A0A061ACK4_CAEEL Loading...

Dual specificity tyrosine-phosphorylation-regulated kinase mbk-2

Required for oocyte-to-zygote transition in which it phosphorylates oocyte proteins, including mei-1, oma-1, oma-2, mex-5, and mex-6, modifying their activity and/or stability following meiosis. Through phosphorylation of P granule components including meg-1, promotes the disassembly of zygotic P granules in the anterior cytoplasm during zygote polarization, and thus plays a role in P granule distribution and segregation in early stage embryos following meiosis. Functions in both spindle positioning and in the posterior localization of cytoplasmic determinants, including pie-1, pos-1, and pgl-1, in early embryos. Involved in the asymmetric distribution of plk-1 at the 2-cell embryonic stage.

AlphaFold DB , UniProt , Accession A0A061ACK4, Species CAEEL (Caenorhabditis elegans), Gene mbk-2, Length 502 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	27.5	Very low	90 Å²	90	109.9 Å²	109.9	44%	0.443	66%	0.656	S	S	.	*				0	73.7	0	-168.7	167.6	-163.3	0	0	108.1	L3 Y327	M1-L3 PolarHBondContact O-N 3.26Å; M1-Y327 HydrophobicContact CE-CD1 3.72Å; M1-Y327 HydrophobicContact CE-CE1 4.25Å; M1-Y327 HydrophobicContact CE-CG 4.18Å; M1-Y327 HydrophobicContact CG-CD1 3.94Å; M1-Y327 HydrophobicContact CG-CE1 4.47Å; M1-Y327 HydrophobicContact SD-CD1 4.45Å
2	T	25.8	Very low	27.6	Very low	25 Å²	25	121.4 Å²	121.4	15%	0.153	68%	0.679	C	S	.	*			trans	-81.8	92.9	176.3	5.6	0	0	0	0	106.8	F4 D293	T2-F4 HydrophobicContact CG2-CD2 4.14Å; T2-F4 HydrophobicContact CG2-CE2 4.36Å; T2-F4 PolarHBondContact O-N 3.26Å; T2-D293 PolarHBondContact OG1-OD2 3.46Å
3	L	24.4	Very low	27.7	Very low	127 Å²	127	125.8 Å²	125.8	67%	0.665	70%	0.695	S	S	*	*			trans	-74.5	98.2	162.8	-73.6	167	0	0	0	106.5	M1	M1-L3 PolarHBondContact O-N 3.26Å
4	F	32.8	Very low	27.5	Very low	114 Å²	114	122.4 Å²	122.4	50%	0.5	70%	0.702	S	S	.	*			trans	-117.9	114.7	160.7	-91.4	-75.2	0	0	0	108.6	T2	T2-F4 HydrophobicContact CG2-CD2 4.14Å; T2-F4 HydrophobicContact CG2-CE2 4.36Å; T2-F4 PolarHBondContact O-N 3.26Å
5	E	25.4	Very low	27.4	Very low	136 Å²	136	129.3 Å²	129.3	64%	0.636	71%	0.714	S	S	*	*			trans	-88.3	137.6	143.8	-69.4	-161.4	140.1	0	0	107.7	S7	E5-S7 PolarHBondContact O-N 3.27Å
6	P	29	Very low	27.4	Very low	107 Å²	107	137.2 Å²	137.2	70%	0.695	73%	0.73	S	S	*	*			trans	-73.2	120.7	166.8	27.9	-29.3	0	0	0	109.2	T8	P6-T8 PolarHBondContact O-N 3.2Å; P6-T8 VanDerWaalsContact O-N 3.09Å
7	S	25	Very low	27.4	Very low	118 Å²	118	133.5 Å²	133.5	83%	0.825	73%	0.732	S	S	*	*			trans	-63.3	105.8	166	54.6	0	0	0	0	109.3	E5 S9	E5-S7 PolarHBondContact O-N 3.27Å; S7-S9 PolarHBondContact O-N 3.16Å
8	T	28.5	Very low	27.4	Very low	133 Å²	133	132.7 Å²	132.7	82%	0.816	74%	0.738	S	S	*	*			trans	-74.8	103.2	167.6	44.3	0	0	0	0	109.1	P6 G10	P6-T8 PolarHBondContact O-N 3.2Å; P6-T8 VanDerWaalsContact O-N 3.09Å; T8-G10 PolarHBondContact O-N 3.19Å; T8-G10 VanDerWaalsContact O-N 3.15Å
9	S	27.6	Very low	27.3	Very low	119 Å²	119	131.2 Å²	131.2	83%	0.832	74%	0.737	S	S	*	*			trans	-68.7	101.9	160.5	53.1	0	0	0	0	108.4	S7 N11	S7-S9 PolarHBondContact O-N 3.16Å; S9-N11 PolarHBondContact O-N 2.97Å
10	G	26.6	Very low	27.3	Very low	73 Å²	73	132.3 Å²	132.3	75%	0.753	74%	0.741	S	S	*	*			trans	-70.9	109.7	174.4	0	0	0	0	0	111	T8 R12	T8-G10 PolarHBondContact O-N 3.19Å; T8-G10 VanDerWaalsContact O-N 3.15Å; G10-R12 PolarHBondContact O-N 3.35Å
11	N	27.2	Very low	27.3	Very low	167 Å²	167	130.8 Å²	130.8	89%	0.893	74%	0.739	S	S	*	*			trans	-81.3	106.3	160.6	-107.7	1.6	0	0	0	108	S9 M13	S9-N11 PolarHBondContact O-N 2.97Å; N11-M13 PolarHBondContact O-N 2.99Å
12	R	27.9	Very low	27.2	Very low	248 Å²	248	131.7 Å²	131.7	94%	0.936	76%	0.755	S	S	*	*			trans	-69.7	105.7	163.7	-85	-178.3	176	-176.7	-1.4	108.3	G10	G10-R12 PolarHBondContact O-N 3.35Å
13	M	29.1	Very low	27.3	Very low	179 Å²	179	136.3 Å²	136.3	88%	0.882	79%	0.788	S	S	*	*			trans	-77.8	114.9	155	-95.5	-176	170.9	0	0	107.7	N11 Y15	N11-M13 PolarHBondContact O-N 2.99Å; M13-Y15 PolarHBondContact O-N 2.93Å
14	G	25.2	Very low	27.5	Very low	77 Å²	77	134.1 Å²	134.1	79%	0.794	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.7	117.7	174.7	0	0	0	0	0	110.9
15	Y	26.5	Very low	27.2	Very low	227 Å²	227	135.8 Å²	135.8	89%	0.89	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-87.4	117.3	156.3	-92.7	-91.5	0	0	0	108	M13	M13-Y15 PolarHBondContact O-N 2.93Å
16	R	26.6	Very low	27.3	Very low	255 Å²	255	132.9 Å²	132.9	96%	0.962	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-70.3	121.5	164.1	-84	-180	169.8	-172.1	-3.4	108
17	G	27.3	Very low	27.2	Very low	74 Å²	74	133.6 Å²	133.6	76%	0.763	83%	0.829	S	S	*	*			trans	-139	127.5	168	0	0	0	0	0	108.1
18	S	27.7	Very low	27.3	Very low	120 Å²	120	132 Å²	132	84%	0.839	83%	0.832	S	S	*	*			trans	-71.5	155.2	-161.5	-51.3	0	0	0	0	115.2
19	S	26.3	Very low	27.2	Very low	104 Å²	104	129.7 Å²	129.7	73%	0.727	83%	0.834	S	S	*	*			trans	-27.8	138.3	164.3	49.4	0	0	0	0	117.8
20	N	27.7	Very low	27.2	Very low	152 Å²	152	130.4 Å²	130.4	81%	0.813	84%	0.839	S	S	*	*				-156.9	135.2	121	-107.4	-6	0	0	0	113.8
21	S	26.9	Very low	27.2	Very low	101 Å²	101	130.7 Å²	130.7	71%	0.706	84%	0.843	S	S	*	*			trans	-18	142.6	161.6	41.6	0	0	0	0	121.4
22	S	28.4	Very low	27.2	Very low	110 Å²	110	128 Å²	128	77%	0.769	84%	0.836	S	S	*	*				165.2	104.3	126.3	41.4	0	0	0	0	109.2
23	S	27.2	Very low	27.2	Very low	122 Å²	122	124.5 Å²	124.5	85%	0.853	84%	0.835	S	S	*	*				62.9	114.9	97.8	66.5	0	0	0	0	115.1
24	G	28.1	Very low	27	Very low	81 Å²	81	123.5 Å²	123.5	84%	0.835	83%	0.831	S	S	*	*			trans	175.1	84.5	171.4	0	0	0	0	0	114.1
25	V	27.8	Very low	27.1	Very low	149 Å²	149	127 Å²	127	90%	0.903	84%	0.837	S	S	*	*			trans	-55.6	148.2	169.7	178.8	0	0	0	0	112
26	G	27.4	Very low	27.2	Very low	75 Å²	75	124.8 Å²	124.8	77%	0.773	84%	0.835	S	S	*	*			trans	170.6	88.3	164.2	0	0	0	0	0	117.1
27	S	26.9	Very low	27.1	Very low	121 Å²	121	117.9 Å²	117.9	85%	0.846	83%	0.825	S	S	*	*			trans	-54.1	152.3	173.9	-50.1	0	0	0	0	117.6
