 4.47Å; F509-K513 CarbonylContact C-O 3.58Å; F509-K513 WeakPolarHBondContact CA-O 3.4Å; F509-E514 HydrophobicContact CD1-CB 4.13Å; F509-E514 HydrophobicContact CE1-CB 3.62Å; F509-E514 HydrophobicContact CE2-CB 4.34Å; F509-E514 HydrophobicContact CZ-CB 3.75Å; F509-E514 HydrophobicContact CZ-CG 4.36Å
510	V	98.5	Very high	98.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.2	170.8	175.8	0	0	0	0	108.1	I405 F407 P479 K512 K513 I515 F577	I405-V510 HydrophobicContact CD1-CG1 4.07Å; I405-V510 HydrophobicContact CG2-CG1 3.83Å; F407-V510 HydrophobicContact CE1-CG1 4.47Å; F407-V510 HydrophobicContact CE1-CG2 4.11Å; F407-V510 HydrophobicContact CZ-CG1 3.92Å; F407-V510 HydrophobicContact CZ-CG2 4.38Å; P479-V510 HydrophobicContact CB-CG2 4.07Å; P479-V510 HydrophobicContact CG-CG2 3.89Å; V510-K512 PolarHBondContact O-N 3.17Å; V510-K513 PolarHBondContact N-O 2.96Å; V510-K513 PolarHBondContact O-N 3.37Å; V510-K513 VanDerWaalsContact O-O 3.06Å; V510-I515 HydrophobicContact CB-CD1 4.28Å; V510-I515 HydrophobicContact CB-CG2 4.44Å; V510-I515 HydrophobicContact CG2-CD1 3.48Å; V510-I515 VanDerWaalsContact CG2-CD1 3.48Å; V510-I515 HydrophobicContact CG2-CG1 4.08Å; V510-F577 HydrophobicContact CB-CD2 4.21Å; V510-F577 HydrophobicContact CB-CE2 4.16Å; V510-F577 HydrophobicContact CG1-CD2 4Å; V510-F577 HydrophobicContact CG1-CE2 4.31Å; V510-F577 HydrophobicContact CG1-CG 4.2Å; V510-F577 WeakPolarHBondContact O-CZ 3.45Å
511	M	97.7	Very high	98.4	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.039	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	49.4	-178.6	-161.8	64.6	-151.8	0	0	113	Y393 P395 Y403 I405 C476 I477 K513 F577	Y393-M511 HydrophobicContact CD1-CB 4.33Å; Y393-M511 HydrophobicContact CD1-CG 3.48Å; Y393-M511 VanDerWaalsContact CD1-CG 3.48Å; Y393-M511 HydrophobicContact CD1-SD 4.16Å; Y393-M511 HydrophobicContact CE1-CB 4.42Å; Y393-M511 HydrophobicContact CE1-CG 3.62Å; Y393-M511 HydrophobicContact CG-CG 4.48Å; P395-M511 HydrophobicContact CB-CE 4Å; P395-M511 HydrophobicContact CG-CE 3.74Å; Y403-M511 HydrophobicContact CD1-CE 4.14Å; Y403-M511 HydrophobicContact CD2-CE 3.76Å; Y403-M511 HydrophobicContact CE1-CE 4.42Å; Y403-M511 HydrophobicContact CE2-CE 4.08Å; Y403-M511 HydrophobicContact CG-CE 3.8Å; Y403-M511 HydrophobicContact CG-SD 4.17Å; I405-M511 HydrophobicContact CD1-CB 3.99Å; I405-M511 HydrophobicContact CD1-CG 4.47Å; C476-M511 WeakPolarHBondContact O-CA 3.42Å; C476-M511 PolarHBondContact O-N 3.02Å; C476-M511 VanDerWaalsContact O-N 3.09Å; I477-M511 HydrophobicContact CD1-CE 4.01Å; I477-M511 HydrophobicContact CD1-SD 4.04Å; I477-M511 HydrophobicContact CG2-SD 4.01Å; I477-M511 PolarHBondContact O-N 2.89Å; M511-K513 PolarHBondContact O-N 3.14Å; M511-F577 HydrophobicContact CB-CD1 4.19Å; M511-F577 HydrophobicContact CB-CE1 3.78Å; M511-F577 HydrophobicContact CB-CZ 4.33Å; M511-F577 HydrophobicContact CG-CE1 4.48Å
512	K	97.4	Very high	98.5	Very high	71 Å²	71	17 Å²	17	31%	0.309	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	19.3	177.9	-39.8	174.1	-179.6	-179.3	0	114.7	E473 V474 C476 I477 V510	E473-K512 WeakPolarHBondContact O-CA 3.48Å; V474-K512 HydrophobicContact CB-CD 4.47Å; V474-K512 VanDerWaalsContact O-CE 3.3Å; V474-K512 WeakPolarHBondContact O-CE 3.4Å; C476-K512 PolarHBondContact O-N 3.48Å; I477-K512 HydrophobicContact CD1-CG 4.14Å; V510-K512 PolarHBondContact O-N 3.17Å
513	K	97.6	Very high	98.5	Very high	88 Å²	88	18.5 Å²	18.5	38%	0.383	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138	175.2	-52.7	-67.8	166.8	-164.9	0	110.4	T350 F509 V510 M511 F577	T350-K513 HydrophobicContact CG2-CD 4.17Å; T350-K513 HydrophobicContact CG2-CG 4.48Å; F509-K513 CarbonylContact C-O 3.58Å; F509-K513 WeakPolarHBondContact CA-O 3.4Å; V510-K513 PolarHBondContact N-O 2.96Å; V510-K513 PolarHBondContact O-N 3.37Å; V510-K513 VanDerWaalsContact O-O 3.06Å; M511-K513 PolarHBondContact O-N 3.14Å; K513-F577 HydrophobicContact CB-CE2 4.47Å; K513-F577 HydrophobicContact CB-CZ 3.86Å; K513-F577 HydrophobicContact CG-CZ 4.07Å
514	E	98.1	Very high	98.5	Very high	56 Å²	56	21.1 Å²	21.1	26%	0.262	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133.5	172.2	179.3	-138.3	162.2	0	0	109.8	E507 L508 F509 R573	E507-E514 HydrophobicContact CB-CG 4.45Å; L508-E514 CarbonylContact O-C 3.58Å; L508-E514 WeakPolarHBondContact O-CA 3.36Å; F509-E514 HydrophobicContact CD1-CB 4.13Å; F509-E514 HydrophobicContact CE1-CB 3.62Å; F509-E514 HydrophobicContact CE2-CB 4.34Å; F509-E514 HydrophobicContact CZ-CB 3.75Å; F509-E514 HydrophobicContact CZ-CG 4.36Å; E514-R573 WeakPolarHBondContact O-CD 3.44Å; E514-R573 PolarHBondContact O-NH1 2.91Å; E514-R573 IonicContact OE2-NH1 2.8Å; E514-R573 PolarHBondContact OE2-NH1 2.6Å
515	I	97.4	Very high	98.5	Very high	2 Å²	2	22 Å²	22	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-29	172.5	56.4	163.7	0	0	0	112.8	L378 L508 V510 M569 G570 R573 F577	L378-I515 HydrophobicContact CD1-CD1 3.85Å; L508-I515 HydrophobicContact CB-CG1 4.15Å; L508-I515 HydrophobicContact CD2-CD1 3.66Å; L508-I515 HydrophobicContact CD2-CG1 3.99Å; L508-I515 HydrophobicContact CG-CD1 4.06Å; L508-I515 HydrophobicContact CG-CG1 3.94Å; L508-I515 VanDerWaalsContact O-CG1 3.28Å; L508-I515 WeakPolarHBondContact O-CG1 3.45Å; L508-I515 PolarHBondContact O-N 2.95Å; V510-I515 HydrophobicContact CB-CD1 4.28Å; V510-I515 HydrophobicContact CB-CG2 4.44Å; V510-I515 HydrophobicContact CG2-CD1 3.48Å; V510-I515 VanDerWaalsContact CG2-CD1 3.48Å; V510-I515 HydrophobicContact CG2-CG1 4.08Å; I515-M569 CarbonylContact O-C 3.5Å; I515-M569 VanDerWaalsContact O-CA 3.24Å; I515-M569 WeakPolarHBondContact O-CA 3.26Å; I515-M569 VanDerWaalsContact O-CG 3.24Å; I515-M569 WeakPolarHBondContact O-CG 3.32Å; I515-G570 PolarHBondContact O-N 3.43Å; I515-R573 HydrophobicContact CG2-CB 4.21Å; I515-F577 HydrophobicContact CG2-CD2 3.93Å; I515-F577 HydrophobicContact CG2-CE2 3.48Å; I515-F577 VanDerWaalsContact CG2-CE2 3.48Å
516	C	98.6	Very high	98.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.8	178.2	-49.6	0	0	0	0	110.5	E507 L508 W567 G568	E507-C516 CarbonylContact C-O 3.58Å; E507-C516 WeakPolarHBondContact CA-O 3.29Å; L508-C516 HydrophobicContact CB-CB 3.88Å; L508-C516 PolarHBondContact N-O 3.37Å; L508-C516 PolarHBondContact O-N 3.46Å; C516-W567 HydrophobicContact CB-CZ2 4.25Å; C516-W567 WeakPolarHBondContact SG-CZ2 3.39Å; C516-G568 CarbonylContact C-O 3.6Å; C516-G568 WeakPolarHBondContact CA-O 3.37Å
517	N	98.8	Very high	98.4	Very high	40 Å²	40	27.3 Å²	27.3	21%	0.214	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	134	167.9	179	37.1	0	0	0	108.1	R505 E507 G568	R505-N517 PolarHBondContact NE-OD1 3.45Å; E507-N517 HydrophobicContact CG-CB 4.18Å; E507-N517 WeakPolarHBondContact CG-OD1 3.41Å; N517-G568 PolarHBondContact N-O 3Å; N517-G568 PolarHBondContact O-N 3.49Å
518	A	98.9	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	153	-174.2	0	0	0	0	0	111.7	L370 R505 F506 G566 W567	L370-A518 HydrophobicContact CD1-CB 4.06Å; R505-A518 CarbonylContact C-O 3.57Å; R505-A518 WeakPolarHBondContact CA-O 3.48Å; R505-A518 WeakPolarHBondContact CG-O 3.41Å; F506-A518 HydrophobicContact CD1-CB 4.18Å; F506-A518 HydrophobicContact CD2-CB 4.27Å; F506-A518 HydrophobicContact CE1-CB 3.63Å; F506-A518 HydrophobicContact CE2-CB 3.73Å; F506-A518 HydrophobicContact CG-CB 4.49Å; F506-A518 HydrophobicContact CZ-CB 3.4Å; F506-A518 VanDerWaalsContact CZ-CB 3.4Å; F506-A518 PolarHBondContact N-O 3.25Å; F506-A518 PolarHBondContact O-N 2.92Å; F506-A518 VanDerWaalsContact O-O 3.11Å; A518-G566 VanDerWaalsContact CA-O 3.24Å; A518-G566 WeakPolarHBondContact CA-O 3.42Å; A518-G566 VanDerWaalsContact CB-O 3.31Å; A518-G566 WeakPolarHBondContact CB-O 3.47Å; A518-W567 HydrophobicContact CB-CB 4.08Å; A518-W567 HydrophobicContact CB-CG 4.08Å
519	Y	98.9	Very high	98.4	Very high	22 Å²	22	28.7 Å²	28.7	9%	0.086	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	160.4	179.5	36.3	-93.2	0	0	0	112.6	E321 L492 A493 E504 R505 E521 A565 G566	E321-Y519 PolarHBondContact OE1-OH 3.27Å; E321-Y519 PolarHBondContact OE2-OH 2.95Å; L492-Y519 HydrophobicContact CB-CE2 4.17Å; A493-Y519 HydrophobicContact CB-CD1 4.19Å; A493-Y519 HydrophobicContact CB-CD2 3.87Å; A493-Y519 HydrophobicContact CB-CG 3.65Å; E504-Y519 CarbonylContact O-C 3.58Å; E504-Y519 WeakPolarHBondContact O-CA 3.4Å; E504-Y519 WeakPolarHBondContact O-CB 3.44Å; R505-Y519 HydrophobicContact CG-CD1 4.1Å; Y519-E521 VanDerWaalsContact CD2-OE1 3.3Å; Y519-E521 WeakPolarHBondContact CD2-OE1 3.5Å; Y519-E521 WeakPolarHBondContact CE2-OE1 3.36Å; Y519-E521 WeakPolarHBondContact CE2-OE2 3.36Å; Y519-E521 PolarHBondContact O-N 3.28Å; Y519-A565 WeakPolarHBondContact O-CA 3.33Å; Y519-G566 PolarHBondContact N-O 3Å; Y519-G566 PolarHBondContact O-N 3.27Å