28	G	26.1	Very low	27	Very low	86 Å²	86	122.5 Å²	122.5	89%	0.887	83%	0.831	S	S	*	*				102	132.9	124.9	0	0	0	0	0	119.1
29	G	26.6	Very low	26.9	Very low	84 Å²	84	120 Å²	120	87%	0.866	82%	0.824	S	S	*	*			trans	140.5	90.7	150.8	0	0	0	0	0	116.6
30	S	27.8	Very low	26.8	Very low	133 Å²	133	118.8 Å²	118.8	93%	0.93	83%	0.828	S	S	*	*			trans	-73.2	152.4	168.2	-47.7	0	0	0	0	112.1
31	G	27.3	Very low	27.3	Very low	80 Å²	80	117.7 Å²	117.7	83%	0.825	83%	0.829	S	S	*	*			trans	-173.9	90.5	169.4	0	0	0	0	0	112.9
32	S	26.6	Very low	27.3	Very low	109 Å²	109	120 Å²	120	76%	0.762	83%	0.833	S	S	*	*			trans	-87.6	139.6	167.8	177.5	0	0	0	0	109.3
33	L	27.3	Very low	27.3	Very low	175 Å²	175	125 Å²	125	92%	0.916	84%	0.841	S	S	*	*			trans	-159.7	125.2	150	-107.6	139.4	0	0	0	111.5
34	M	25.9	Very low	27.2	Very low	159 Å²	159	127.5 Å²	127.5	78%	0.783	84%	0.839	S	S	*	*			trans	-68.8	158.2	168.6	-66.2	-176	167.5	0	0	111.6
35	T	27.9	Very low	27	Very low	150 Å²	150	131.4 Å²	131.4	92%	0.92	84%	0.84	S	S	*	*			trans	-167.9	155.4	132.1	17.1	0	0	0	0	111.8
36	Q	26.6	Very low	26.8	Very low	181 Å²	181	128.8 Å²	128.8	85%	0.846	83%	0.828	S	S	*	*			trans	-96.9	151.8	-157.7	-70.8	167	-11.3	0	0	114.5
37	S	24.4	Very low	26.7	Very low	110 Å²	110	130.1 Å²	130.1	77%	0.769	83%	0.832	S	S	*	*			trans	5.6	129.5	134.5	151.2	0	0	0	0	119.5
38	I	27	Very low	26.6	Very low	170 Å²	170	129.9 Å²	129.9	87%	0.872	83%	0.83	S	S	*	*			trans	-148.1	139.7	136.3	-59.7	-173	0	0	0	108.8
39	G	25.1	Very low	26.5	Very low	69 Å²	69	134.5 Å²	134.5	71%	0.711	83%	0.828	S	S	*	*			trans	-116.5	176.9	-177.1	0	0	0	0	0	117.3
40	G	23.5	Very low	26.4	Very low	77 Å²	77	136.3 Å²	136.3	79%	0.794	83%	0.828	S	S	*	*			trans	78.2	160.9	157.8	0	0	0	0	0	118.4
41	P	38.1	Very low	26.2	Very low	129 Å²	129	135.6 Å²	135.6	84%	0.838	82%	0.818	S	S	*	*			cis	-139.1	169.9	7	38.6	-18	0	0	0	118.5
42	N	27.2	Very low	26.1	Very low	149 Å²	149	140.3 Å²	140.3	80%	0.797	82%	0.823	S	S	*	*			trans	-8.4	146	161.1	-70.8	-21.2	0	0	0	123.8
43	K	28.8	Very low	25.9	Very low	216 Å²	216	142 Å²	142	94%	0.939	82%	0.824	S	S	*	*			trans	-144.3	136.8	132.9	-80.6	-167.5	179	175.8	0	112.9
44	H	24.7	Very low	25.7	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.806	82%	0.822	S	S	*	*			trans	-89.1	159.6	178.6	-115.7	-97.7	0	0	0	112.5
45	L	24.8	Very low	25.6	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	82%	0.821	S	S	*	*			trans	168.3	95.4	146.8	-89.8	153.5	0	0	0	108
46	S	23.4	Very low	25.4	Very low	94 Å²	94	135.1 Å²	135.1	66%	0.657	81%	0.812	S	S	*	*				82.8	119.6	83	73.5	0	0	0	0	117.6
47	A	23.9	Very low	25.3	Very low	102 Å²	102	133.2 Å²	133.2	84%	0.843	81%	0.813	S	S	*	*			trans	56.5	142.8	151.3	0	0	0	0	0	119.6
48	S	25	Very low	25.5	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	81%	0.811	S	S	*	*			cis	-158.1	137.1	42.3	46.8	0	0	0	0	114
49	H	25.5	Very low	25.4	Very low	183 Å²	183	135.4 Å²	135.4	85%	0.847	81%	0.812	S	S	*	*			trans	-77.3	144.1	161.9	-89.2	-89.5	0	0	0	110.9
50	S	24.4	Very low	25.4	Very low	123 Å²	123	139.2 Å²	139.2	86%	0.86	81%	0.813	S	S	*	*			trans	-116.6	113.6	153.9	53.4	0	0	0	0	109.3
51	T	23.2	Very low	25.6	Very low	117 Å²	117	144.9 Å²	144.9	72%	0.718	82%	0.821	S	S	*	*			trans	-95.3	130.6	172.1	16.4	0	0	0	0	108.9
52	L	24.1	Very low	24.9	Very low	180 Å²	180	147.2 Å²	147.2	94%	0.942	82%	0.821	S	S	*	*			trans	-126.7	105.9	150.7	-91.9	161.8	0	0	0	107.2
53	N	22.3	Very low	25	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	82%	0.818	S	S	*	*			trans	-79.8	137.8	167.4	-100.1	-11.4	0	0	0	108.8
54	T	23.8	Very low	25	Very low	142 Å²	142	144.6 Å²	144.6	87%	0.871	82%	0.816	S	S	*	*			trans	-153.2	114.3	134.5	37.7	0	0	0	0	110.8
55	A	23.7	Very low	25.5	Very low	93 Å²	93	142.9 Å²	142.9	77%	0.769	81%	0.811	S	S	*	*			trans	59.4	102.8	139.9	0	0	0	0	0	120.7
56	S	23.8	Very low	26.4	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	79%	0.785	S	S	*	*			trans	-24.9	134	143.3	52.4	0	0	0	0	117.9
57	T	24.9	Very low	27.5	Very low	141 Å²	141	139 Å²	139	87%	0.865	78%	0.78	S	S	*	*				-134.1	126.1	127.8	46.7	0	0	0	0	108.9	D59	T57-D59 PolarHBondContact O-N 2.99Å
58	H	28	Very low	29.1	Very low	160 Å²	160	136 Å²	136	74%	0.741	75%	0.754	S	S	*	*			trans	-45.4	127.7	171.5	-91.8	-112.7	0	0	0	111.9
59	D	25	Very low	31.2	Very low	166 Å²	166	131.1 Å²	131.1	89%	0.888	72%	0.719	S	S	*	*			trans	-135.9	99.5	146.3	-114.5	-21.4	0	0	0	107.9	T57	T57-D59 PolarHBondContact O-N 2.99Å
60	M	26	Very low	32.8	Very low	150 Å²	150	124.7 Å²	124.7	74%	0.739	69%	0.694	S	S	*	*			trans	-64.5	140.2	178.5	-72.7	172.1	78.6	0	0	109.4	H62	M60-H62 PolarHBondContact O-N 3.15Å
61	M	26.2	Very low	33.9	Very low	195 Å²	195	123 Å²	123	96%	0.961	68%	0.676	S	S	*	*			trans	-51.5	95.6	169.4	-71.3	-179.2	169.7	0	0	111	S63	M61-S63 PolarHBondContact O-N 3.4Å
62	H	24.7	Very low	34.8	Very low	178 Å²	178	125.2 Å²	125.2	82%	0.824	68%	0.678	S	S	*	*			trans	-69.9	112.6	155.7	-92.9	-66.6	0	0	0	107.8	M60 K64	M60-H62 PolarHBondContact O-N 3.15Å; H62-K64 PolarHBondContact O-N 3.5Å
63	S	28.3	Very low	35.4	Very low	107 Å²	107	120.5 Å²	120.5	75%	0.748	66%	0.66	S	S	*	*			trans	-52.8	110.1	167.2	61.4	0	0	0	0	108.5	M61 I65	M61-S63 PolarHBondContact O-N 3.4Å; S63-I65 PolarHBondContact O-N 3.18Å; S63-I65 VanDerWaalsContact O-N 3.1Å
64	K	30.1	Very low	36.3	Very low	203 Å²	203	118 Å²	118	88%	0.883	65%	0.646	S	S	*	*			trans	-59.3	118	172.3	-74.2	-178.8	176.4	179.3	0	107.8	H62	H62-K64 PolarHBondContact O-N 3.5Å
65	I	34.3	Very low	36.9	Very low	139 Å²	139	115.1 Å²	115.1	71%	0.713	63%	0.632	S	S	*	*			trans	-42.4	132.8	167.1	-63.1	165.7	0	0	0	108	S63 K67	S63-I65 PolarHBondContact O-N 3.18Å; S63-I65 VanDerWaalsContact O-N 3.1Å; I65-K67 PolarHBondContact O-N 2.94Å; I65-K67 VanDerWaalsContact O-N 3.15Å
66	P	43.7	Very low	37.5	Very low	47 Å²	47	121.9 Å²	121.9	31%	0.305	64%	0.637	S	S	.	*			trans	-53.3	125.2	175.4	-19.8	29.4	0	0	0	108.8	S68	P66-S68 VanDerWaalsContact C-N 3.35Å; P66-S68 PolarHBondContact O-N 3.11Å
67	K	46.9	Very low	37.9	Very low	128 Å²	128	120.3 Å²	120.3	56%	0.557	63%	0.627	S	S	*	*			trans	-61.3	106	163.2	-81.2	-173.1	173.5	-174	0	105.9	I65 Y235 F236 N237	I65-K67 PolarHBondContact O-N 2.94Å; I65-K67 VanDerWaalsContact O-N 3.15Å; K67-Y235 HydrophobicContact CD-CE2 4.47Å; K67-F236 VanDerWaalsContact O-CB 3.26Å; K67-F236 WeakPolarHBondContact O-CB 3.44Å; K67-N237 PolarHBondContact O-N 3.29Å
68	S	58	Low	38.2	Very low	41 Å²	41	123.2 Å²	123.2	29%	0.287	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-59.7	153.8	169.6	56.9	0	0	0	0	109.4	P66 S70	P66-S68 VanDerWaalsContact C-N 3.35Å; P66-S68 PolarHBondContact O-N 3.11Å; S68-S70 PolarHBondContact O-N 3.35Å
69	P	68.4	Low	38.3	Very low	12 Å²	12	121.9 Å²	121.9	8%	0.078	63%	0.633	C	S	.	*	P	Polyproline II helix	trans	-48.5	139.5	170.4	-22.3	30.3	0	0	0	110.2	N71 A164 Y167 F236	P69-N71 PolarHBondContact O-N 3.44Å; P69-A164 HydrophobicContact CG-CB 3.55Å; P69-Y167 HydrophobicContact CG-CE2 4.44Å; P69-F236 HydrophobicContact CB-CD1 4Å; P69-F236 HydrophobicContact CB-CE1 4.43Å; P69-F236 HydrophobicContact CB-CG 4.3Å; P69-F236 HydrophobicContact CG-CB 4.29Å; P69-F236 HydrophobicContact CG-CD1 3.88Å; P69-F236 HydrophobicContact CG-CD2 4.04Å; P69-F236 HydrophobicContact CG-CE1 4.18Å; P69-F236 HydrophobicContact CG-CE2 4.33Å; P69-F236 HydrophobicContact CG-CG 3.81Å; P69-F236 HydrophobicContact CG-CZ 4.4Å
70	S	58.8	Low	38.6	Very low	48 Å²	48	119.7 Å²	119.7	34%	0.336	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-63.2	134.5	-172.3	52.4	0	0	0	0	111.4	S68 K188 D234	S68-S70 PolarHBondContact O-N 3.35Å; S70-K188 PolarHBondContact O-NZ 3.39Å; S70-D234 PolarHBondContact N-OD1 3.13Å; S70-D234 PolarHBondContact N-OD2 3.03Å; S70-D234 VanDerWaalsContact OG-CG 3.25Å; S70-D234 PolarHBondContact OG-OD1 3.18Å; S70-D234 PolarHBondContact OG-OD2 2.76Å
71	N	47.9	Very low	38.8	Very low	88 Å²	88	117.8 Å²	117.8	47%	0.471	63%	0.633	S	S	.	*			trans	-75.8	-18.1	169.9	-82.7	-21.6	0	0	0	111.7	P69 S73 T124 K188	P69-N71 PolarHBondContact O-N 3.44Å; N71-S73 PolarHBondContact O-N 2.83Å; N71-T124 PolarHBondContact ND2-OG1 3.42Å; N71-K188 PolarHBondContact O-NZ 3.07Å; N71-K188 VanDerWaalsContact O-NZ 3.07Å
72	E	42.9	Very low	39.1	Very low	163 Å²	163	114.2 Å²	114.2	76%	0.762	63%	0.627	S	S	*	*	S	Bend	trans	-57.1	130.2	-179.8	-67.6	-162.1	165.6	0	0	111.5	L74 Y189	E72-L74 PolarHBondContact O-N 3.02Å; E72-Y189 PolarHBondContact O-OH 2.87Å; E72-Y189 VanDerWaalsContact O-OH 3.12Å
73	S	35.9	Very low	39.2	Very low	81 Å²	81	109.5 Å²	109.5	57%	0.566	63%	0.626	S	S	*	*			trans	-60.6	130.7	174.8	42.3	0	0	0	0	109.8	N71 S75	N71-S73 PolarHBondContact O-N 2.83Å; S73-S75 PolarHBondContact O-N 3Å; S73-S75 PolarHBondContact OG-OG 3.1Å; S73-S75 VanDerWaalsContact OG-OG 3.07Å
74	L	40.7	Very low	39.2	Very low	93 Å²	93	108 Å²	108	49%	0.487	63%	0.628	S	S	.	*			trans	-61.2	76.1	158.3	-77.3	162.5	0	0	0	108.8	E72 Y189	E72-L74 PolarHBondContact O-N 3.02Å; L74-Y189 HydrophobicContact CD1-CD2 3.89Å; L74-Y189 HydrophobicContact CD1-CE2 3.7Å; L74-Y189 HydrophobicContact CG-CE2 4.26Å
75	S	36.5	Very low	39.1	Very low	81 Å²	81	104.2 Å²	104.2	57%	0.566	63%	0.627	S	S	*	*			trans	-132.3	74	177	59.7	0	0	0	0	109.3	S73	S73-S75 PolarHBondContact O-N 3Å; S73-S75 PolarHBondContact OG-OG 3.1Å; S73-S75 VanDerWaalsContact OG-OG 3.07Å
76	R	36.8	Very low	39.2	Very low	234 Å²	234	107.6 Å²	107.6	88%	0.883	64%	0.64	S	S	*	*	S	Bend	trans	-138.4	105.8	154.3	-72.8	-166.6	-180	-175.2	0.6	110.6
77	S	31.7	Very low	38.4	Very low	72 Å²	72	108.6 Å²	108.6	50%	0.503	66%	0.658	S	S	.	*			trans	61.9	84.8	152.6	60.1	0	0	0	0	119.7
78	H	31.1	Very low	37.9	Very low	201 Å²	201	106.5 Å²	106.5	93%	0.931	67%	0.673	S	S	*	*			trans	-97	97	133.1	-76.5	-59.5	0	0	0	107.7
79	T	29.9	Very low	36.6	Very low	132 Å²	132	113.2 Å²	113.2	81%	0.81	70%	0.699	S	S	*	*			trans	-112.8	100.5	167.5	49.6	0	0	0	0	108.1
80	S	31.3	Very low	35.1	Very low	120 Å²	120	120.4 Å²	120.4	84%	0.839	74%	0.737	S	S	*	*			trans	-103.8	123.4	158.7	53.3	0	0	0	0	108.1
81	S	30.3	Very low	33.9	Very low	111 Å²	111	123.3 Å²	123.3	78%	0.776	76%	0.758	S	S	*	*			trans	-70.7	125.3	-177.1	49	0	0	0	0	113.6
82	S	32.3	Very low	33.4	Very low	120 Å²	120	126.3 Å²	126.3	84%	0.839	77%	0.774	S	S	*	*			trans	52.2	119.1	138.4	62.2	0	0	0	0	122.1
83	G	27.7	Very low	33.4	Very low	79 Å²	79	124 Å²	124	81%	0.814	78%	0.775	S	S	*	*			trans	-165.8	107.6	146.2	0	0	0	0	0	108.4
84	G	28.2	Very low	33.7	Very low	75 Å²	75	123.1 Å²	123.1	77%	0.773	78%	0.779	S	S	*	*			trans	-72.4	150.6	-168.4	0	0	0	0	0	114.9
85	S	28.3	Very low	34.6	Very low	124 Å²	124	123 Å²	123	87%	0.867	79%	0.786	S	S	*	*			trans	-171.4	134.4	140.8	-78.8	0	0	0	0	108.9
86	Q	35.3	Very low	36.6	Very low	210 Å²	210	122.1 Å²	122.1	98%	0.981	78%	0.775	S	S	*	*			trans	-62.6	132.2	177.9	-69.9	179.7	-5.4	0	0	110.8
87	G	28.2	Very low	39	Very low	68 Å²	68	115.3 Å²	115.3	70%	0.701	76%	0.763	S	S	*	*			trans	-176.1	106.2	171.8	0	0	0	0	0	109.2	H89	G87-H89 PolarHBondContact O-N 3.32Å; G87-H89 VanDerWaalsContact O-N 3.08Å
88	G	34.9	Very low	41.9	Very low	84 Å²	84	112.3 Å²	112.3	87%	0.866	74%	0.744	S	S	*	*			trans	-63.4	108	-178.9	0	0	0	0	0	111.5
89	H	31.9	Very low	45	Very low	181 Å²	181	106.7 Å²	106.7	84%	0.838	72%	0.717	S	S	*	*			trans	-123.8	116.2	163.4	-89.7	-38.3	0	0	0	110.6	G87 S91	G87-H89 PolarHBondContact O-N 3.32Å; G87-H89 VanDerWaalsContact O-N 3.08Å; H89-S91 PolarHBondContact O-N 3.25Å; H89-S91 VanDerWaalsContact O-N 3.1Å
90	N	36.4	Very low	48.1	Very low	163 Å²	163	106.6 Å²	106.6	87%	0.872	70%	0.702	S	S	*	*			trans	-64.2	98.2	175.9	-150.5	10.8	0	0	0	109.2	N92	N90-N92 PolarHBondContact O-N 3.01Å
91	S	33.9	Very low	51.2	Low	109 Å²	109	101.4 Å²	101.4	76%	0.762	67%	0.665	S	S	*	*			trans	-96.8	80.7	176.1	47.8	0	0	0	0	110.2	H89 S93	H89-S91 PolarHBondContact O-N 3.25Å; H89-S91 VanDerWaalsContact O-N 3.1Å; S91-S93 VanDerWaalsContact C-N 3.35Å; S91-S93 PolarHBondContact O-N 3.41Å
92	N	37.3	Very low	54.3	Low	151 Å²	151	100 Å²	100	81%	0.807	65%	0.646	S	S	*	*			trans	-76.8	84.9	173.6	-145.3	15.3	0	0	0	109.2	N90 G94	N90-N92 PolarHBondContact O-N 3.01Å; N92-G94 PolarHBondContact O-N 3.33Å; N92-G94 VanDerWaalsContact O-N 3.08Å