520	T	98.9	Very high	98.3	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.055	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	125.5	159	-52.1	0	0	0	0	107.5	Y367 K494 E504	Y367-T520 PolarHBondContact N-OG1 3.31Å; Y367-T520 VanDerWaalsContact N-OG1 3.08Å; K494-T520 HydrophobicContact CB-CG2 4.18Å; K494-T520 VanDerWaalsContact CB-O 3.3Å; K494-T520 WeakPolarHBondContact CB-O 3.45Å; K494-T520 HydrophobicContact CD-CG2 4Å; K494-T520 PolarHBondContact N-O 2.91Å; E504-T520 WeakPolarHBondContact CB-OG1 3.42Å; E504-T520 PolarHBondContact O-N 2.89Å; E504-T520 WeakPolarHBondContact OE2-CB 3.41Å; E504-T520 PolarHBondContact OE2-OG1 2.97Å
521	E	98.9	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-71.9	133.1	-173.1	-64.7	-58	140.3	0	0	111.7	K325 Y361 Y519 N523 L561 T564 G566	K325-E521 HydrophobicContact CD-CB 4.32Å; K325-E521 HydrophobicContact CD-CG 4.25Å; K325-E521 VanDerWaalsContact CD-OE2 3.27Å; K325-E521 WeakPolarHBondContact CD-OE2 3.25Å; K325-E521 WeakPolarHBondContact CE-OE2 3.4Å; K325-E521 IonicContact NZ-OE2 2.94Å; K325-E521 PolarHBondContact NZ-OE2 2.89Å; Y361-E521 HydrophobicContact CD1-CG 4.11Å; Y361-E521 HydrophobicContact CE1-CG 4.19Å; Y361-E521 WeakPolarHBondContact CE1-OE1 3.49Å; Y519-E521 VanDerWaalsContact CD2-OE1 3.3Å; Y519-E521 WeakPolarHBondContact CD2-OE1 3.5Å; Y519-E521 WeakPolarHBondContact CE2-OE1 3.36Å; Y519-E521 WeakPolarHBondContact CE2-OE2 3.36Å; Y519-E521 PolarHBondContact O-N 3.28Å; E521-N523 PolarHBondContact O-N 3.17Å; E521-L561 HydrophobicContact CB-CD2 4.43Å; E521-T564 WeakPolarHBondContact CB-O 3.38Å; E521-T564 HydrophobicContact CG-CG2 3.99Å; E521-T564 PolarHBondContact N-O 2.98Å; E521-G566 WeakPolarHBondContact OE1-CA 3.4Å; E521-G566 PolarHBondContact OE1-N 3.39Å
522	L	98.8	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-66.4	116.7	168.9	179.7	58.8	0	0	0	109.3	L492 K494 W495 D524 I527 Q528 L531	L492-L522 VanDerWaalsContact O-CB 3.25Å; L492-L522 WeakPolarHBondContact O-CB 3.37Å; L492-L522 PolarHBondContact O-N 3.01Å; K494-L522 HydrophobicContact CG-CD1 4.47Å; W495-L522 HydrophobicContact CE3-CD1 3.94Å; W495-L522 HydrophobicContact CZ3-CD1 3.62Å; L522-D524 HydrophobicContact CD1-CB 4.2Å; L522-I527 HydrophobicContact CD1-CB 4.4Å; L522-I527 HydrophobicContact CD1-CG2 4.24Å; L522-I527 HydrophobicContact CD2-CG2 4.15Å; L522-Q528 HydrophobicContact CD2-CB 3.93Å; L522-Q528 HydrophobicContact CG-CB 4.32Å; L522-L531 HydrophobicContact CD2-CD1 3.53Å
523	N	98.6	Very high	97.9	Very high	32 Å²	32	34 Å²	34	17%	0.171	17%	0.169	C	C	.	.			trans	-120.1	8.7	-178.2	73.9	-36.5	0	0	0	113.5	K494 E521 P525 L561	K494-N523 WeakPolarHBondContact CE-OD1 3.34Å; K494-N523 PolarHBondContact NZ-OD1 3.41Å; E521-N523 PolarHBondContact O-N 3.17Å; N523-P525 WeakPolarHBondContact O-CD 3.37Å; N523-L561 HydrophobicContact CB-CB 3.94Å; N523-L561 HydrophobicContact CB-CD2 3.85Å; N523-L561 HydrophobicContact CB-CG 3.92Å; N523-L561 WeakPolarHBondContact CB-O 3.3Å; N523-L561 PolarHBondContact ND2-O 2.89Å
524	D	98.8	Very high	97.6	Very high	55 Å²	55	34.6 Å²	34.6	29%	0.294	17%	0.173	S	C	.	.			trans	-89.9	112.3	169.8	-172.4	-44.5	0	0	0	109.2	W495 L522 V526 I527 Q528	W495-D524 HydrophobicContact CH2-CB 4.14Å; W495-D524 HydrophobicContact CZ3-CB 4.05Å; L522-D524 HydrophobicContact CD1-CB 4.2Å; D524-V526 VanDerWaalsContact C-N 3.29Å; D524-V526 PolarHBondContact O-N 3.38Å; D524-V526 WeakPolarHBondContact OD1-CB 3.48Å; D524-V526 PolarHBondContact OD1-N 2.95Å; D524-I527 HydrophobicContact CB-CB 4.21Å; D524-I527 HydrophobicContact CB-CG1 4.16Å; D524-I527 PolarHBondContact OD1-N 3Å; D524-Q528 WeakPolarHBondContact O-CB 3.25Å; D524-Q528 PolarHBondContact O-N 2.75Å
525	P	98.4	Very high	97.3	Very high	27 Å²	27	33.4 Å²	33.4	18%	0.175	17%	0.167	C	C	.	.	H	α-helix	trans	-67.7	-27.1	-175.8	26.5	-34.4	0	0	0	113.6	N523 R529 L557 E558	N523-P525 WeakPolarHBondContact O-CD 3.37Å; P525-R529 WeakPolarHBondContact O-CB 3.34Å; P525-R529 PolarHBondContact O-N 3.12Å; P525-R529 VanDerWaalsContact O-N 3.1Å; P525-L557 HydrophobicContact CB-CB 3.82Å; P525-E558 HydrophobicContact CB-CG 3.61Å; P525-E558 HydrophobicContact CG-CG 3.84Å
526	V	98.4	Very high	96.9	Very high	83 Å²	83	34.8 Å²	34.8	50%	0.503	18%	0.179	S	C	.	.	H	α-helix	trans	-71.6	-50.7	-179.6	179.8	0	0	0	0	108.9	D524 Q528 R529 E530	D524-V526 VanDerWaalsContact C-N 3.29Å; D524-V526 PolarHBondContact O-N 3.38Å; D524-V526 WeakPolarHBondContact OD1-CB 3.48Å; D524-V526 PolarHBondContact OD1-N 2.95Å; V526-Q528 VanDerWaalsContact C-N 3.32Å; V526-Q528 PolarHBondContact O-N 2.89Å; V526-R529 PolarHBondContact O-N 2.89Å; V526-E530 WeakPolarHBondContact O-CG 3.49Å; V526-E530 PolarHBondContact O-N 3.04Å
527	I	98	Very high	96.5	Very high	53 Å²	53	40.8 Å²	40.8	27%	0.272	21%	0.205	S	C	.	.	H	α-helix	trans	-64.2	-39.4	177.5	-57.7	-57.3	0	0	0	111	W495 L522 D524 R529 E530 L531	W495-I527 HydrophobicContact CZ3-CG1 4.34Å; L522-I527 HydrophobicContact CD1-CB 4.4Å; L522-I527 HydrophobicContact CD1-CG2 4.24Å; L522-I527 HydrophobicContact CD2-CG2 4.15Å; D524-I527 HydrophobicContact CB-CB 4.21Å; D524-I527 HydrophobicContact CB-CG1 4.16Å; D524-I527 PolarHBondContact OD1-N 3Å; I527-R529 VanDerWaalsContact C-N 3.3Å; I527-R529 PolarHBondContact O-N 2.83Å; I527-E530 PolarHBondContact O-N 2.89Å; I527-L531 HydrophobicContact CG2-CD1 4.18Å; I527-L531 HydrophobicContact CG2-CG 4.49Å; I527-L531 WeakPolarHBondContact O-CG 3.18Å; I527-L531 PolarHBondContact O-N 3.15Å
528	Q	98.4	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-40.6	177.4	-176.2	61.8	85.5	0	0	112	P491 L522 D524 V526 L531 F532 F553 L557	P491-Q528 PolarHBondContact O-NE2 3.01Å; L522-Q528 HydrophobicContact CD2-CB 3.93Å; L522-Q528 HydrophobicContact CG-CB 4.32Å; D524-Q528 WeakPolarHBondContact O-CB 3.25Å; D524-Q528 PolarHBondContact O-N 2.75Å; V526-Q528 VanDerWaalsContact C-N 3.32Å; V526-Q528 PolarHBondContact O-N 2.89Å; Q528-L531 PolarHBondContact O-N 3.47Å; Q528-F532 HydrophobicContact CG-CD2 4.11Å; Q528-F532 HydrophobicContact CG-CE2 3.78Å; Q528-F532 HydrophobicContact CG-CZ 4.42Å; Q528-F532 WeakPolarHBondContact O-CD2 3.27Å; Q528-F532 PolarHBondContact O-N 2.87Å; Q528-F553 HydrophobicContact CG-CE1 4.03Å; Q528-L557 HydrophobicContact CB-CD1 3.81Å; Q528-L557 HydrophobicContact CG-CD1 3.73Å
529	R	98.1	Very high	95.3	Very high	52 Å²	52	42.5 Å²	42.5	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-65.3	-43.8	176.4	-173.4	174.1	-72.6	110.3	-10.6	111.6	P525 V526 I527 L531 F532 E533 E551 E558	P525-R529 WeakPolarHBondContact O-CB 3.34Å; P525-R529 PolarHBondContact O-N 3.12Å; P525-R529 VanDerWaalsContact O-N 3.1Å; V526-R529 PolarHBondContact O-N 2.89Å; I527-R529 VanDerWaalsContact C-N 3.3Å; I527-R529 PolarHBondContact O-N 2.83Å; R529-L531 VanDerWaalsContact C-N 3.31Å; R529-L531 PolarHBondContact O-N 3.24Å; R529-F532 PolarHBondContact O-N 3.24Å; R529-F532 VanDerWaalsContact O-N 3.17Å; R529-E533 WeakPolarHBondContact O-CG 3.43Å; R529-E533 PolarHBondContact O-N 3.13Å; R529-E551 IonicContact CZ-OE2 3.84Å; R529-E551 IonicContact NE-OE1 3.8Å; R529-E551 PolarHBondContact NE-OE1 2.97Å; R529-E551 IonicContact NE-OE2 3.81Å; R529-E551 PolarHBondContact NE-OE2 2.94Å; R529-E551 VanDerWaalsContact NE-OE2 3.15Å; R529-E551 IonicContact NH2-OE2 3.42Å; R529-E551 PolarHBondContact NH2-OE2 3.1Å; R529-E558 IonicContact CZ-OE1 3Å; R529-E558 IonicContact NH1-OE1 3.37Å; R529-E558 PolarHBondContact NH1-OE1 3.37Å; R529-E558 VanDerWaalsContact NH1-OE1 3.12Å; R529-E558 IonicContact NH2-OE1 3.15Å; R529-E558 PolarHBondContact NH2-OE1 3.5Å
530	E	96.4	Very high	94.8	Very high	89 Å²	89	45.9 Å²	45.9	42%	0.416	25%	0.247	S	C	.	.	H	α-helix	trans	-57.8	-42.3	174.7	-70.1	174.7	-173.5	0	0	112	V526 I527 E533 Q534	V526-E530 WeakPolarHBondContact O-CG 3.49Å; V526-E530 PolarHBondContact O-N 3.04Å; I527-E530 PolarHBondContact O-N 2.89Å; E530-E533 WeakPolarHBondContact O-CB 3.41Å; E530-E533 PolarHBondContact O-N 3.48Å; E530-Q534 WeakPolarHBondContact O-CG 3.43Å; E530-Q534 PolarHBondContact O-N 3Å
531	L	95.6	Very high	94.2	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-36.7	177	-69.6	172.5	0	0	0	112.3	Q487 P491 L522 I527 Q528 R529 Q534 Q535	Q487-L531 HydrophobicContact CG-CD2 4.28Å; P491-L531 WeakPolarHBondContact O-CD1 3.4Å; L522-L531 HydrophobicContact CD2-CD1 3.53Å; I527-L531 HydrophobicContact CG2-CD1 4.18Å; I527-L531 HydrophobicContact CG2-CG 4.49Å; I527-L531 WeakPolarHBondContact O-CG 3.18Å; I527-L531 PolarHBondContact O-N 3.15Å; Q528-L531 PolarHBondContact O-N 3.47Å; R529-L531 VanDerWaalsContact C-N 3.31Å; R529-L531 PolarHBondContact O-N 3.24Å; L531-Q534 PolarHBondContact O-N 2.81Å; L531-Q535 WeakPolarHBondContact O-CG 3.33Å; L531-Q535 PolarHBondContact O-N 3.28Å
532	F	96	Very high	93.4	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-38.8	172	-79.5	-42.8	0	0	0	112.6	L492 Q528 R529 Q534 Q535 A536 M547 F548 I549 F553	L492-F532 HydrophobicContact CD2-CE1 4.17Å; L492-F532 HydrophobicContact CD2-CZ 4.1Å; Q528-F532 HydrophobicContact CG-CD2 4.11Å; Q528-F532 HydrophobicContact CG-CE2 3.78Å; Q528-F532 HydrophobicContact CG-CZ 4.42Å; Q528-F532 WeakPolarHBondContact O-CD2 3.27Å; Q528-F532 PolarHBondContact O-N 2.87Å; R529-F532 PolarHBondContact O-N 3.24Å; R529-F532 VanDerWaalsContact O-N 3.17Å; F532-Q534 VanDerWaalsContact C-N 3.3Å; F532-Q534 PolarHBondContact O-N 3.36Å; F532-Q535 PolarHBondContact O-N 3.42Å; F532-A536 WeakPolarHBondContact O-CB 3.42Å; F532-A536 PolarHBondContact O-N 3.22Å; F532-M547 HydrophobicContact CE1-SD 4.31Å; F532-F548 WeakPolarHBondContact CD1-O 3.47Å; F532-I549 HydrophobicContact CB-CB 4.33Å; F532-I549 HydrophobicContact CB-CG1 4.1Å; F532-I549 HydrophobicContact CB-CG2 4.16Å; F532-F553 AromaticContact CE2-CD1 3.87Å; F532-F553 HydrophobicContact CE2-CD1 3.87Å; F532-F553 HydrophobicContact CE2-CE1 4.42Å; F532-F553 AromaticContact CZ-CD1 3.97Å; F532-F553 HydrophobicContact CZ-CD1 3.97Å; F532-F553 HydrophobicContact CZ-CE1 4.4Å
533	E	94.2	Very high	92.7	Very high	89 Å²	89	56.3 Å²	56.3	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-38.7	174.2	-71	175.5	-174	0	0	111.7	R529 E530 A536 K537 I549	R529-E533 WeakPolarHBondContact O-CG 3.43Å; R529-E533 PolarHBondContact O-N 3.13Å; E530-E533 WeakPolarHBondContact O-CB 3.41Å; E530-E533 PolarHBondContact O-N 3.48Å; E533-A536 PolarHBondContact O-N 2.94Å; E533-K537 VanDerWaalsContact O-CG 3.3Å; E533-K537 WeakPolarHBondContact O-CG 3.41Å; E533-K537 PolarHBondContact O-N 3.19Å; E533-I549 HydrophobicContact CG-CD1 4.36Å
534	Q	91.1	Very high	92	Very high	100 Å²	100	59.6 Å²	59.6	47%	0.467	33%	0.326	S	S	.	.	H	α-helix	trans	-64.5	-44.6	173.8	-68.8	172.3	21.7	0	0	111.8	E530 L531 F532 A536 K537 A538	E530-Q534 WeakPolarHBondContact O-CG 3.43Å; E530-Q534 PolarHBondContact O-N 3Å; L531-Q534 PolarHBondContact O-N 2.81Å; F532-Q534 VanDerWaalsContact C-N 3.3Å; F532-Q534 PolarHBondContact O-N 3.36Å; Q534-A536 VanDerWaalsContact C-N 3.34Å; Q534-A536 PolarHBondContact O-N 3.47Å; Q534-K537 PolarHBondContact O-N 3.42Å; Q534-A538 PolarHBondContact O-N 3.33Å
535	Q	91.7	Very high	91.3	Very high	31 Å²	31	60.2 Å²	60.2	15%	0.145	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-41.4	175.2	-72.6	-68.7	-52.4	0	0	112	P491 L531 F532 K537 A538 K539 A546 M547	P491-Q535 HydrophobicContact CB-CG 4.02Å; P491-Q535 HydrophobicContact CG-CG 4.4Å; L531-Q535 WeakPolarHBondContact O-CG 3.33Å; L531-Q535 PolarHBondContact O-N 3.28Å; F532-Q535 PolarHBondContact O-N 3.42Å; Q535-K537 VanDerWaalsContact C-N 3.34Å; Q535-K537 PolarHBondContact O-N 2.91Å; Q535-A538 PolarHBondContact O-N 3.43Å; Q535-K539 WeakPolarHBondContact O-CB 3.47Å; Q535-K539 PolarHBondContact O-N 3.46Å; Q535-A546 WeakPolarHBondContact O-CB 3.32Å; Q535-M547 HydrophobicContact CB-CB 4.11Å; Q535-M547 HydrophobicContact CG-CB 4.24Å
536	A	90.7	Very high	90.8	Very high	30 Å²	30	59 Å²	59	25%	0.248	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-36.9	176.7	0	0	0	0	0	112.5	F532 E533 Q534 K539 A540 I549	F532-A536 WeakPolarHBondContact O-CB 3.42Å; F532-A536 PolarHBondContact O-N 3.22Å; E533-A536 PolarHBondContact O-N 2.94Å; Q534-A536 VanDerWaalsContact C-N 3.34Å; Q534-A536 PolarHBondContact O-N 3.47Å; A536-K539 WeakPolarHBondContact O-CB 3.2Å; A536-K539 PolarHBondContact O-N 2.87Å; A536-A540 PolarHBondContact O-N 3.21Å; A536-I549 HydrophobicContact CB-CD1 3.94Å; A536-I549 HydrophobicContact CB-CG1 3.84Å
537	K	89.3	Confident	90.4	Very high	127 Å²	127	55.6 Å²	55.6	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-63.5	-48.8	172.2	-72.4	168	-172.7	169	0	111.3	E533 Q534 Q535 K539 A540 E541	E533-K537 VanDerWaalsContact O-CG 3.3Å; E533-K537 WeakPolarHBondContact O-CG 3.41Å; E533-K537 PolarHBondContact O-N 3.19Å; Q534-K537 PolarHBondContact O-N 3.42Å; Q535-K537 VanDerWaalsContact C-N 3.34Å; Q535-K537 PolarHBondContact O-N 2.91Å; K537-K539 VanDerWaalsContact C-N 3.25Å; K537-K539 PolarHBondContact O-N 3.08Å; K537-A540 WeakPolarHBondContact O-CB 3.33Å; K537-A540 PolarHBondContact O-N 2.96Å; K537-E541 WeakPolarHBondContact O-CG 3.41Å; K537-E541 PolarHBondContact O-N 3.28Å
538	A	86	Confident	90.1	Very high	24 Å²	24	56.2 Å²	56.2	20%	0.198	30%	0.298	C	S	.	.	H	α-helix	trans	-58.1	-39.2	176.5	0	0	0	0	0	112.1	Q534 Q535 E541 G542 D543 A546	Q534-A538 PolarHBondContact O-N 3.33Å; Q535-A538 PolarHBondContact O-N 3.43Å; A538-E541 CarbonylContact O-C 3.59Å; A538-E541 PolarHBondContact O-N 3.5Å; A538-G542 PolarHBondContact O-N 3.23Å; A538-D543 HydrophobicContact CB-CB 4.41Å; A538-D543 WeakPolarHBondContact O-CB 3.41Å; A538-D543 PolarHBondContact O-N 3.04Å; A538-A546 HydrophobicContact CB-CB 4.35Å
539	K	87.1	Confident	89.9	Confident	52 Å²	52	59 Å²	59	23%	0.226	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-44.9	173.9	-161.7	-174.4	-163.3	101.3	0	112.4	Q535 A536 K537 E541 G542 D543 A546 F548	Q535-K539 WeakPolarHBondContact O-CB 3.47Å; Q535-K539 PolarHBondContact O-N 3.46Å; A536-K539 WeakPolarHBondContact O-CB 3.2Å; A536-K539 PolarHBondContact O-N 2.87Å; K537-K539 VanDerWaalsContact C-N 3.25Å; K537-K539 PolarHBondContact O-N 3.08Å; K539-E541 PolarHBondContact O-N 3.12Å; K539-G542 PolarHBondContact O-N 2.81Å; K539-D543 WeakPolarHBondContact CA-O 3.29Å; K539-A546 HydrophobicContact CB-CB 3.96Å; K539-A546 HydrophobicContact CG-CB 4.5Å; K539-A546 PolarHBondContact NZ-O 2.76Å; K539-F548 HydrophobicContact CD-CD1 4.27Å; K539-F548 HydrophobicContact CD-CE1 4.05Å; K539-F548 HydrophobicContact CD-CZ 4.42Å; K539-F548 VanDerWaalsContact CE-CE1 3.41Å
540	A	87.8	Confident	89.9	Confident	93 Å²	93	57.7 Å²	57.7	77%	0.769	31%	0.31	S	S	*	.	H	α-helix	trans	-63.9	-25.4	176.4	0	0	0	0	0	112.6	A536 K537 G542	A536-A540 PolarHBondContact O-N 3.21Å; K537-A540 WeakPolarHBondContact O-CB 3.33Å; K537-A540 PolarHBondContact O-N 2.96Å; A540-G542 VanDerWaalsContact C-N 3.31Å
541	E	86.1	Confident	89.9	Confident	164 Å²	164	57.5 Å²	57.5	77%	0.766	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	0.9	175	-68.3	172.2	-177.5	0	0	113.7	K537 A538 K539	K537-E541 WeakPolarHBondContact O-CG 3.41Å; K537-E541 PolarHBondContact O-N 3.28Å; A538-E541 CarbonylContact O-C 3.59Å; A538-E541 PolarHBondContact O-N 3.5Å; K539-E541 PolarHBondContact O-N 3.12Å
542	G	83	Confident	90	Very high	44 Å²	44	61.7 Å²	61.7	45%	0.454	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.4	13.8	172.2	0	0	0	0	0	115.6	A538 K539 A540 D544	A538-G542 PolarHBondContact O-N 3.23Å; K539-G542 PolarHBondContact O-N 2.81Å; A540-G542 VanDerWaalsContact C-N 3.31Å; G542-D544 PolarHBondContact O-N 2.91Å
543	D	83.1	Confident	90.1	Very high	21 Å²	21	61.5 Å²	61.5	11%	0.112	33%	0.334	C	S	.	.			trans	-82.2	93.1	168.7	-164.5	-18.6	0	0	0	111	P457 A538 K539 E545 A546	P457-D543 HydrophobicContact CG-CB 4.31Å; A538-D543 HydrophobicContact CB-CB 4.41Å; A538-D543 WeakPolarHBondContact O-CB 3.41Å; A538-D543 PolarHBondContact O-N 3.04Å; K539-D543 WeakPolarHBondContact CA-O 3.29Å; D543-E545 PolarHBondContact O-N 2.68Å; D543-E545 VanDerWaalsContact O-N 3.15Å; D543-E545 PolarHBondContact OD1-N 2.94Å; D543-A546 HydrophobicContact CB-CB 4Å; D543-A546 WeakPolarHBondContact O-CB 3.39Å; D543-A546 PolarHBondContact O-N 3.1Å
544	D	83.4	Confident	90.3	Very high	101 Å²	101	57.3 Å²	57.3	54%	0.54	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.1	-178.3	-76.9	-19	0	0	0	113.8	G542	G542-D544 PolarHBondContact O-N 2.91Å
545	E	85.2	Confident	90.6	Very high	68 Å²	68	55.4 Å²	55.4	32%	0.318	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-15.2	-177.5	-61.4	174	173.1	0	0	112.5	V299 A300 R462 D543	V299-E545 WeakPolarHBondContact CA-O 3.34Å; V299-E545 HydrophobicContact CG1-CB 3.61Å; V299-E545 WeakPolarHBondContact CG1-O 3.43Å; A300-E545 PolarHBondContact N-O 2.83Å; R462-E545 IonicContact NH1-OE2 3.92Å; D543-E545 PolarHBondContact O-N 2.68Å; D543-E545 VanDerWaalsContact O-N 3.15Å; D543-E545 PolarHBondContact OD1-N 2.94Å