93	S	42.4	Very low	57.4	Low	114 Å²	114	97.2 Å²	97.2	80%	0.797	62%	0.622	S	S	*	*			trans	-80.4	75.3	168.5	53.2	0	0	0	0	109.4	S91 S95	S91-S93 VanDerWaalsContact C-N 3.35Å; S91-S93 PolarHBondContact O-N 3.41Å; S93-S95 PolarHBondContact O-N 2.92Å
94	G	43.3	Very low	60.7	Low	63 Å²	63	93.5 Å²	93.5	65%	0.649	58%	0.583	S	S	*	*			trans	-67.9	101.2	-177.6	0	0	0	0	0	112.1	N92 N96	N92-G94 PolarHBondContact O-N 3.33Å; N92-G94 VanDerWaalsContact O-N 3.08Å; G94-N96 PolarHBondContact O-N 2.77Å
95	S	58.7	Low	63.9	Low	91 Å²	91	91.5 Å²	91.5	64%	0.636	56%	0.556	S	S	*	*			trans	-64.9	123.5	164.6	65.3	0	0	0	0	109	S93 S97	S93-S95 PolarHBondContact O-N 2.92Å; S95-S97 PolarHBondContact O-N 3.35Å
96	N	78.8	Confident	67.2	Low	63 Å²	63	93.6 Å²	93.6	34%	0.337	55%	0.552	S	S	.	*			trans	-57.4	121.1	171.4	179.2	1.2	0	0	0	108.5	G94 G98 F127 H187	G94-N96 PolarHBondContact O-N 2.77Å; N96-G98 VanDerWaalsContact C-N 3.28Å; N96-G98 PolarHBondContact O-N 3.33Å; N96-G98 PolarHBondContact OD1-N 2.95Å; N96-F127 VanDerWaalsContact O-CE1 3.27Å; N96-F127 WeakPolarHBondContact O-CE1 3.39Å; N96-H187 PolarHBondContact ND2-O 3.35Å
97	S	86.8	Confident	70.1	Confident	90 Å²	90	87.6 Å²	87.6	63%	0.629	53%	0.53	S	S	*	.			trans	-76.5	-14.3	-173.1	54.9	0	0	0	0	113.8	S95 R125	S95-S97 PolarHBondContact O-N 3.35Å; S97-R125 PolarHBondContact O-NH1 2.9Å
98	G	92.5	Very high	73.3	Confident	9 Å²	9	86.8 Å²	86.8	9%	0.093	51%	0.507	C	S	.	.			trans	65.9	152.3	-179.5	0	0	0	0	0	113.9	N96 R125 V126	N96-G98 VanDerWaalsContact C-N 3.28Å; N96-G98 PolarHBondContact O-N 3.33Å; N96-G98 PolarHBondContact OD1-N 2.95Å; G98-R125 PolarHBondContact O-NH1 2.86Å; G98-V126 CarbonylContact C-O 3.52Å; G98-V126 WeakPolarHBondContact CA-O 3.18Å
99	F	95.7	Very high	76.1	Confident	84 Å²	84	83.4 Å²	83.4	37%	0.368	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-74.6	150.4	175.3	-67.4	-89.8	0	0	0	110.9	D103 A104 F108 R125 V126	F99-D103 HydrophobicContact CB-CB 4.44Å; F99-D103 HydrophobicContact CD1-CB 4.1Å; F99-A104 HydrophobicContact CB-CB 3.93Å; F99-F108 HydrophobicContact CD2-CE2 4Å; F99-F108 AromaticContact CE2-CE2 3.9Å; F99-F108 HydrophobicContact CE2-CE2 3.9Å; F99-F108 HydrophobicContact CE2-CZ 4.07Å; F99-F108 HydrophobicContact CG-CE2 4.47Å; F99-F108 HydrophobicContact CZ-CE2 4.27Å; F99-F108 HydrophobicContact CZ-CZ 4.3Å; F99-R125 WeakPolarHBondContact O-CA 3.37Å; F99-V126 HydrophobicContact CB-CB 4.39Å; F99-V126 PolarHBondContact N-O 3.18Å; F99-V126 PolarHBondContact O-N 3.32Å
100	R	96.1	Very high	79.2	Confident	130 Å²	130	79.8 Å²	79.8	49%	0.491	47%	0.474	S	S	.	.			trans	-68.9	155.1	159.5	-60.1	177.6	57.4	-158.4	-9.6	109	E102 D103 A104	R100-E102 VanDerWaalsContact C-N 3.25Å; R100-E102 IonicContact CZ-OE2 3.86Å; R100-E102 IonicContact NE-OE2 3.69Å; R100-E102 PolarHBondContact NE-OE2 3.21Å; R100-E102 IonicContact NH2-OE1 3.54Å; R100-E102 IonicContact NH2-OE2 3.83Å; R100-E102 PolarHBondContact NH2-OE2 3.29Å; R100-E102 PolarHBondContact O-N 3.29Å; R100-D103 WeakPolarHBondContact CB-OD2 3.06Å; R100-D103 PolarHBondContact O-N 3.41Å; R100-A104 WeakPolarHBondContact O-CB 3.16Å; R100-A104 PolarHBondContact O-N 2.96Å
101	P	95.6	Very high	82	Confident	10 Å²	10	77.6 Å²	77.6	7%	0.065	46%	0.457	C	S	.	.	H	α-helix	trans	-54.9	-40.3	178.2	-30.8	39.8	0	0	0	113.5	A104 V105 Y121 Y123	P101-A104 PolarHBondContact O-N 3.42Å; P101-V105 WeakPolarHBondContact O-CG2 2.95Å; P101-V105 PolarHBondContact O-N 2.95Å; P101-Y121 HydrophobicContact CB-CD1 3.66Å; P101-Y121 HydrophobicContact CB-CE1 4.01Å; P101-Y121 HydrophobicContact CB-CG 4.38Å; P101-Y123 WeakPolarHBondContact CG-O 3.27Å
102	E	96.6	Very high	85	Confident	81 Å²	81	73 Å²	73	38%	0.379	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-50	178.5	-59.9	76.9	-153.9	0	0	111.2	R100 A104 V105 Q106 Y121	R100-E102 VanDerWaalsContact C-N 3.25Å; R100-E102 IonicContact CZ-OE2 3.86Å; R100-E102 IonicContact NE-OE2 3.69Å; R100-E102 PolarHBondContact NE-OE2 3.21Å; R100-E102 IonicContact NH2-OE1 3.54Å; R100-E102 IonicContact NH2-OE2 3.83Å; R100-E102 PolarHBondContact NH2-OE2 3.29Å; R100-E102 PolarHBondContact O-N 3.29Å; E102-A104 VanDerWaalsContact C-N 3.31Å; E102-A104 PolarHBondContact O-N 3.27Å; E102-V105 PolarHBondContact O-N 3.33Å; E102-Q106 PolarHBondContact O-N 2.92Å; E102-Y121 HydrophobicContact CG-CE1 4.22Å
103	D	96.6	Very high	87.7	Confident	63 Å²	63	66.8 Å²	66.8	34%	0.337	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-37.7	179.4	-52.6	-34.6	0	0	0	111.2	F99 R100 Q106 T107	F99-D103 HydrophobicContact CB-CB 4.44Å; F99-D103 HydrophobicContact CD1-CB 4.1Å; R100-D103 WeakPolarHBondContact CB-OD2 3.06Å; R100-D103 PolarHBondContact O-N 3.41Å; D103-Q106 PolarHBondContact O-N 3.31Å; D103-T107 VanDerWaalsContact O-CB 3.27Å; D103-T107 WeakPolarHBondContact O-CB 3.43Å; D103-T107 PolarHBondContact O-N 3.46Å; D103-T107 PolarHBondContact O-OG1 3.04Å
104	A	96.7	Very high	90.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-66.6	-40.9	177.2	0	0	0	0	0	112.1	F99 R100 P101 E102 T107 F108 I120 V126	F99-A104 HydrophobicContact CB-CB 3.93Å; R100-A104 WeakPolarHBondContact O-CB 3.16Å; R100-A104 PolarHBondContact O-N 2.96Å; P101-A104 PolarHBondContact O-N 3.42Å; E102-A104 VanDerWaalsContact C-N 3.31Å; E102-A104 PolarHBondContact O-N 3.27Å; A104-T107 PolarHBondContact O-N 3.23Å; A104-F108 HydrophobicContact CB-CD2 4.36Å; A104-F108 WeakPolarHBondContact O-CA 3.45Å; A104-F108 WeakPolarHBondContact O-CB 3.47Å; A104-F108 WeakPolarHBondContact O-CD2 3.33Å; A104-F108 PolarHBondContact O-N 3.01Å; A104-I120 HydrophobicContact CB-CD1 3.86Å; A104-V126 HydrophobicContact CB-CB 3.83Å; A104-V126 HydrophobicContact CB-CG1 3.76Å; A104-V126 HydrophobicContact CB-CG2 3.96Å
105	V	96.7	Very high	92.6	Very high	34 Å²	34	65 Å²	65	21%	0.206	36%	0.361	C	S	.	.	H	α-helix	trans	-66.6	-40.1	174.5	171.9	0	0	0	0	110.7	P101 E102 G109 L112 I120 Y121	P101-V105 WeakPolarHBondContact O-CG2 2.95Å; P101-V105 PolarHBondContact O-N 2.95Å; E102-V105 PolarHBondContact O-N 3.33Å; V105-G109 WeakPolarHBondContact O-CA 3.24Å; V105-G109 PolarHBondContact O-N 3.23Å; V105-L112 HydrophobicContact CG2-CD1 4.27Å; V105-I120 HydrophobicContact CG2-CD1 4.21Å; V105-I120 HydrophobicContact CG2-CG2 3.54Å; V105-Y121 HydrophobicContact CG2-CE2 4.22Å