546	A	87.6	Confident	91	Very high	2 Å²	2	54.7 Å²	54.7	2%	0.017	31%	0.309	C	S	.	.	S	Bend	trans	-62.7	146.2	-178.6	0	0	0	0	0	112.7	Q535 A538 K539 D543	Q535-A546 WeakPolarHBondContact O-CB 3.32Å; A538-A546 HydrophobicContact CB-CB 4.35Å; K539-A546 HydrophobicContact CB-CB 3.96Å; K539-A546 HydrophobicContact CG-CB 4.5Å; K539-A546 PolarHBondContact NZ-O 2.76Å; D543-A546 HydrophobicContact CB-CB 4Å; D543-A546 WeakPolarHBondContact O-CB 3.39Å; D543-A546 PolarHBondContact O-N 3.1Å
547	M	90	Very high	91.4	Very high	10 Å²	10	53.4 Å²	53.4	5%	0.049	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-68.7	157.1	-174	-64.2	179.7	178	0	0	112.8	A298 V299 P491 L492 F532 Q535	A298-M547 VanDerWaalsContact C-CE 3.43Å; A298-M547 WeakPolarHBondContact O-CE 3.28Å; V299-M547 HydrophobicContact CG2-CE 4.01Å; P491-M547 HydrophobicContact CB-SD 4.44Å; P491-M547 HydrophobicContact CG-CE 3.8Å; P491-M547 HydrophobicContact CG-SD 3.77Å; L492-M547 HydrophobicContact CD1-CE 3.69Å; L492-M547 HydrophobicContact CD1-SD 4.11Å; L492-M547 HydrophobicContact CD2-SD 4.45Å; L492-M547 HydrophobicContact CG-CE 4.1Å; L492-M547 HydrophobicContact CG-SD 4.17Å; F532-M547 HydrophobicContact CE1-SD 4.31Å; Q535-M547 HydrophobicContact CB-CB 4.11Å; Q535-M547 HydrophobicContact CG-CB 4.24Å
548	F	90.9	Very high	91.8	Very high	66 Å²	66	52.3 Å²	52.3	29%	0.289	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-90.8	160.2	169.5	-63	-90.6	0	0	0	110.5	I294 P295 F532 K539 D550	I294-F548 HydrophobicContact CG2-CB 3.33Å; I294-F548 HydrophobicContact CG2-CD2 4.16Å; I294-F548 HydrophobicContact CG2-CG 3.9Å; P295-F548 HydrophobicContact CG-CD2 3.96Å; P295-F548 HydrophobicContact CG-CE2 3.69Å; F532-F548 WeakPolarHBondContact CD1-O 3.47Å; K539-F548 HydrophobicContact CD-CD1 4.27Å; K539-F548 HydrophobicContact CD-CE1 4.05Å; K539-F548 HydrophobicContact CD-CZ 4.42Å; K539-F548 VanDerWaalsContact CE-CE1 3.41Å; F548-D550 PolarHBondContact O-N 3.44Å
549	I	95.5	Very high	92.4	Very high	60 Å²	60	60.2 Å²	60.2	31%	0.308	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-76.4	122.1	170.3	-49.2	-178.4	0	0	0	108.6	F532 E533 A536 E551	F532-I549 HydrophobicContact CB-CB 4.33Å; F532-I549 HydrophobicContact CB-CG1 4.1Å; F532-I549 HydrophobicContact CB-CG2 4.16Å; E533-I549 HydrophobicContact CG-CD1 4.36Å; A536-I549 HydrophobicContact CB-CD1 3.94Å; A536-I549 HydrophobicContact CB-CG1 3.84Å; I549-E551 HydrophobicContact CG2-CG 4.27Å
550	D	96.4	Very high	92.9	Very high	23 Å²	23	59.7 Å²	59.7	12%	0.123	33%	0.331	C	S	.	.			trans	-110.7	92.5	172.9	-169.4	-25.2	0	0	0	110.4	L322 F548 T552 F553 C554	L322-D550 HydrophobicContact CD1-CB 4.35Å; F548-D550 PolarHBondContact O-N 3.44Å; D550-T552 PolarHBondContact O-N 2.95Å; D550-T552 WeakPolarHBondContact OD1-CA 3.45Å; D550-T552 WeakPolarHBondContact OD1-CB 3.46Å; D550-T552 PolarHBondContact OD1-N 3.4Å; D550-F553 HydrophobicContact CB-CB 3.97Å; D550-F553 PolarHBondContact O-N 3.4Å; D550-F553 PolarHBondContact OD1-N 3.11Å; D550-C554 PolarHBondContact O-N 3.17Å; D550-C554 PolarHBondContact O-SG 3.47Å
551	E	97.3	Very high	93.5	Very high	86 Å²	86	55.5 Å²	55.5	40%	0.402	30%	0.295	S	S	.	.	H	α-helix	trans	-67.9	-23.4	178.3	-74.1	-59.6	153.8	0	0	113.1	R529 I549 T555	R529-E551 IonicContact CZ-OE2 3.84Å; R529-E551 IonicContact NE-OE1 3.8Å; R529-E551 PolarHBondContact NE-OE1 2.97Å; R529-E551 IonicContact NE-OE2 3.81Å; R529-E551 PolarHBondContact NE-OE2 2.94Å; R529-E551 VanDerWaalsContact NE-OE2 3.15Å; R529-E551 IonicContact NH2-OE2 3.42Å; R529-E551 PolarHBondContact NH2-OE2 3.1Å; I549-E551 HydrophobicContact CG2-CG 4.27Å; E551-T555 WeakPolarHBondContact O-CB 2.87Å; E551-T555 PolarHBondContact O-N 3.04Å; E551-T555 PolarHBondContact O-OG1 3.07Å
552	T	97.1	Very high	94.1	Very high	101 Å²	101	49 Å²	49	62%	0.62	27%	0.267	S	S	*	.	H	α-helix	trans	-68.5	-43.2	175.4	-57.2	0	0	0	0	109.4	D550 T555 A556	D550-T552 PolarHBondContact O-N 2.95Å; D550-T552 WeakPolarHBondContact OD1-CA 3.45Å; D550-T552 WeakPolarHBondContact OD1-CB 3.46Å; D550-T552 PolarHBondContact OD1-N 3.4Å; T552-T555 WeakPolarHBondContact O-CB 3.49Å; T552-T555 PolarHBondContact O-N 3.13Å; T552-A556 PolarHBondContact O-N 3.03Å
553	F	98.3	Very high	94.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-45.3	174.3	176.5	-109.6	0	0	0	112.3	L322 K325 M326 Q528 F532 D550 T555 A556 L557	L322-F553 HydrophobicContact CB-CD2 3.94Å; L322-F553 HydrophobicContact CB-CE2 4.35Å; L322-F553 HydrophobicContact CB-CG 4.26Å; L322-F553 HydrophobicContact CD1-CB 4.4Å; L322-F553 HydrophobicContact CD1-CG 4.31Å; L322-F553 HydrophobicContact CD2-CD1 3.89Å; L322-F553 HydrophobicContact CD2-CD2 4.14Å; L322-F553 HydrophobicContact CD2-CE1 3.8Å; L322-F553 HydrophobicContact CD2-CE2 4.07Å; L322-F553 HydrophobicContact CD2-CG 4.06Å; L322-F553 HydrophobicContact CD2-CZ 3.91Å; L322-F553 HydrophobicContact CG-CD2 4.49Å; L322-F553 HydrophobicContact CG-CG 4.44Å; K325-F553 HydrophobicContact CB-CE2 3.74Å; K325-F553 HydrophobicContact CB-CZ 4.33Å; K325-F553 HydrophobicContact CD-CE2 4.12Å; K325-F553 HydrophobicContact CD-CZ 3.84Å; M326-F553 HydrophobicContact CG-CD2 4.05Å; Q528-F553 HydrophobicContact CG-CE1 4.03Å; F532-F553 AromaticContact CE2-CD1 3.87Å; F532-F553 HydrophobicContact CE2-CD1 3.87Å; F532-F553 HydrophobicContact CE2-CE1 4.42Å; F532-F553 AromaticContact CZ-CD1 3.97Å; F532-F553 HydrophobicContact CZ-CD1 3.97Å; F532-F553 HydrophobicContact CZ-CE1 4.4Å; D550-F553 HydrophobicContact CB-CB 3.97Å; D550-F553 PolarHBondContact O-N 3.4Å; D550-F553 PolarHBondContact OD1-N 3.11Å; F553-T555 VanDerWaalsContact C-N 3.29Å; F553-T555 PolarHBondContact O-N 3.34Å; F553-A556 WeakPolarHBondContact O-CB 3.49Å; F553-A556 PolarHBondContact O-N 3.37Å; F553-A556 VanDerWaalsContact O-N 3.07Å; F553-L557 HydrophobicContact CD1-CD1 4.39Å; F553-L557 HydrophobicContact CE1-CD1 3.71Å; F553-L557 HydrophobicContact CE1-CG 4.12Å; F553-L557 HydrophobicContact CE2-CD2 4.14Å; F553-L557 HydrophobicContact CE2-CG 4.28Å; F553-L557 HydrophobicContact CZ-CD1 3.88Å; F553-L557 HydrophobicContact CZ-CD2 3.85Å; F553-L557 HydrophobicContact CZ-CG 3.92Å; F553-L557 PolarHBondContact O-N 3.4Å
554	C	98.4	Very high	95.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.4	-42.2	174.5	-68.8	0	0	0	0	111.9	D550 A556 L557 E558	D550-C554 PolarHBondContact O-N 3.17Å; D550-C554 PolarHBondContact O-SG 3.47Å; C554-A556 VanDerWaalsContact C-N 3.3Å; C554-A556 PolarHBondContact O-N 3.16Å; C554-L557 WeakPolarHBondContact O-CB 3.44Å; C554-L557 PolarHBondContact O-N 3.4Å; C554-L557 VanDerWaalsContact O-N 3.16Å; C554-E558 WeakPolarHBondContact O-CG 3.09Å; C554-E558 PolarHBondContact O-N 3.44Å; C554-E558 VanDerWaalsContact O-N 3.11Å
555	T	98.7	Very high	96.3	Very high	60 Å²	60	44.5 Å²	44.5	37%	0.368	24%	0.237	S	C	.	.	H	α-helix	trans	-59.5	-41.5	174.7	-58.2	0	0	0	0	111	E551 T552 F553 L557 E558 Y559	E551-T555 WeakPolarHBondContact O-CB 2.87Å; E551-T555 PolarHBondContact O-N 3.04Å; E551-T555 PolarHBondContact O-OG1 3.07Å; T552-T555 WeakPolarHBondContact O-CB 3.49Å; T552-T555 PolarHBondContact O-N 3.13Å; F553-T555 VanDerWaalsContact C-N 3.29Å; F553-T555 PolarHBondContact O-N 3.34Å; T555-L557 VanDerWaalsContact C-N 3.34Å; T555-L557 PolarHBondContact O-N 2.96Å; T555-E558 WeakPolarHBondContact O-CB 3.33Å; T555-E558 PolarHBondContact O-N 3.25Å; T555-E558 VanDerWaalsContact O-N 3.17Å; T555-Y559 HydrophobicContact CG2-CE2 4.12Å; T555-Y559 WeakPolarHBondContact O-CD2 3.4Å; T555-Y559 PolarHBondContact O-N 3.1Å
556	A	98.6	Very high	97	Very high	17 Å²	17	41.4 Å²	41.4	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-40.1	176.2	0	0	0	0	0	112.3	M326 V329 T552 F553 C554 E558 Y559	M326-A556 HydrophobicContact CG-CB 3.64Å; M326-A556 HydrophobicContact SD-CB 4.07Å; V329-A556 WeakPolarHBondContact CG1-O 3.41Å; T552-A556 PolarHBondContact O-N 3.03Å; F553-A556 WeakPolarHBondContact O-CB 3.49Å; F553-A556 PolarHBondContact O-N 3.37Å; F553-A556 VanDerWaalsContact O-N 3.07Å; C554-A556 VanDerWaalsContact C-N 3.3Å; C554-A556 PolarHBondContact O-N 3.16Å; A556-E558 PolarHBondContact O-N 2.91Å; A556-Y559 WeakPolarHBondContact O-CB 3.41Å; A556-Y559 PolarHBondContact O-N 3.03Å; A556-Y559 VanDerWaalsContact O-N 3.13Å