106	Q	96.6	Very high	94.4	Very high	168 Å²	168	60.7 Å²	60.7	79%	0.785	33%	0.331	S	S	*	.	H	α-helix	trans	-63.6	-43.1	175.8	-172.9	176.9	6.1	0	0	111.8	E102 D103	E102-Q106 PolarHBondContact O-N 2.92Å; D103-Q106 PolarHBondContact O-N 3.31Å
107	T	96.1	Very high	95.2	Very high	84 Å²	84	62 Å²	62	52%	0.515	33%	0.334	S	S	.	.	H	α-helix	trans	-77.8	-42.6	-175.7	-53.2	0	0	0	0	112.2	D103 A104	D103-T107 VanDerWaalsContact O-CB 3.27Å; D103-T107 WeakPolarHBondContact O-CB 3.43Å; D103-T107 PolarHBondContact O-N 3.46Å; D103-T107 PolarHBondContact O-OG1 3.04Å; A104-T107 PolarHBondContact O-N 3.23Å
108	F	96.3	Very high	95.4	Very high	51 Å²	51	62.8 Å²	62.8	22%	0.224	33%	0.331	C	S	.	.	H	α-helix	trans	-116	4.7	-169.5	-53	-69.3	0	0	0	113.9	F99 A104 A110 K111 L112 V129	F99-F108 HydrophobicContact CD2-CE2 4Å; F99-F108 AromaticContact CE2-CE2 3.9Å; F99-F108 HydrophobicContact CE2-CE2 3.9Å; F99-F108 HydrophobicContact CE2-CZ 4.07Å; F99-F108 HydrophobicContact CG-CE2 4.47Å; F99-F108 HydrophobicContact CZ-CE2 4.27Å; F99-F108 HydrophobicContact CZ-CZ 4.3Å; A104-F108 HydrophobicContact CB-CD2 4.36Å; A104-F108 WeakPolarHBondContact O-CA 3.45Å; A104-F108 WeakPolarHBondContact O-CB 3.47Å; A104-F108 WeakPolarHBondContact O-CD2 3.33Å; A104-F108 PolarHBondContact O-N 3.01Å; F108-A110 PolarHBondContact O-N 3.4Å; F108-K111 WeakPolarHBondContact O-CA 3.35Å; F108-K111 WeakPolarHBondContact O-CB 3.24Å; F108-K111 PolarHBondContact O-N 3.39Å; F108-L112 PolarHBondContact O-N 2.83Å; F108-V129 HydrophobicContact CB-CG1 4.47Å; F108-V129 HydrophobicContact CB-CG2 3.94Å; F108-V129 HydrophobicContact CD1-CG2 4.07Å; F108-V129 HydrophobicContact CD2-CG1 4.09Å; F108-V129 HydrophobicContact CD2-CG2 4.19Å; F108-V129 HydrophobicContact CG-CG1 4.41Å; F108-V129 HydrophobicContact CG-CG2 3.8Å
109	G	94.2	Very high	95.6	Very high	13 Å²	13	63 Å²	63	13%	0.134	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.2	-171.8	0	0	0	0	0	115.3	V105 K111 K117	V105-G109 WeakPolarHBondContact O-CA 3.24Å; V105-G109 PolarHBondContact O-N 3.23Å; G109-K111 PolarHBondContact O-N 3.07Å; G109-K117 WeakPolarHBondContact O-CE 3.17Å; G109-K117 PolarHBondContact O-NZ 3.39Å
110	A	95.5	Very high	95.6	Very high	105 Å²	105	59 Å²	59	87%	0.868	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-14.8	173.3	0	0	0	0	0	113.9	F108	F108-A110 PolarHBondContact O-N 3.4Å
111	K	96.2	Very high	95.6	Very high	117 Å²	117	58.2 Å²	58.2	51%	0.509	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-7	179.6	-55.9	-60.8	-176	-177.2	0	113.2	F108 G109	F108-K111 WeakPolarHBondContact O-CA 3.35Å; F108-K111 WeakPolarHBondContact O-CB 3.24Å; F108-K111 PolarHBondContact O-N 3.39Å; G109-K111 PolarHBondContact O-N 3.07Å
112	L	96	Very high	95.5	Very high	11 Å²	11	61.9 Å²	61.9	6%	0.058	33%	0.329	C	S	.	.	S	Bend	trans	-91.4	138.2	178.4	-60.7	-179.5	0	0	0	111	V105 F108 E116 K117 I120 V129	V105-L112 HydrophobicContact CG2-CD1 4.27Å; F108-L112 PolarHBondContact O-N 2.83Å; L112-E116 WeakPolarHBondContact CA-OE2 3.45Å; L112-E116 HydrophobicContact CB-CB 4.09Å; L112-E116 HydrophobicContact CD2-CB 4.28Å; L112-K117 HydrophobicContact CB-CG 4.01Å; L112-I120 HydrophobicContact CD1-CD1 3.91Å; L112-V129 HydrophobicContact CD2-CB 3.97Å; L112-V129 HydrophobicContact CD2-CG1 4.23Å
113	V	95.4	Very high	95.4	Very high	22 Å²	22	58.3 Å²	58.3	13%	0.133	31%	0.312	C	S	.	.			trans	-74.7	159.3	170.9	-58.6	0	0	0	0	110.8	F115 E116 K117 K135	V113-F115 HydrophobicContact CG2-CB 4.26Å; V113-F115 PolarHBondContact O-N 2.84Å; V113-F115 VanDerWaalsContact O-N 3.15Å; V113-E116 HydrophobicContact CG2-CB 4.09Å; V113-E116 HydrophobicContact CG2-CG 3.65Å; V113-E116 PolarHBondContact N-OE2 2.74Å; V113-E116 WeakPolarHBondContact O-CB 3.38Å; V113-E116 PolarHBondContact O-N 2.8Å; V113-K117 PolarHBondContact O-N 3.45Å; V113-K135 HydrophobicContact CG1-CB 3.75Å; V113-K135 HydrophobicContact CG1-CD 4.04Å
114	P	94	Very high	95.3	Very high	99 Å²	99	58.9 Å²	58.9	64%	0.643	32%	0.318	S	S	*	.	H	α-helix	trans	-53.2	-38.2	-177.8	-29.3	36.4	0	0	0	114.3	E116 K117	P114-E116 PolarHBondContact O-N 2.86Å; P114-K117 PolarHBondContact O-N 2.7Å
115	F	94.4	Very high	95.2	Very high	40 Å²	40	63.8 Å²	63.8	18%	0.175	34%	0.336	C	S	.	.	H	α-helix	trans	-59.3	-45.9	174.5	-174.8	-89.1	0	0	0	112.3	V113 K117 N118 E119 I140 Y148 R239	V113-F115 HydrophobicContact CG2-CB 4.26Å; V113-F115 PolarHBondContact O-N 2.84Å; V113-F115 VanDerWaalsContact O-N 3.15Å; F115-K117 VanDerWaalsContact C-N 3.32Å; F115-K117 PolarHBondContact O-N 2.98Å; F115-N118 PolarHBondContact O-N 3.35Å; F115-E119 HydrophobicContact CD1-CB 4.14Å; F115-E119 HydrophobicContact CE1-CB 3.96Å; F115-E119 HydrophobicContact CE1-CG 4.19Å; F115-E119 WeakPolarHBondContact O-CB 3.4Å; F115-E119 PolarHBondContact O-N 3.15Å; F115-I140 HydrophobicContact CD2-CD1 4.44Å; F115-I140 HydrophobicContact CD2-CG1 3.64Å; F115-I140 HydrophobicContact CE2-CG1 3.64Å; F115-Y148 AromaticContact CD1-CE2 3.84Å; F115-Y148 HydrophobicContact CD1-CE2 3.84Å; F115-Y148 AromaticContact CD1-CZ 3.87Å; F115-Y148 WeakPolarHBondContact CD1-OH 3.48Å; F115-Y148 HydrophobicContact CD2-CE2 4.15Å; F115-Y148 AromaticContact CE1-CE2 3.73Å; F115-Y148 HydrophobicContact CE1-CE2 3.73Å; F115-Y148 HydrophobicContact CE2-CE2 4.06Å; F115-Y148 HydrophobicContact CG-CE2 4.05Å; F115-Y148 WeakPolarHBondContact CG-OH 3.34Å; F115-Y148 AromaticContact CZ-CE2 3.85Å; F115-Y148 HydrophobicContact CZ-CE2 3.85Å; F115-R239 HydrophobicContact CE1-CG 4.28Å