557	L	98.7	Very high	97.5	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-33	174.3	-66.6	-174.9	0	0	0	112.5	P525 Q528 F553 C554 T555 Y559 G560 L561	P525-L557 HydrophobicContact CB-CB 3.82Å; Q528-L557 HydrophobicContact CB-CD1 3.81Å; Q528-L557 HydrophobicContact CG-CD1 3.73Å; F553-L557 HydrophobicContact CD1-CD1 4.39Å; F553-L557 HydrophobicContact CE1-CD1 3.71Å; F553-L557 HydrophobicContact CE1-CG 4.12Å; F553-L557 HydrophobicContact CE2-CD2 4.14Å; F553-L557 HydrophobicContact CE2-CG 4.28Å; F553-L557 HydrophobicContact CZ-CD1 3.88Å; F553-L557 HydrophobicContact CZ-CD2 3.85Å; F553-L557 HydrophobicContact CZ-CG 3.92Å; F553-L557 PolarHBondContact O-N 3.4Å; C554-L557 WeakPolarHBondContact O-CB 3.44Å; C554-L557 PolarHBondContact O-N 3.4Å; C554-L557 VanDerWaalsContact O-N 3.16Å; T555-L557 VanDerWaalsContact C-N 3.34Å; T555-L557 PolarHBondContact O-N 2.96Å; L557-Y559 VanDerWaalsContact C-N 3.27Å; L557-Y559 PolarHBondContact O-N 3.29Å; L557-G560 WeakPolarHBondContact O-CA 3.38Å; L557-G560 PolarHBondContact O-N 2.95Å; L557-L561 HydrophobicContact CD2-CB 3.64Å; L557-L561 HydrophobicContact CD2-CD2 3.52Å; L557-L561 HydrophobicContact CD2-CG 4.2Å
558	E	98.8	Very high	97.9	Very high	103 Å²	103	41.7 Å²	41.7	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-66.6	-25.2	176	-66.3	166.4	-179.8	0	0	113.2	P525 R529 C554 T555 A556 G560	P525-E558 HydrophobicContact CB-CG 3.61Å; P525-E558 HydrophobicContact CG-CG 3.84Å; R529-E558 IonicContact CZ-OE1 3Å; R529-E558 IonicContact NH1-OE1 3.37Å; R529-E558 PolarHBondContact NH1-OE1 3.37Å; R529-E558 VanDerWaalsContact NH1-OE1 3.12Å; R529-E558 IonicContact NH2-OE1 3.15Å; R529-E558 PolarHBondContact NH2-OE1 3.5Å; C554-E558 WeakPolarHBondContact O-CG 3.09Å; C554-E558 PolarHBondContact O-N 3.44Å; C554-E558 VanDerWaalsContact O-N 3.11Å; T555-E558 WeakPolarHBondContact O-CB 3.33Å; T555-E558 PolarHBondContact O-N 3.25Å; T555-E558 VanDerWaalsContact O-N 3.17Å; A556-E558 PolarHBondContact O-N 2.91Å; E558-G560 PolarHBondContact O-N 3.37Å
559	Y	98.8	Very high	98.3	Very high	191 Å²	191	38.6 Å²	38.6	75%	0.749	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.7	169.6	-79.4	-87.9	0	0	0	113.1	T555 A556 L557	T555-Y559 HydrophobicContact CG2-CE2 4.12Å; T555-Y559 WeakPolarHBondContact O-CD2 3.4Å; T555-Y559 PolarHBondContact O-N 3.1Å; A556-Y559 WeakPolarHBondContact O-CB 3.41Å; A556-Y559 PolarHBondContact O-N 3.03Å; A556-Y559 VanDerWaalsContact O-N 3.13Å; L557-Y559 VanDerWaalsContact C-N 3.27Å; L557-Y559 PolarHBondContact O-N 3.29Å
560	G	98.3	Very high	98.4	Very high	41 Å²	41	36.6 Å²	36.6	42%	0.423	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	97.8	173.3	0	0	0	0	0	112.9	L557 E558 P562	L557-G560 WeakPolarHBondContact O-CA 3.38Å; L557-G560 PolarHBondContact O-N 2.95Å; E558-G560 PolarHBondContact O-N 3.37Å; G560-P562 WeakPolarHBondContact O-CD 3.49Å
561	L	98.8	Very high	98.5	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-81.5	119.2	163.3	174.6	64.6	0	0	0	108.8	K325 V328 V329 E521 N523 L557	K325-L561 HydrophobicContact CB-CD2 4.28Å; K325-L561 HydrophobicContact CD-CD2 3.84Å; K325-L561 HydrophobicContact CG-CD2 4.08Å; V328-L561 HydrophobicContact CB-CD1 3.83Å; V328-L561 HydrophobicContact CG1-CD1 3.74Å; V329-L561 HydrophobicContact CG2-CB 3.7Å; V329-L561 HydrophobicContact CG2-CD1 4.03Å; V329-L561 HydrophobicContact CG2-CG 4.45Å; E521-L561 HydrophobicContact CB-CD2 4.43Å; N523-L561 HydrophobicContact CB-CB 3.94Å; N523-L561 HydrophobicContact CB-CD2 3.85Å; N523-L561 HydrophobicContact CB-CG 3.92Å; N523-L561 WeakPolarHBondContact CB-O 3.3Å; N523-L561 PolarHBondContact ND2-O 2.89Å; L557-L561 HydrophobicContact CD2-CB 3.64Å; L557-L561 HydrophobicContact CD2-CD2 3.52Å; L557-L561 HydrophobicContact CD2-CG 4.2Å
562	P	98.8	Very high	98.6	Very high	27 Å²	27	31.6 Å²	31.6	18%	0.175	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-54.2	157.5	171.8	-25.8	34.6	0	0	0	111.8	A363 Y364 G560 T564	A363-P562 HydrophobicContact CB-CB 4.48Å; Y364-P562 HydrophobicContact CE1-CB 4.03Å; G560-P562 WeakPolarHBondContact O-CD 3.49Å; P562-T564 WeakPolarHBondContact O-CB 3.34Å; P562-T564 PolarHBondContact O-N 2.99Å; P562-T564 PolarHBondContact O-OG1 3.38Å
563	P	98.9	Very high	98.7	Very high	72 Å²	72	28.8 Å²	28.8	47%	0.468	16%	0.162	S	C	.	.	S	Bend	trans	-50	119.7	165.9	-22.3	33	0	0	0	108.5	Y364	Y364-P563 VanDerWaalsContact CA-O 3.3Å; Y364-P563 WeakPolarHBondContact CA-O 3.39Å; Y364-P563 PolarHBondContact N-O 2.82Å
564	T	98.9	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.3	-169.5	-61.2	0	0	0	0	107.5	V328 Y361 M362 A365 E521 P562	V328-T564 HydrophobicContact CG1-CG2 4.39Å; Y361-T564 HydrophobicContact CD1-CG2 4.42Å; M362-T564 WeakPolarHBondContact O-CA 3.44Å; A365-T564 CarbonylContact O-C 3.6Å; E521-T564 WeakPolarHBondContact CB-O 3.38Å; E521-T564 HydrophobicContact CG-CG2 3.99Å; E521-T564 PolarHBondContact N-O 2.98Å; P562-T564 WeakPolarHBondContact O-CB 3.34Å; P562-T564 PolarHBondContact O-N 2.99Å; P562-T564 PolarHBondContact O-OG1 3.38Å
565	A	98.9	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.4	166.6	0	0	0	0	0	109.7	M362 A365 L370 Y519	M362-A565 PolarHBondContact N-O 2.98Å; M362-A565 PolarHBondContact O-N 3.39Å; M362-A565 VanDerWaalsContact O-N 3.11Å; A365-A565 HydrophobicContact CB-CB 4.1Å; A365-A565 WeakPolarHBondContact O-CB 3.32Å; A365-A565 PolarHBondContact O-N 2.81Å; L370-A565 HydrophobicContact CD1-CB 3.39Å; L370-A565 HydrophobicContact CD2-CB 4.27Å; L370-A565 HydrophobicContact CG-CB 3.65Å; Y519-A565 WeakPolarHBondContact O-CA 3.33Å
566	G	98.8	Very high	98.6	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	154	179.2	0	0	0	0	0	111.7	F360 L370 A518 Y519 E521	F360-G566 WeakPolarHBondContact O-CA 3.47Å; L370-G566 WeakPolarHBondContact CD1-O 3.18Å; A518-G566 VanDerWaalsContact CA-O 3.24Å; A518-G566 WeakPolarHBondContact CA-O 3.42Å; A518-G566 VanDerWaalsContact CB-O 3.31Å; A518-G566 WeakPolarHBondContact CB-O 3.47Å; Y519-G566 PolarHBondContact N-O 3Å; Y519-G566 PolarHBondContact O-N 3.27Å; E521-G566 WeakPolarHBondContact OE1-CA 3.4Å; E521-G566 PolarHBondContact OE1-N 3.39Å
567	W	98.9	Very high	98.6	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.011	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	139	-174.9	-176.9	101.2	0	0	0	110.2	C358 E359 F360 L370 T374 L377 C516 A518 M569	C358-W567 HydrophobicContact CB-CZ3 4.21Å; C358-W567 WeakPolarHBondContact O-CZ3 3.31Å; E359-W567 CarbonylContact C-O 3.5Å; E359-W567 WeakPolarHBondContact CA-O 3.44Å; F360-W567 HydrophobicContact CD1-CB 3.99Å; F360-W567 AromaticContact CD1-CD2 3.92Å; F360-W567 HydrophobicContact CD1-CD2 3.92Å; F360-W567 AromaticContact CD1-CE3 3.42Å; F360-W567 HydrophobicContact CD1-CE3 3.42Å; F360-W567 VanDerWaalsContact CD1-CE3 3.42Å; F360-W567 HydrophobicContact CD1-CG 4.19Å; F360-W567 AromaticContact CD1-CZ3 3.99Å; F360-W567 HydrophobicContact CD1-CZ3 3.99Å; F360-W567 HydrophobicContact CD2-CB 4.22Å; F360-W567 HydrophobicContact CE1-CB 3.58Å; F360-W567 AromaticContact CE1-CD2 3.34Å; F360-W567 HydrophobicContact CE1-CD2 3.34Å; F360-W567 AromaticContact CE1-CE3 3.32Å; F360-W567 HydrophobicContact CE1-CE3 3.32Å; F360-W567 AromaticContact CE1-CG 3.49Å; F360-W567 HydrophobicContact CE1-CG 3.49Å; F360-W567 VanDerWaalsContact CE1-CG 3.49Å; F360-W567 HydrophobicContact CE1-CH2 4.48Å; F360-W567 AromaticContact CE1-CZ3 3.94Å; F360-W567 HydrophobicContact CE1-CZ3 3.94Å; F360-W567 HydrophobicContact CE2-CB 3.84Å; F360-W567 HydrophobicContact CE2-CG 4.48Å; F360-W567 HydrophobicContact CG-CB 4.29Å; F360-W567 HydrophobicContact CZ-CB 3.49Å; F360-W567 VanDerWaalsContact CZ-CB 3.49Å; F360-W567 HydrophobicContact CZ-CD2 4.02Å; F360-W567 HydrophobicContact CZ-CE3 4.37Å; F360-W567 AromaticContact CZ-CG 3.66Å; F360-W567 HydrophobicContact CZ-CG 3.66Å; F360-W567 PolarHBondContact N-O 3.48Å; F360-W567 PolarHBondContact O-N 3.17Å; L370-W567 HydrophobicContact CD1-CB 4.15Å; T374-W567 PolarHBondContact OG1-NE1 3.19Å; L377-W567 HydrophobicContact CD2-CH2 3.99Å; L377-W567 HydrophobicContact CD2-CZ2 4.14Å; C516-W567 HydrophobicContact CB-CZ2 4.25Å; C516-W567 WeakPolarHBondContact SG-CZ2 3.39Å; A518-W567 HydrophobicContact CB-CB 4.08Å; A518-W567 HydrophobicContact CB-CG 4.08Å; W567-M569 HydrophobicContact CE3-CB 4.15Å; W567-M569 HydrophobicContact CH2-CB 3.01Å; W567-M569 HydrophobicContact CH2-CE 3.83Å; W567-M569 HydrophobicContact CH2-CG 3.82Å; W567-M569 HydrophobicContact CH2-SD 3.55Å; W567-M569 VanDerWaalsContact CH2-SD 3.55Å; W567-M569 HydrophobicContact CZ2-CB 3.53Å; W567-M569 HydrophobicContact CZ2-CG 4.21Å; W567-M569 HydrophobicContact CZ2-SD 3.88Å; W567-M569 HydrophobicContact CZ3-CB 3.34Å
568	G	98.7	Very high	98.6	Very high	15 Å²	15	26.1 Å²	26.1	16%	0.155	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.3	172.7	0	0	0	0	0	112.3	C358 C516 N517	C358-G568 CarbonylContact O-C 3.57Å; C358-G568 VanDerWaalsContact O-CA 3.32Å; C358-G568 WeakPolarHBondContact O-CA 3.21Å; C516-G568 CarbonylContact C-O 3.6Å; C516-G568 WeakPolarHBondContact CA-O 3.37Å; N517-G568 PolarHBondContact N-O 3Å; N517-G568 PolarHBondContact O-N 3.49Å
569	M	98.8	Very high	98.6	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.5	175.7	176.5	176.9	79.7	0	0	113.6	L274 T357 C358 L378 I515 W567 I571 L574	L274-M569 HydrophobicContact CD1-CE 3.54Å; L274-M569 HydrophobicContact CD2-CE 3.63Å; L274-M569 HydrophobicContact CG-CE 4.11Å; T357-M569 CarbonylContact C-O 3.51Å; T357-M569 WeakPolarHBondContact CA-O 3.38Å; C358-M569 PolarHBondContact N-O 2.8Å; C358-M569 PolarHBondContact O-N 2.8Å; L378-M569 HydrophobicContact CD2-SD 3.79Å; I515-M569 CarbonylContact O-C 3.5Å; I515-M569 VanDerWaalsContact O-CA 3.24Å; I515-M569 WeakPolarHBondContact O-CA 3.26Å; I515-M569 VanDerWaalsContact O-CG 3.24Å; I515-M569 WeakPolarHBondContact O-CG 3.32Å; W567-M569 HydrophobicContact CE3-CB 4.15Å; W567-M569 HydrophobicContact CH2-CB 3.01Å; W567-M569 HydrophobicContact CH2-CE 3.83Å; W567-M569 HydrophobicContact CH2-CG 3.82Å; W567-M569 HydrophobicContact CH2-SD 3.55Å; W567-M569 VanDerWaalsContact CH2-SD 3.55Å; W567-M569 HydrophobicContact CZ2-CB 3.53Å; W567-M569 HydrophobicContact CZ2-CG 4.21Å; W567-M569 HydrophobicContact CZ2-SD 3.88Å; W567-M569 HydrophobicContact CZ3-CB 3.34Å; M569-I571 HydrophobicContact CE-CD1 3.55Å; M569-I571 PolarHBondContact O-N 3.33Å; M569-L574 HydrophobicContact CE-CD2 3.65Å; M569-L574 HydrophobicContact SD-CD2 3.79Å
570	G	98.3	Very high	98.5	Very high	17 Å²	17	15.9 Å²	15.9	18%	0.175	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	104	172.7	0	0	0	0	0	112.2	I515 D572 R573 L574	I515-G570 PolarHBondContact O-N 3.43Å; G570-D572 VanDerWaalsContact C-N 3.29Å; G570-D572 PolarHBondContact O-N 3.27Å; G570-R573 PolarHBondContact O-N 3.49Å; G570-L574 PolarHBondContact O-N 2.97Å; G570-L574 VanDerWaalsContact O-N 3.17Å
571	I	98.8	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.4	-36.7	-178.2	-55.5	-51.1	0	0	0	111.4	I270 I271 L274 T356 C358 M569 L574 T575	I270-I571 HydrophobicContact CG2-CG2 4.25Å; I271-I571 HydrophobicContact CD1-CG2 4.28Å; I271-I571 HydrophobicContact CG1-CG2 3.9Å; L274-I571 HydrophobicContact CD1-CD1 3.38Å; T356-I571 HydrophobicContact CG2-CB 4.2Å; T356-I571 HydrophobicContact CG2-CG1 3.93Å; T356-I571 WeakPolarHBondContact O-CB 3.3Å; T356-I571 WeakPolarHBondContact O-CG1 3.49Å; T356-I571 PolarHBondContact O-N 3.28Å; C358-I571 HydrophobicContact CB-CD1 3.88Å; M569-I571 HydrophobicContact CE-CD1 3.55Å; M569-I571 PolarHBondContact O-N 3.33Å; I571-L574 PolarHBondContact O-N 2.81Å; I571-T575 WeakPolarHBondContact O-CB 3.47Å; I571-T575 PolarHBondContact O-N 2.86Å; I571-T575 PolarHBondContact O-OG1 3.29Å
572	D	98.6	Very high	98.4	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-47.1	179.3	-57.3	-77.3	0	0	0	111.7	R267 T356 G570 T575 M576 I584 V587 L588	R267-D572 IonicContact CZ-OD1 2.71Å; R267-D572 IonicContact NH1-OD1 3.5Å; R267-D572 PolarHBondContact NH1-OD1 3.25Å; R267-D572 IonicContact NH2-OD1 3.79Å; R267-D572 PolarHBondContact NH2-OD1 3.12Å; R267-D572 IonicContact NH2-OD2 2.72Å; T356-D572 PolarHBondContact N-OD2 2.8Å; G570-D572 VanDerWaalsContact C-N 3.29Å; G570-D572 PolarHBondContact O-N 3.27Å; D572-T575 WeakPolarHBondContact O-CB 3.39Å; D572-T575 PolarHBondContact O-N 2.99Å; D572-M576 WeakPolarHBondContact O-CG 3.49Å; D572-M576 PolarHBondContact O-N 3.45Å; D572-I584 HydrophobicContact CB-CD1 3.75Å; D572-I584 HydrophobicContact CB-CG1 4Å; D572-V587 HydrophobicContact CB-CG2 4.45Å; D572-L588 VanDerWaalsContact OD1-CD2 3.27Å; D572-L588 WeakPolarHBondContact OD1-CD2 3.45Å
573	R	98.1	Very high	98.4	Very high	43 Å²	43	15.4 Å²	15.4	16%	0.162	9%	0.091	C	C	.	.	H	α-helix	trans	-64.9	-42.9	178	-67.8	-175.5	-177.3	165.1	0.8	111.6	H351 E514 I515 G570 T575 M576 F577	H351-R573 PolarHBondContact NE2-NH2 2.89Å; E514-R573 WeakPolarHBondContact O-CD 3.44Å; E514-R573 PolarHBondContact O-NH1 2.91Å; E514-R573 IonicContact OE2-NH1 2.8Å; E514-R573 PolarHBondContact OE2-NH1 2.6Å; I515-R573 HydrophobicContact CG2-CB 4.21Å; G570-R573 PolarHBondContact O-N 3.49Å; R573-T575 VanDerWaalsContact C-N 3.31Å; R573-T575 PolarHBondContact O-N 3.15Å; R573-M576 VanDerWaalsContact O-CB 3.29Å; R573-M576 WeakPolarHBondContact O-CB 3.45Å; R573-M576 PolarHBondContact O-N 2.91Å; R573-M576 VanDerWaalsContact O-N 3.14Å; R573-F577 HydrophobicContact CB-CE2 4.47Å; R573-F577 WeakPolarHBondContact O-CD2 3.39Å; R573-F577 PolarHBondContact O-N 3.22Å
574	L	98	Very high	98.3	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-61	-42.4	174.3	-179.2	61.1	0	0	0	111.8	I270 L378 M381 M569 G570 I571 M576 F577 L578	I270-L574 HydrophobicContact CD1-CG 4.45Å; I270-L574 HydrophobicContact CG2-CD2 3.92Å; L378-L574 HydrophobicContact CD2-CD1 4.44Å; L378-L574 HydrophobicContact CD2-CD2 4.05Å; M381-L574 HydrophobicContact CE-CD2 4.26Å; M381-L574 HydrophobicContact SD-CD2 3.67Å; M569-L574 HydrophobicContact CE-CD2 3.65Å; M569-L574 HydrophobicContact SD-CD2 3.79Å; G570-L574 PolarHBondContact O-N 2.97Å; G570-L574 VanDerWaalsContact O-N 3.17Å; I571-L574 PolarHBondContact O-N 2.81Å; L574-M576 VanDerWaalsContact C-N 3.28Å; L574-M576 PolarHBondContact O-N 2.82Å; L574-F577 PolarHBondContact O-N 3.22Å; L574-L578 HydrophobicContact CD1-CG 4.22Å; L574-L578 HydrophobicContact CG-CD1 4.26Å; L574-L578 PolarHBondContact O-N 3.42Å; L574-L578 VanDerWaalsContact O-N 3.08Å; L574-L578 HydrophobicContact CD1-CD1 4.19Å
575	T	98.7	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61	-39.2	175.8	-53	0	0	0	0	111.1	R267 I270 I571 D572 R573 F577 L578 T579 V587	R267-T575 HydrophobicContact CB-CG2 3.7Å; R267-T575 HydrophobicContact CG-CG2 4.04Å; I270-T575 HydrophobicContact CD1-CG2 4.29Å; I571-T575 WeakPolarHBondContact O-CB 3.47Å; I571-T575 PolarHBondContact O-N 2.86Å; I571-T575 PolarHBondContact O-OG1 3.29Å; D572-T575 WeakPolarHBondContact O-CB 3.39Å; D572-T575 PolarHBondContact O-N 2.99Å; R573-T575 VanDerWaalsContact C-N 3.31Å; R573-T575 PolarHBondContact O-N 3.15Å; T575-F577 VanDerWaalsContact C-N 3.34Å; T575-F577 PolarHBondContact O-N 3.14Å; T575-L578 PolarHBondContact O-N 3.33Å; T575-T579 HydrophobicContact CG2-CG2 4.06Å; T575-T579 PolarHBondContact O-OG1 2.9Å; T575-T579 PolarHBondContact O-N 3.2Å; T575-T579 WeakPolarHBondContact O-CG2 3.47Å; T575-T579 WeakPolarHBondContact O-CB 3.33Å; T575-V587 HydrophobicContact CG2-CB 3.75Å; T575-V587 HydrophobicContact CG2-CG1 3.58Å
576	M	98.6	Very high	98.3	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-56.3	-47	175.8	-75.4	171	64.7	0	0	111.7	T350 D572 R573 L574 T579 D580 S581 I584 V587	T350-M576 HydrophobicContact CG2-CE 4.1Å; D572-M576 WeakPolarHBondContact O-CG 3.49Å; D572-M576 PolarHBondContact O-N 3.45Å; R573-M576 VanDerWaalsContact O-CB 3.29Å; R573-M576 WeakPolarHBondContact O-CB 3.45Å; R573-M576 PolarHBondContact O-N 2.91Å; R573-M576 VanDerWaalsContact O-N 3.14Å; L574-M576 VanDerWaalsContact C-N 3.28Å; L574-M576 PolarHBondContact O-N 2.82Å; M576-T579 PolarHBondContact O-N 3.15Å; M576-D580 VanDerWaalsContact O-N 3.12Å; M576-D580 PolarHBondContact O-N 2.91Å; M576-S581 VanDerWaalsContact CB-O 3.3Å; M576-S581 WeakPolarHBondContact CB-O 3.43Å; M576-S581 WeakPolarHBondContact CE-O 3.36Å; M576-S581 PolarHBondContact O-N 2.71Å; M576-I584 VanDerWaalsContact SD-CA 3.54Å; M576-I584 HydrophobicContact SD-CB 3.73Å; M576-I584 HydrophobicContact SD-CG1 4.12Å; M576-V587 HydrophobicContact CG-CG1 4.18Å; M576-V587 HydrophobicContact CG-CG2 3.76Å