116	E	96.1	Very high	95.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.6	-33.3	-178.6	-74.1	171.7	162.9	0	0	112.6	L112 V113 P114 N118 E119 I120 K135 H162 Y165 R239	L112-E116 WeakPolarHBondContact CA-OE2 3.45Å; L112-E116 HydrophobicContact CB-CB 4.09Å; L112-E116 HydrophobicContact CD2-CB 4.28Å; V113-E116 HydrophobicContact CG2-CB 4.09Å; V113-E116 HydrophobicContact CG2-CG 3.65Å; V113-E116 PolarHBondContact N-OE2 2.74Å; V113-E116 WeakPolarHBondContact O-CB 3.38Å; V113-E116 PolarHBondContact O-N 2.8Å; P114-E116 PolarHBondContact O-N 2.86Å; E116-N118 PolarHBondContact O-N 2.76Å; E116-E119 PolarHBondContact O-N 2.91Å; E116-I120 VanDerWaalsContact O-CB 3.24Å; E116-I120 WeakPolarHBondContact O-CB 3.07Å; E116-I120 WeakPolarHBondContact O-CG2 3.39Å; E116-I120 PolarHBondContact O-N 3.35Å; E116-K135 IonicContact OE1-NZ 3.94Å; E116-K135 PolarHBondContact OE1-NZ 2.72Å; E116-K135 WeakPolarHBondContact OE2-CD 2.94Å; E116-K135 WeakPolarHBondContact OE2-CE 3.49Å; E116-K135 IonicContact OE2-NZ 3.34Å; E116-K135 PolarHBondContact OE2-NZ 3.25Å; E116-H162 IonicContact OE1-CD2 3.42Å; E116-H162 IonicContact OE1-NE2 3.97Å; E116-H162 PolarHBondContact OE1-NE2 2.82Å; E116-Y165 WeakPolarHBondContact CA-OH 3.26Å; E116-Y165 WeakPolarHBondContact CB-OH 3.48Å; E116-Y165 PolarHBondContact O-OH 2.81Å; E116-Y165 VanDerWaalsContact O-OH 3.07Å; E116-R239 IonicContact OE1-NH2 2.92Å; E116-R239 PolarHBondContact OE1-NH2 3.4Å
117	K	94.3	Very high	95.2	Very high	91 Å²	91	55.5 Å²	55.5	40%	0.396	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-26.1	177.3	-66.8	-177.4	-179.5	-175.9	0	112.7	G109 L112 V113 P114 F115 Y121	G109-K117 WeakPolarHBondContact O-CE 3.17Å; G109-K117 PolarHBondContact O-NZ 3.39Å; L112-K117 HydrophobicContact CB-CG 4.01Å; V113-K117 PolarHBondContact O-N 3.45Å; P114-K117 PolarHBondContact O-N 2.7Å; F115-K117 VanDerWaalsContact C-N 3.32Å; F115-K117 PolarHBondContact O-N 2.98Å; K117-Y121 WeakPolarHBondContact O-CD2 3.34Å; K117-Y121 WeakPolarHBondContact O-CE2 3.35Å
118	N	93	Very high	95.3	Very high	106 Å²	106	53.2 Å²	53.2	57%	0.567	28%	0.278	S	S	*	.	H	α-helix	trans	-93.5	-43.2	174.1	-61.6	-39.9	0	0	0	111.5	F115 E116 I120	F115-N118 PolarHBondContact O-N 3.35Å; E116-N118 PolarHBondContact O-N 2.76Å; N118-I120 VanDerWaalsContact C-N 3.3Å; N118-I120 PolarHBondContact O-N 2.93Å
119	E	95.3	Very high	95.4	Very high	15 Å²	15	51 Å²	51	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-36.2	-177.3	177.4	-178.8	-135.4	0	0	112.7	F115 E116 Y121 N122 Y123 Y165 R239	F115-E119 HydrophobicContact CD1-CB 4.14Å; F115-E119 HydrophobicContact CE1-CB 3.96Å; F115-E119 HydrophobicContact CE1-CG 4.19Å; F115-E119 WeakPolarHBondContact O-CB 3.4Å; F115-E119 PolarHBondContact O-N 3.15Å; E116-E119 PolarHBondContact O-N 2.91Å; E119-Y121 PolarHBondContact O-N 3.21Å; E119-N122 VanDerWaalsContact O-CB 3.31Å; E119-N122 WeakPolarHBondContact O-CB 3.46Å; E119-N122 PolarHBondContact O-N 2.88Å; E119-N122 PolarHBondContact O-ND2 2.8Å; E119-Y123 HydrophobicContact CG-CE2 3.88Å; E119-Y123 WeakPolarHBondContact O-CD2 3.41Å; E119-Y165 HydrophobicContact CG-CE2 4.1Å; E119-R239 WeakPolarHBondContact OE1-CG 3.36Å; E119-R239 IonicContact OE1-NE 2.64Å; E119-R239 PolarHBondContact OE1-NE 3.1Å; E119-R239 IonicContact OE2-CZ 3.35Å; E119-R239 IonicContact OE2-NE 3.39Å; E119-R239 PolarHBondContact OE2-NE 3.25Å; E119-R239 IonicContact OE2-NH2 3.98Å; E119-R239 PolarHBondContact OE2-NH2 2.8Å
120	I	96.2	Very high	95.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.8	-30.9	-173.2	-163.3	166.3	0	0	0	113.8	A104 V105 L112 E116 N118 N122 Y123 V126 Y165	A104-I120 HydrophobicContact CB-CD1 3.86Å; V105-I120 HydrophobicContact CG2-CD1 4.21Å; V105-I120 HydrophobicContact CG2-CG2 3.54Å; L112-I120 HydrophobicContact CD1-CD1 3.91Å; E116-I120 VanDerWaalsContact O-CB 3.24Å; E116-I120 WeakPolarHBondContact O-CB 3.07Å; E116-I120 WeakPolarHBondContact O-CG2 3.39Å; E116-I120 PolarHBondContact O-N 3.35Å; N118-I120 VanDerWaalsContact C-N 3.3Å; N118-I120 PolarHBondContact O-N 2.93Å; I120-N122 PolarHBondContact O-N 3.22Å; I120-Y123 PolarHBondContact O-N 3.5Å; I120-Y123 VanDerWaalsContact O-N 3.1Å; I120-V126 HydrophobicContact CD1-CG1 4.4Å; I120-V126 HydrophobicContact CD1-CG2 3.81Å; I120-V126 HydrophobicContact CG1-CG2 3.55Å; I120-Y165 HydrophobicContact CB-CE1 4.04Å; I120-Y165 HydrophobicContact CB-CE2 4.13Å; I120-Y165 HydrophobicContact CD1-CD1 4.14Å; I120-Y165 HydrophobicContact CD1-CE1 3.84Å; I120-Y165 HydrophobicContact CG1-CD1 4.1Å; I120-Y165 HydrophobicContact CG1-CD2 4.5Å; I120-Y165 HydrophobicContact CG1-CE1 3.79Å; I120-Y165 HydrophobicContact CG1-CE2 4.23Å; I120-Y165 HydrophobicContact CG1-CG 4.42Å; I120-Y165 PolarHBondContact N-OH 3.2Å
121	Y	95.5	Very high	95.5	Very high	113 Å²	113	47.1 Å²	47.1	44%	0.443	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-70.9	-12.7	178.8	-67	-75.8	0	0	0	113.6	P101 E102 V105 K117 E119 Y123	P101-Y121 HydrophobicContact CB-CD1 3.66Å; P101-Y121 HydrophobicContact CB-CE1 4.01Å; P101-Y121 HydrophobicContact CB-CG 4.38Å; E102-Y121 HydrophobicContact CG-CE1 4.22Å; V105-Y121 HydrophobicContact CG2-CE2 4.22Å; K117-Y121 WeakPolarHBondContact O-CD2 3.34Å; K117-Y121 WeakPolarHBondContact O-CE2 3.35Å; E119-Y121 PolarHBondContact O-N 3.21Å; Y121-Y123 PolarHBondContact O-N 3.2Å
122	N	94.4	Very high	95.4	Very high	86 Å²	86	49.9 Å²	49.9	46%	0.46	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-76.9	-6.2	171.4	-61.6	-44.4	0	0	0	112.9	E119 I120	E119-N122 VanDerWaalsContact O-CB 3.31Å; E119-N122 WeakPolarHBondContact O-CB 3.46Å; E119-N122 PolarHBondContact O-N 2.88Å; E119-N122 PolarHBondContact O-ND2 2.8Å; I120-N122 PolarHBondContact O-N 3.22Å
123	Y	94.5	Very high	95.4	Very high	6 Å²	6	50.2 Å²	50.2	2%	0.024	25%	0.252	C	S	.	.	S	Bend	trans	-114.1	124.5	-177.5	-62.3	-93.5	0	0	0	109.7	P101 E119 I120 Y121 R125 A164 Y165 F238	P101-Y123 WeakPolarHBondContact CG-O 3.27Å; E119-Y123 HydrophobicContact CG-CE2 3.88Å; E119-Y123 WeakPolarHBondContact O-CD2 3.41Å; I120-Y123 PolarHBondContact O-N 3.5Å; I120-Y123 VanDerWaalsContact O-N 3.1Å; Y121-Y123 PolarHBondContact O-N 3.2Å; Y123-R125 PolarHBondContact O-N 2.78Å; Y123-A164 HydrophobicContact CD1-CB 4.36Å; Y123-A164 HydrophobicContact CE1-CB 3.62Å; Y123-Y165 HydrophobicContact CD1-CD2 4.22Å; Y123-Y165 AromaticContact CD2-CD2 3.36Å; Y123-Y165 HydrophobicContact CD2-CD2 3.36Å; Y123-Y165 AromaticContact CD2-CE2 3.49Å; Y123-Y165 HydrophobicContact CD2-CE2 3.49Å; Y123-Y165 VanDerWaalsContact CD2-CE2 3.49Å; Y123-Y165 HydrophobicContact CE1-CD2 4.44Å; Y123-Y165 AromaticContact CE2-CD2 3.64Å; Y123-Y165 HydrophobicContact CE2-CD2 3.64Å; Y123-Y165 AromaticContact CE2-CE2 3.54Å; Y123-Y165 HydrophobicContact CE2-CE2 3.54Å; Y123-Y165 AromaticContact CG-CD2 3.69Å; Y123-Y165 HydrophobicContact CG-CD2 3.69Å; Y123-Y165 HydrophobicContact CG-CE2 4.29Å; Y123-F238 WeakPolarHBondContact OH-CD2 3.24Å