577	F	98	Very high	98.3	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.018	8%	0.076	C	C	.	.	H	α-helix	trans	-67.7	-41.9	179.3	-59.7	-48	0	0	0	113.2	Y393 V510 M511 K513 I515 R573 L574 T575 T579 D580	Y393-F577 HydrophobicContact CD2-CD1 4.02Å; Y393-F577 HydrophobicContact CE1-CD1 4.27Å; Y393-F577 HydrophobicContact CE1-CE1 4.22Å; Y393-F577 AromaticContact CE2-CD1 3.68Å; Y393-F577 HydrophobicContact CE2-CD1 3.68Å; Y393-F577 HydrophobicContact CE2-CE1 4.23Å; Y393-F577 HydrophobicContact CG-CD1 4.47Å; Y393-F577 AromaticContact CZ-CD1 3.8Å; Y393-F577 AromaticContact CZ-CE1 3.87Å; V510-F577 HydrophobicContact CB-CD2 4.21Å; V510-F577 HydrophobicContact CB-CE2 4.16Å; V510-F577 HydrophobicContact CG1-CD2 4Å; V510-F577 HydrophobicContact CG1-CE2 4.31Å; V510-F577 HydrophobicContact CG1-CG 4.2Å; V510-F577 WeakPolarHBondContact O-CZ 3.45Å; M511-F577 HydrophobicContact CB-CD1 4.19Å; M511-F577 HydrophobicContact CB-CE1 3.78Å; M511-F577 HydrophobicContact CB-CZ 4.33Å; M511-F577 HydrophobicContact CG-CE1 4.48Å; K513-F577 HydrophobicContact CB-CE2 4.47Å; K513-F577 HydrophobicContact CB-CZ 3.86Å; K513-F577 HydrophobicContact CG-CZ 4.07Å; I515-F577 HydrophobicContact CG2-CD2 3.93Å; I515-F577 HydrophobicContact CG2-CE2 3.48Å; I515-F577 VanDerWaalsContact CG2-CE2 3.48Å; R573-F577 HydrophobicContact CB-CE2 4.47Å; R573-F577 WeakPolarHBondContact O-CD2 3.39Å; R573-F577 PolarHBondContact O-N 3.22Å; L574-F577 PolarHBondContact O-N 3.22Å; T575-F577 VanDerWaalsContact C-N 3.34Å; T575-F577 PolarHBondContact O-N 3.14Å; F577-T579 PolarHBondContact O-N 3.29Å; F577-D580 PolarHBondContact O-N 2.99Å
578	L	98.1	Very high	98.3	Very high	17 Å²	17	14.4 Å²	14.4	9%	0.089	8%	0.08	C	C	.	.	H	α-helix	trans	-78.1	-3.9	-179.4	-58.5	-172.7	0	0	0	114.2	T266 I270 V382 I385 V391 L574 T575	T266-L578 HydrophobicContact CG2-CB 4.18Å; I270-L578 HydrophobicContact CD1-CB 4.43Å; I270-L578 HydrophobicContact CD1-CD1 3.88Å; I270-L578 HydrophobicContact CG1-CD1 4.02Å; V382-L578 HydrophobicContact CG1-CD2 4.34Å; V382-L578 HydrophobicContact CG2-CD1 4.39Å; V382-L578 HydrophobicContact CG2-CD2 3.8Å; I385-L578 HydrophobicContact CD1-CD1 4.43Å; V391-L578 HydrophobicContact CG2-CD2 4.26Å; L574-L578 HydrophobicContact CD1-CG 4.22Å; L574-L578 HydrophobicContact CG-CD1 4.26Å; L574-L578 PolarHBondContact O-N 3.42Å; L574-L578 VanDerWaalsContact O-N 3.08Å; L574-L578 HydrophobicContact CD1-CD1 4.19Å; T575-L578 PolarHBondContact O-N 3.33Å
579	T	98.2	Very high	98.2	Very high	20 Å²	20	17.6 Å²	17.6	12%	0.123	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	14.1	177.9	64.8	0	0	0	0	112.9	K263 T266 T575 M576 F577 S581	K263-T579 HydrophobicContact CB-CG2 4.1Å; K263-T579 HydrophobicContact CG-CG2 4.31Å; T266-T579 HydrophobicContact CG2-CG2 3.68Å; T575-T579 HydrophobicContact CG2-CG2 4.06Å; T575-T579 PolarHBondContact O-OG1 2.9Å; T575-T579 PolarHBondContact O-N 3.2Å; T575-T579 WeakPolarHBondContact O-CG2 3.47Å; T575-T579 WeakPolarHBondContact O-CB 3.33Å; M576-T579 PolarHBondContact O-N 3.15Å; F577-T579 PolarHBondContact O-N 3.29Å; T579-S581 VanDerWaalsContact C-N 3.3Å; T579-S581 PolarHBondContact O-N 3.07Å; T579-S581 PolarHBondContact O-OG 3.4Å; T579-S581 PolarHBondContact OG1-OG 3.06Å
580	D	98.3	Very high	98.2	Very high	58 Å²	58	24.3 Å²	24.3	31%	0.31	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	51.8	179.3	-167.5	21.9	0	0	0	112.7	Y393 H394 M576 F577	Y393-D580 WeakPolarHBondContact CA-OD1 3.43Å; H394-D580 IonicContact CE1-OD2 3.96Å; H394-D580 PolarHBondContact CE1-OD2 3.12Å; H394-D580 IonicContact CG-OD1 3.83Å; H394-D580 IonicContact CG-OD2 3.11Å; H394-D580 PolarHBondContact N-OD1 3.11Å; H394-D580 IonicContact ND1-OD1 2.67Å; H394-D580 PolarHBondContact ND1-OD1 3.08Å; H394-D580 IonicContact ND1-OD2 2.96Å; H394-D580 PolarHBondContact ND1-OD2 2.76Å; M576-D580 VanDerWaalsContact O-N 3.12Å; M576-D580 PolarHBondContact O-N 2.91Å; F577-D580 PolarHBondContact O-N 2.99Å
581	S	98	Very high	98.2	Very high	2 Å²	2	24 Å²	24	1%	0.014	12%	0.118	C	C	.	.			trans	-117.1	119.6	-177.8	-62.1	0	0	0	0	110.3	K263 Y393 M576 T579 N583	K263-S581 WeakPolarHBondContact CE-OG 3.16Å; K263-S581 PolarHBondContact NZ-OG 3.06Å; Y393-S581 PolarHBondContact OH-O 2.89Å; Y393-S581 VanDerWaalsContact OH-O 3.11Å; M576-S581 VanDerWaalsContact CB-O 3.3Å; M576-S581 WeakPolarHBondContact CB-O 3.43Å; M576-S581 WeakPolarHBondContact CE-O 3.36Å; M576-S581 PolarHBondContact O-N 2.71Å; T579-S581 VanDerWaalsContact C-N 3.3Å; T579-S581 PolarHBondContact O-N 3.07Å; T579-S581 PolarHBondContact O-OG 3.4Å; T579-S581 PolarHBondContact OG1-OG 3.06Å; S581-N583 VanDerWaalsContact C-N 3.32Å
582	N	96.8	Very high	98	Very high	42 Å²	42	25.6 Å²	25.6	23%	0.225	13%	0.131	C	C	.	.	S	Bend	trans	-90.1	6.2	175.9	70	-16.1	0	0	0	114.2	Y393 P395 G397	Y393-N582 WeakPolarHBondContact OH-CA 3.41Å; P395-N582 WeakPolarHBondContact O-CB 3.5Å; P395-N582 PolarHBondContact O-ND2 3.24Å; G397-N582 PolarHBondContact N-ND2 3Å
583	N	97.7	Very high	97.8	Very high	19 Å²	19	28 Å²	28	10%	0.102	14%	0.143	C	C	.	.	S	Bend	trans	-137.9	126	177	-172.1	-37.9	0	0	0	109.9	L349 S581 K585 E586	L349-N583 HydrophobicContact CD2-CB 4.15Å; L349-N583 WeakPolarHBondContact CD2-ND2 3.3Å; L349-N583 CarbonylContact O-C 3.38Å; L349-N583 WeakPolarHBondContact O-CA 3.32Å; S581-N583 VanDerWaalsContact C-N 3.32Å; N583-K585 PolarHBondContact OD1-N 3.16Å; N583-K585 WeakPolarHBondContact OD1-CG 3.44Å; N583-K585 VanDerWaalsContact OD1-CG 3.24Å; N583-K585 VanDerWaalsContact OD1-CB 3.26Å; N583-K585 VanDerWaalsContact O-N 3.08Å; N583-K585 PolarHBondContact O-N 2.98Å; N583-K585 WeakPolarHBondContact OD1-CB 3.39Å; N583-E586 WeakPolarHBondContact O-CB 3.42Å; N583-E586 PolarHBondContact O-N 3.15Å
584	I	98.3	Very high	97.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-55.9	-27	-180	-166.3	168.7	0	0	0	113	L349 T350 N352 D572 M576 E586 V587 L588	L349-I584 WeakPolarHBondContact O-CB 3.36Å; L349-I584 PolarHBondContact O-N 3.37Å; T350-I584 WeakPolarHBondContact O-CD1 3.44Å; N352-I584 HydrophobicContact CB-CD1 4.2Å; N352-I584 HydrophobicContact CB-CG2 4.47Å; D572-I584 HydrophobicContact CB-CD1 3.75Å; D572-I584 HydrophobicContact CB-CG1 4Å; M576-I584 VanDerWaalsContact SD-CA 3.54Å; M576-I584 HydrophobicContact SD-CB 3.73Å; M576-I584 HydrophobicContact SD-CG1 4.12Å; I584-E586 PolarHBondContact O-N 2.92Å; I584-E586 VanDerWaalsContact O-N 3.16Å; I584-V587 WeakPolarHBondContact O-CG2 3.47Å; I584-V587 PolarHBondContact O-N 3.25Å; I584-V587 HydrophobicContact CG1-CG2 4.19Å; I584-L588 HydrophobicContact CD1-CD1 4.47Å; I584-L588 HydrophobicContact CG1-CD1 4.03Å; I584-L588 HydrophobicContact CG1-CG 4.32Å; I584-L588 PolarHBondContact O-N 2.85Å
585	K	98.1	Very high	97.1	Very high	22 Å²	22	39.6 Å²	39.6	10%	0.096	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-64.2	-18.5	176.8	-60.3	-169.6	-171.3	-55.7	0	113.7	F247 R250 N583 V587 P591 A592 M593	F247-K585 HydrophobicContact CD1-CB 4.18Å; F247-K585 HydrophobicContact CD2-CB 3.82Å; F247-K585 HydrophobicContact CD2-CD 3.71Å; F247-K585 HydrophobicContact CD2-CG 4.39Å; F247-K585 HydrophobicContact CE1-CB 3.9Å; F247-K585 WeakPolarHBondContact CE1-O 3.23Å; F247-K585 HydrophobicContact CE2-CB 3.51Å; F247-K585 HydrophobicContact CE2-CD 3.81Å; F247-K585 HydrophobicContact CE2-CG 4.27Å; F247-K585 HydrophobicContact CG-CB 4.15Å; F247-K585 HydrophobicContact CZ-CB 3.56Å; R250-K585 PolarHBondContact NH2-O 3.23Å; N583-K585 PolarHBondContact OD1-N 3.16Å; N583-K585 WeakPolarHBondContact OD1-CG 3.44Å; N583-K585 VanDerWaalsContact OD1-CG 3.24Å; N583-K585 VanDerWaalsContact OD1-CB 3.26Å; N583-K585 VanDerWaalsContact O-N 3.08Å; N583-K585 PolarHBondContact O-N 2.98Å; N583-K585 WeakPolarHBondContact OD1-CB 3.39Å; K585-V587 VanDerWaalsContact C-N 3.31Å; K585-P591 HydrophobicContact CG-CG 4.05Å; K585-P591 HydrophobicContact CG-CB 3.65Å; K585-P591 HydrophobicContact CD-CG 4.29Å; K585-P591 HydrophobicContact CB-CG 3.9Å; K585-P591 HydrophobicContact CB-CB 3.91Å; K585-P591 HydrophobicContact CD-CB 4.15Å; K585-A592 PolarHBondContact NZ-O 3.01Å; K585-M593 HydrophobicContact CD-SD 3.92Å
586	E	98.3	Very high	96.3	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.065	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-74.2	-22.8	173.7	-69	-69.3	135.9	0	0	112.9	R246 F247 K263 N583 I584	R246-E586 IonicContact CZ-OE1 3.66Å; R246-E586 IonicContact CZ-OE2 3.49Å; R246-E586 IonicContact NH1-OE1 3.61Å; R246-E586 PolarHBondContact NH1-OE1 3.04Å; R246-E586 IonicContact NH1-OE2 2.68Å; R246-E586 IonicContact NH2-OE1 3.83Å; R246-E586 PolarHBondContact NH2-OE1 3.31Å; R246-E586 VanDerWaalsContact NH2-OE1 3.11Å; R246-E586 IonicContact NH2-OE2 3.19Å; R246-E586 PolarHBondContact NH2-OE2 3.45Å; F247-E586 VanDerWaalsContact CE1-OE1 3.29Å; F247-E586 WeakPolarHBondContact CE1-OE1 3.45Å; F247-E586 WeakPolarHBondContact CZ-OE1 3.49Å; K263-E586 HydrophobicContact CD-CB 4.34Å; K263-E586 IonicContact NZ-OE2 2.74Å; K263-E586 PolarHBondContact NZ-OE2 3.08Å; N583-E586 WeakPolarHBondContact O-CB 3.42Å; N583-E586 PolarHBondContact O-N 3.15Å; I584-E586 PolarHBondContact O-N 2.92Å; I584-E586 VanDerWaalsContact O-N 3.16Å
587	V	98.6	Very high	94.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	3.9	-175.3	-58.4	0	0	0	0	113.4	F264 R267 D572 T575 M576 I584 K585	F264-V587 WeakPolarHBondContact CE1-O 3.46Å; R267-V587 PolarHBondContact NH1-O 2.64Å; D572-V587 HydrophobicContact CB-CG2 4.45Å; T575-V587 HydrophobicContact CG2-CB 3.75Å; T575-V587 HydrophobicContact CG2-CG1 3.58Å; M576-V587 HydrophobicContact CG-CG1 4.18Å; M576-V587 HydrophobicContact CG-CG2 3.76Å; I584-V587 WeakPolarHBondContact O-CG2 3.47Å; I584-V587 PolarHBondContact O-N 3.25Å; I584-V587 HydrophobicContact CG1-CG2 4.19Å; K585-V587 VanDerWaalsContact C-N 3.31Å
588	L	98.6	Very high	92.6	Very high	18 Å²	18	58.3 Å²	58.3	9%	0.094	31%	0.306	C	S	.	.			trans	-107.8	127.1	170.5	-66.3	173.7	0	0	0	109.5	R250 N352 D572 I584 F590 P591	R250-L588 PolarHBondContact NH2-O 3.48Å; N352-L588 HydrophobicContact CB-CD1 3.65Å; N352-L588 VanDerWaalsContact CG-CD1 3.44Å; D572-L588 VanDerWaalsContact OD1-CD2 3.27Å; D572-L588 WeakPolarHBondContact OD1-CD2 3.45Å; I584-L588 HydrophobicContact CD1-CD1 4.47Å; I584-L588 HydrophobicContact CG1-CD1 4.03Å; I584-L588 HydrophobicContact CG1-CG 4.32Å; I584-L588 PolarHBondContact O-N 2.85Å; L588-F590 VanDerWaalsContact C-N 3.31Å; L588-F590 PolarHBondContact O-N 3.02Å; L588-P591 HydrophobicContact CB-CB 4.07Å; L588-P591 HydrophobicContact CD1-CB 4.2Å
589	L	98.4	Very high	90	Very high	82 Å²	82	65.7 Å²	65.7	43%	0.429	34%	0.337	S	S	.	.	S	Bend	trans	-59.4	-46.7	179.7	-78.6	167.3	0	0	0	110.6	R250 F264	R250-L589 VanDerWaalsContact CB-O 3.32Å; R250-L589 WeakPolarHBondContact CB-O 3.47Å; R250-L589 HydrophobicContact CG-CD2 4.36Å; R250-L589 WeakPolarHBondContact CG-O 3.49Å; R250-L589 PolarHBondContact NE-O 3.45Å; F264-L589 HydrophobicContact CD1-CD2 3.81Å; F264-L589 HydrophobicContact CD1-CG 3.79Å; F264-L589 HydrophobicContact CD2-CD2 3.7Å; F264-L589 HydrophobicContact CE1-CB 4.26Å; F264-L589 HydrophobicContact CE1-CD2 3.77Å; F264-L589 HydrophobicContact CE1-CG 3.61Å; F264-L589 HydrophobicContact CE2-CD2 3.66Å; F264-L589 HydrophobicContact CE2-CG 4.41Å; F264-L589 HydrophobicContact CG-CD2 3.8Å; F264-L589 HydrophobicContact CG-CG 4.28Å; F264-L589 HydrophobicContact CZ-CB 4.4Å; F264-L589 HydrophobicContact CZ-CD2 3.71Å; F264-L589 HydrophobicContact CZ-CG 3.96Å
590	F	98.1	Very high	87	Confident	143 Å²	143	74.7 Å²	74.7	63%	0.627	38%	0.375	S	S	*	.	S	Bend	trans	-130.1	82.8	178.8	-57.3	-78.3	0	0	0	108.7	R250 L588	R250-F590 HydrophobicContact CB-CD1 4.13Å; R250-F590 HydrophobicContact CB-CE1 3.76Å; R250-F590 HydrophobicContact CB-CZ 4.37Å; L588-F590 VanDerWaalsContact C-N 3.31Å; L588-F590 PolarHBondContact O-N 3.02Å
591	P	97.6	Very high	84.2	Confident	10 Å²	10	77 Å²	77	7%	0.065	40%	0.396	C	S	.	.			trans	-67.4	154.3	178.4	29.7	-34.2	0	0	0	110.7	F247 K585 L588 M593	F247-P591 HydrophobicContact CB-CG 3.83Å; F247-P591 HydrophobicContact CD1-CG 4.46Å; F247-P591 HydrophobicContact CG-CG 4.11Å; K585-P591 HydrophobicContact CG-CG 4.05Å; K585-P591 HydrophobicContact CG-CB 3.65Å; K585-P591 HydrophobicContact CD-CG 4.29Å; K585-P591 HydrophobicContact CB-CG 3.9Å; K585-P591 HydrophobicContact CB-CB 3.91Å; K585-P591 HydrophobicContact CD-CB 4.15Å; L588-P591 HydrophobicContact CB-CB 4.07Å; L588-P591 HydrophobicContact CD1-CB 4.2Å; P591-M593 HydrophobicContact CG-SD 4.41Å; P591-M593 PolarHBondContact O-N 2.49Å
592	A	95.6	Very high	81.3	Confident	34 Å²	34	81 Å²	81	28%	0.281	43%	0.428	S	S	.	.			trans	-64.3	132.2	171.6	0	0	0	0	0	109.9	I347 N352 P353 K585	I347-A592 HydrophobicContact CD1-CB 3.85Å; N352-A592 PolarHBondContact OD1-N 3.01Å; N352-A592 VanDerWaalsContact OD1-N 3.11Å; P353-A592 HydrophobicContact CG-CB 4.14Å; K585-A592 PolarHBondContact NZ-O 3.01Å
593	M	94.5	Very high	78.6	Confident	55 Å²	55	84.6 Å²	84.6	27%	0.271	45%	0.454	S	S	.	.			trans	-129.5	144.6	-179.3	-62.8	-62.8	-72	0	0	109.1	E244 F247 R248 K585 P591	E244-M593 HydrophobicContact CG-CE 4.41Å; F247-M593 HydrophobicContact CB-CE 4.18Å; F247-M593 HydrophobicContact CB-SD 3.94Å; F247-M593 HydrophobicContact CD2-CE 4.36Å; F247-M593 HydrophobicContact CD2-SD 4.26Å; R248-M593 HydrophobicContact CG-CE 4.49Å; R248-M593 HydrophobicContact CG-CG 4.4Å; K585-M593 HydrophobicContact CD-SD 3.92Å; P591-M593 HydrophobicContact CG-SD 4.41Å; P591-M593 PolarHBondContact O-N 2.49Å
594	K	90.1	Very high	75.9	Confident	174 Å²	174	88.9 Å²	88.9	76%	0.757	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-59.6	140.6	169.5	-68.8	-174.8	178	-178.2	0	109.3	R248	R248-K594 VanDerWaalsContact CZ-O 3.27Å; R248-K594 PolarHBondContact NH1-O 3.39Å; R248-K594 PolarHBondContact NH2-O 3.15Å
595	P	90.5	Very high	73	Confident	112 Å²	112	98 Å²	98	73%	0.727	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-56.6	151.9	174.6	-24.4	34.4	0	0	0	111.9	D597	P595-D597 PolarHBondContact O-N 3.06Å
596	D	82.8	Confident	70	Confident	70 Å²	70	105.1 Å²	105.1	37%	0.374	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-76.2	121.4	171.5	-61.4	-34.8	0	0	0	108.9	R248 N598 K599	R248-D596 IonicContact CZ-OD1 2.83Å; R248-D596 IonicContact NE-OD1 3.72Å; R248-D596 PolarHBondContact NE-OD1 3.01Å; R248-D596 VanDerWaalsContact NE-OD1 3.11Å; R248-D596 IonicContact NH1-OD1 3.73Å; R248-D596 PolarHBondContact NH1-OD1 3.23Å; R248-D596 IonicContact NH2-OD1 2.91Å; R248-D596 PolarHBondContact NH2-OD1 3.25Å; R248-D596 VanDerWaalsContact NH2-OD1 3.09Å; D596-N598 PolarHBondContact O-N 3.3Å; D596-K599 PolarHBondContact O-N 3.27Å
597	D	64.7	Low	67.5	Low	165 Å²	165	110.4 Å²	110.4	88%	0.882	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-13.4	178.2	-67.9	-30.9	0	0	0	113.4	P595	P595-D597 PolarHBondContact O-N 3.06Å
598	N	52.9	Low	64.9	Low	165 Å²	165	115.9 Å²	115.9	88%	0.882	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	0.2	-179.9	-82.8	-26.6	0	0	0	115.3	D596	D596-N598 PolarHBondContact O-N 3.3Å
599	K	44.8	Very low	62.3	Low	171 Å²	171	124.1 Å²	124.1	74%	0.743	70%	0.695	S	S	*	*	S	Bend	trans	-96	102.5	166.3	-78.2	-178.3	-180	173.8	0	108.9	D596 S601	D596-K599 PolarHBondContact O-N 3.27Å; K599-S601 PolarHBondContact O-N 3.29Å
600	K	35.2	Very low	60.5	Low	209 Å²	209	126.3 Å²	126.3	91%	0.909	71%	0.708	S	S	*	*			trans	-48.7	110.5	161.4	-76.7	-177.6	178.4	-179.1	0	107.3	A602	K600-A602 PolarHBondContact O-N 3.44Å
601	S	38.5	Very low	58.5	Low	107 Å²	107	125.4 Å²	125.4	75%	0.748	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-51.1	130.1	171.3	46.9	0	0	0	0	108.2	K599	K599-S601 PolarHBondContact O-N 3.29Å
602	A	38.1	Very low	56.3	Low	85 Å²	85	131.8 Å²	131.8	70%	0.702	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-52.7	137.5	166.7	0	0	0	0	0	107.9	K600 S604	K600-A602 PolarHBondContact O-N 3.44Å; A602-S604 PolarHBondContact O-N 3.19Å; A602-S604 VanDerWaalsContact O-N 3.12Å
603	P	39.3	Very low	54	Low	119 Å²	119	137.5 Å²	137.5	77%	0.773	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-57.5	123.9	177.9	22.4	-29.7	0	0	0	108.2	E605	P603-E605 PolarHBondContact O-N 3.3Å; P603-E605 VanDerWaalsContact O-N 3.11Å
604	S	40.1	Very low	51.5	Low	108 Å²	108	142.7 Å²	142.7	76%	0.755	81%	0.808	S	S	*	*			trans	-58.6	111.9	167	48.6	0	0	0	0	107.3	A602 E606	A602-S604 PolarHBondContact O-N 3.19Å; A602-S604 VanDerWaalsContact O-N 3.12Å; S604-E606 PolarHBondContact O-N 3.06Å; S604-E606 VanDerWaalsContact O-N 3.08Å
605	E	38.6	Very low	48.9	Very low	194 Å²	194	140.6 Å²	140.6	91%	0.907	81%	0.811	S	S	*	*			trans	-63.2	109.3	163.4	-74.4	-176.3	162.9	0	0	106.7	P603	P603-E605 PolarHBondContact O-N 3.3Å; P603-E605 VanDerWaalsContact O-N 3.11Å
606	E	33.8	Very low	45.9	Very low	172 Å²	172	142.6 Å²	142.6	80%	0.804	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-57.1	138.3	164.3	-73.8	-175.6	163.5	0	0	108.4	S604 S608	S604-E606 PolarHBondContact O-N 3.06Å; S604-E606 VanDerWaalsContact O-N 3.08Å; E606-S608 PolarHBondContact O-N 3.17Å
607	P	46.2	Very low	43.1	Very low	125 Å²	125	148.2 Å²	148.2	81%	0.812	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-63	122.4	176.3	25.2	-30.1	0	0	0	108.8	S609	P607-S609 PolarHBondContact O-N 3.23Å
608	S	43.8	Very low	41.3	Very low	116 Å²	116	146.8 Å²	146.8	81%	0.811	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-58.6	122.2	170.2	53.9	0	0	0	0	109.3	E606	E606-S608 PolarHBondContact O-N 3.17Å
609	S	44.1	Very low	40.2	Very low	191 Å²	191	145.2 Å²	145.2	100%	1.336	85%	0.845	S	S	*	*			trans	-40.7	0	174	58.3	0	0	0	0	115.7	P607	P607-S609 PolarHBondContact O-N 3.23Å

Retrieved 609 of 609 residues in 742.9 ms (Link to these results)

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