124	T	92.9	Very high	95.4	Very high	76 Å²	76	58.3 Å²	58.3	47%	0.466	29%	0.285	S	S	.	.	S	Bend	trans	-65.5	-25.9	-177.7	55.1	0	0	0	0	113.9	N71	N71-T124 PolarHBondContact ND2-OG1 3.42Å
125	R	94.8	Very high	95.5	Very high	102 Å²	102	55.2 Å²	55.2	39%	0.385	26%	0.261	S	S	.	.			trans	-142.9	140.1	-177	-69.4	-66.5	-177.5	163.8	-4.9	109.9	S97 G98 F99 Y123 F127	S97-R125 PolarHBondContact O-NH1 2.9Å; G98-R125 PolarHBondContact O-NH1 2.86Å; F99-R125 WeakPolarHBondContact O-CA 3.37Å; Y123-R125 PolarHBondContact O-N 2.78Å; R125-F127 HydrophobicContact CB-CD2 4.46Å; R125-F127 HydrophobicContact CB-CE2 3.61Å; R125-F127 HydrophobicContact CB-CZ 3.65Å; R125-F127 HydrophobicContact CG-CZ 4.32Å
126	V	96.8	Very high	95.3	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-116.7	114.8	178.8	173	0	0	0	0	108.4	G98 F99 A104 I120 V129 Y165	G98-V126 CarbonylContact C-O 3.52Å; G98-V126 WeakPolarHBondContact CA-O 3.18Å; F99-V126 HydrophobicContact CB-CB 4.39Å; F99-V126 PolarHBondContact N-O 3.18Å; F99-V126 PolarHBondContact O-N 3.32Å; A104-V126 HydrophobicContact CB-CB 3.83Å; A104-V126 HydrophobicContact CB-CG1 3.76Å; A104-V126 HydrophobicContact CB-CG2 3.96Å; I120-V126 HydrophobicContact CD1-CG1 4.4Å; I120-V126 HydrophobicContact CD1-CG2 3.81Å; I120-V126 HydrophobicContact CG1-CG2 3.55Å; V126-V129 HydrophobicContact CG1-CG1 3.51Å; V126-Y165 HydrophobicContact CG1-CD1 4.3Å; V126-Y165 HydrophobicContact CG2-CG 4.38Å
127	F	97.5	Very high	94.9	Very high	27 Å²	27	60 Å²	60	12%	0.118	30%	0.297	C	S	.	.	S	Bend	trans	-102.7	-28.9	179.6	-54	-89	0	0	0	112	N96 R125 Y165 R166 H187 K188	N96-F127 VanDerWaalsContact O-CE1 3.27Å; N96-F127 WeakPolarHBondContact O-CE1 3.39Å; R125-F127 HydrophobicContact CB-CD2 4.46Å; R125-F127 HydrophobicContact CB-CE2 3.61Å; R125-F127 HydrophobicContact CB-CZ 3.65Å; R125-F127 HydrophobicContact CG-CZ 4.32Å; F127-Y165 PolarHBondContact N-O 3.4Å; F127-R166 HydrophobicContact CD2-CB 4.04Å; F127-R166 HydrophobicContact CD2-CG 4.05Å; F127-H187 HydrophobicContact CB-CB 3.85Å; F127-K188 HydrophobicContact CD1-CB 3.91Å; F127-K188 HydrophobicContact CD1-CG 4.25Å; F127-K188 HydrophobicContact CD2-CB 4.27Å; F127-K188 HydrophobicContact CE1-CB 3.89Å; F127-K188 HydrophobicContact CE1-CD 4.4Å; F127-K188 HydrophobicContact CE1-CG 3.71Å; F127-K188 HydrophobicContact CE2-CB 4.24Å; F127-K188 HydrophobicContact CE2-CD 4.26Å; F127-K188 HydrophobicContact CE2-CG 4.3Å; F127-K188 HydrophobicContact CG-CB 4.12Å; F127-K188 HydrophobicContact CZ-CB 4.05Å; F127-K188 HydrophobicContact CZ-CD 3.9Å; F127-K188 HydrophobicContact CZ-CG 3.73Å
128	F	98	Very high	94.5	Very high	36 Å²	36	56.2 Å²	56.2	16%	0.158	28%	0.284	C	S	.	.			trans	-153.7	132.9	-176.7	-177.5	-107.6	0	0	0	111.6	H160 H162 Y165 E168 H187	F128-H160 WeakPolarHBondContact CZ-O 3.36Å; F128-H162 HydrophobicContact CD1-CB 3.7Å; F128-H162 HydrophobicContact CE1-CB 4.2Å; F128-H162 WeakPolarHBondContact O-CB 3.32Å; F128-Y165 PolarHBondContact N-O 2.79Å; F128-Y165 CarbonylContact O-C 3.58Å; F128-Y165 WeakPolarHBondContact O-CA 3.33Å; F128-E168 HydrophobicContact CD1-CB 3.9Å; F128-E168 HydrophobicContact CD1-CG 4.47Å; F128-E168 HydrophobicContact CE1-CB 3.54Å; F128-E168 HydrophobicContact CE1-CG 3.62Å; F128-E168 HydrophobicContact CE2-CB 4.47Å; F128-E168 HydrophobicContact CE2-CG 4.42Å; F128-E168 HydrophobicContact CZ-CB 3.85Å; F128-E168 HydrophobicContact CZ-CG 3.58Å; F128-H187 HydrophobicContact CB-CB 4.04Å; F128-H187 AromaticContact CD2-CD2 3.71Å; F128-H187 AromaticContact CD2-CE1 3.51Å; F128-H187 AromaticContact CD2-NE2 3.29Å; F128-H187 VanDerWaalsContact CD2-NE2 3.29Å; F128-H187 WeakPolarHBondContact CD2-NE2 3.47Å; F128-H187 AromaticContact CE2-CE1 3.94Å; F128-H187 AromaticContact CE2-NE2 3.66Å; F128-H187 AromaticContact CG-CD2 3.56Å; F128-H187 AromaticContact CG-NE2 3.62Å
129	V	97.6	Very high	94.3	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.036	28%	0.284	C	S	.	.			trans	-115.1	-2.1	-177.9	-58.6	0	0	0	0	114	F108 L112 V126 S131 K135 H162 Y165	F108-V129 HydrophobicContact CB-CG1 4.47Å; F108-V129 HydrophobicContact CB-CG2 3.94Å; F108-V129 HydrophobicContact CD1-CG2 4.07Å; F108-V129 HydrophobicContact CD2-CG1 4.09Å; F108-V129 HydrophobicContact CD2-CG2 4.19Å; F108-V129 HydrophobicContact CG-CG1 4.41Å; F108-V129 HydrophobicContact CG-CG2 3.8Å; L112-V129 HydrophobicContact CD2-CB 3.97Å; L112-V129 HydrophobicContact CD2-CG1 4.23Å; V126-V129 HydrophobicContact CG1-CG1 3.51Å; V129-S131 VanDerWaalsContact CG2-OG 3.23Å; V129-S131 WeakPolarHBondContact CG2-OG 3.4Å; V129-K135 VanDerWaalsContact O-CE 3.26Å; V129-K135 WeakPolarHBondContact O-CE 3.32Å; V129-K135 PolarHBondContact O-NZ 3.09Å; V129-H162 PolarHBondContact O-CD2 2.91Å; V129-Y165 HydrophobicContact CG1-CD1 4.26Å
130	G	97.3	Very high	93.8	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.01	31%	0.311	C	S	.	.			trans	63.4	41.9	179.9	0	0	0	0	0	114.5	H132 A133 K135 H160	G130-H132 PolarHBondContact O-N 3Å; G130-A133 WeakPolarHBondContact O-CB 3.31Å; G130-A133 PolarHBondContact O-N 2.95Å; G130-K135 WeakPolarHBondContact O-CE 3.47Å; G130-H160 WeakPolarHBondContact CA-O 3.4Å
131	S	95.9	Very high	93.2	Very high	34 Å²	34	64.9 Å²	64.9	24%	0.238	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.3	-172	-58.9	0	0	0	0	116.2	V129	V129-S131 VanDerWaalsContact CG2-OG 3.23Å; V129-S131 WeakPolarHBondContact CG2-OG 3.4Å
132	H	94.6	Very high	92.9	Very high	176 Å²	176	60.9 Å²	60.9	82%	0.815	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-2	-178.1	-57.6	-65.6	0	0	0	113.2	G130	G130-H132 PolarHBondContact O-N 3Å
133	A	96.1	Very high	92.7	Very high	17 Å²	17	60.5 Å²	60.5	14%	0.14	36%	0.355	C	S	.	.	S	Bend	trans	-74.7	146.7	-179.8	0	0	0	0	0	111.6	G130 K135 V158 D161	G130-A133 WeakPolarHBondContact O-CB 3.31Å; G130-A133 PolarHBondContact O-N 2.95Å; A133-K135 VanDerWaalsContact C-N 3.25Å; A133-K135 HydrophobicContact CB-CG 4.23Å; A133-K135 PolarHBondContact O-N 2.65Å; A133-V158 HydrophobicContact CB-CG1 4.08Å; A133-D161 HydrophobicContact CB-CB 3.66Å
134	K	95.3	Very high	92.6	Very high	193 Å²	193	64 Å²	64	84%	0.839	37%	0.374	S	S	*	.			trans	-80.8	74.6	171.3	-66.1	-177	179.8	-178.6	0	109.6	V158	K134-V158 WeakPolarHBondContact O-CG1 3.39Å
135	K	94.6	Very high	92.7	Very high	33 Å²	33	62 Å²	62	14%	0.143	36%	0.36	C	S	.	.			trans	-62.8	144.7	-170.9	-66.8	171.7	173.9	-71.3	0	113.2	V113 E116 V129 G130 A133 D161 H162	V113-K135 HydrophobicContact CG1-CB 3.75Å; V113-K135 HydrophobicContact CG1-CD 4.04Å; E116-K135 IonicContact OE1-NZ 3.94Å; E116-K135 PolarHBondContact OE1-NZ 2.72Å; E116-K135 WeakPolarHBondContact OE2-CD 2.94Å; E116-K135 WeakPolarHBondContact OE2-CE 3.49Å; E116-K135 IonicContact OE2-NZ 3.34Å; E116-K135 PolarHBondContact OE2-NZ 3.25Å; V129-K135 VanDerWaalsContact O-CE 3.26Å; V129-K135 WeakPolarHBondContact O-CE 3.32Å; V129-K135 PolarHBondContact O-NZ 3.09Å; G130-K135 WeakPolarHBondContact O-CE 3.47Å; A133-K135 VanDerWaalsContact C-N 3.25Å; A133-K135 HydrophobicContact CB-CG 4.23Å; A133-K135 PolarHBondContact O-N 2.65Å; K135-D161 IonicContact NZ-OD1 3.52Å; K135-D161 PolarHBondContact NZ-OD1 2.86Å; K135-H162 PolarHBondContact NZ-CD2 2.92Å
136	Q	91.1	Very high	92.6	Very high	67 Å²	67	57.6 Å²	57.6	31%	0.313	35%	0.346	S	S	.	.			trans	-72.9	129	167.7	-162.5	94.8	-7.9	0	0	109.5	G138 G147 Y148	Q136-G138 PolarHBondContact O-N 2.95Å; Q136-G138 VanDerWaalsContact O-N 3.11Å; Q136-G147 PolarHBondContact NE2-O 2.95Å; Q136-Y148 HydrophobicContact CB-CD1 4.18Å; Q136-Y148 HydrophobicContact CB-CE1 3.94Å; Q136-Y148 HydrophobicContact CG-CD1 4.33Å; Q136-Y148 HydrophobicContact CG-CE1 4.39Å
137	A	88.3	Confident	92.5	Very high	74 Å²	74	58.6 Å²	58.6	61%	0.612	36%	0.357	S	S	*	.			trans	-83.6	81.1	173.9	0	0	0	0	0	110.2
138	G	85.9	Confident	92.4	Very high	11 Å²	11	57.5 Å²	57.5	11%	0.113	35%	0.352	C	S	.	.			trans	-65.7	146	-178.1	0	0	0	0	0	113.6	Q136 G146 Y148	Q136-G138 PolarHBondContact O-N 2.95Å; Q136-G138 VanDerWaalsContact O-N 3.11Å; G138-G146 CarbonylContact C-O 3.53Å; G138-G146 WeakPolarHBondContact CA-O 3.38Å; G138-Y148 PolarHBondContact N-OH 3.02Å
139	V	87.6	Confident	92.4	Very high	94 Å²	94	56.1 Å²	56.1	57%	0.57	35%	0.346	S	S	*	.			trans	-116.2	118.8	178.2	-177.5	0	0	0	0	109.6	G141 G142 G146	V139-G141 PolarHBondContact O-N 3.41Å; V139-G142 PolarHBondContact O-N 2.87Å; V139-G146 PolarHBondContact N-O 2.76Å; V139-G146 WeakPolarHBondContact O-CA 3.4Å
140	I	84.4	Confident	92.3	Very high	125 Å²	125	58.3 Å²	58.3	64%	0.641	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	127.8	-179.6	-60.8	172.6	0	0	0	109.8	F115 G142	F115-I140 HydrophobicContact CD2-CD1 4.44Å; F115-I140 HydrophobicContact CD2-CG1 3.64Å; F115-I140 HydrophobicContact CE2-CG1 3.64Å; I140-G142 PolarHBondContact O-N 2.91Å
141	G	84.6	Confident	92.1	Very high	84 Å²	84	67 Å²	67	87%	0.866	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	0.3	-179.4	0	0	0	0	0	115.1	V139	V139-G141 PolarHBondContact O-N 3.41Å
142	G	88	Confident	91.9	Very high	30 Å²	30	70 Å²	70	31%	0.309	41%	0.412	S	S	.	.			trans	-67	163.6	174.7	0	0	0	0	0	112.9	V139 I140 G146	V139-G142 PolarHBondContact O-N 2.87Å; I140-G142 PolarHBondContact O-N 2.91Å; G142-G146 PolarHBondContact O-N 3.41Å
143	A	91.1	Very high	92	Very high	78 Å²	78	62.2 Å²	62.2	65%	0.645	38%	0.379	S	S	*	.	H	α-helix	trans	-56.1	156.7	174.3	0	0	0	0	0	111.8	N145 G146 G147	A143-N145 PolarHBondContact O-N 2.82Å; A143-G146 PolarHBondContact O-N 2.93Å; A143-G146 VanDerWaalsContact O-N 3.16Å; A143-G147 PolarHBondContact O-N 2.97Å
144	N	93.2	Very high	92	Very high	80 Å²	80	62.1 Å²	62.1	43%	0.428	38%	0.377	S	S	.	.	H	α-helix	trans	52.2	50.8	177.7	-59.6	79.8	0	0	0	112.8	G146 G147 Y148 D149 D150	N144-G146 VanDerWaalsContact C-N 3.34Å; N144-G146 PolarHBondContact O-N 2.74Å; N144-G147 CarbonylContact O-C 3.56Å; N144-G147 WeakPolarHBondContact O-CA 3.32Å; N144-G147 PolarHBondContact O-N 3.04Å; N144-Y148 PolarHBondContact O-N 3.24Å; N144-D149 WeakPolarHBondContact CB-O 3.46Å; N144-D149 PolarHBondContact O-N 3.44Å; N144-D150 PolarHBondContact ND2-O 3.39Å
145	N	94.5	Very high	92.1	Very high	33 Å²	33	53.4 Å²	53.4	18%	0.176	34%	0.339	C	S	.	.	H	α-helix	trans	56.9	46.3	-178.6	-172.4	29.2	0	0	0	112.1	A143 G147 Y148 D149 R239 N240	A143-N145 PolarHBondContact O-N 2.82Å; N145-G147 PolarHBondContact O-N 3Å; N145-Y148 WeakPolarHBondContact O-CD2 3.26Å; N145-Y148 PolarHBondContact O-N 2.62Å; N145-D149 HydrophobicContact CB-CB 3.96Å; N145-D149 WeakPolarHBondContact CB-OD1 3.16Å; N145-D149 VanDerWaalsContact CB-OD2 3.24Å; N145-D149 WeakPolarHBondContact CB-OD2 3.44Å; N145-D149 PolarHBondContact ND2-OD1 2.79Å; N145-D149 PolarHBondContact ND2-OD2 2.7Å; N145-R239 PolarHBondContact ND2-O 3.06Å; N145-N240 PolarHBondContact OD1-ND2 2.73Å
146	G	92.1	Very high	92.2	Very high	9 Å²	9	55.4 Å²	55.4	9%	0.093	35%	0.349	C	S	.	.	H	α-helix	trans	66.2	23.5	-175.8	0	0	0	0	0	114.4	G138 V139 G142 A143 N144	G138-G146 CarbonylContact C-O 3.53Å; G138-G146 WeakPolarHBondContact CA-O 3.38Å; V139-G146 PolarHBondContact N-O 2.76Å; V139-G146 WeakPolarHBondContact O-CA 3.4Å; G142-G146 PolarHBondContact O-N 3.41Å; A143-G146 PolarHBondContact O-N 2.93Å; A143-G146 VanDerWaalsContact O-N 3.16Å; N144-G146 VanDerWaalsContact C-N 3.34Å; N144-G146 PolarHBondContact O-N 2.74Å
147	G	94.6	Very high	92.4	Very high	23 Å²	23	54.1 Å²	54.1	24%	0.237	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	4.3	-176.4	0	0	0	0	0	114.7	Q136 A143 N144 N145 Q156	Q136-G147 PolarHBondContact NE2-O 2.95Å; A143-G147 PolarHBondContact O-N 2.97Å; N144-G147 CarbonylContact O-C 3.56Å; N144-G147 WeakPolarHBondContact O-CA 3.32Å; N144-G147 PolarHBondContact O-N 3.04Å; N145-G147 PolarHBondContact O-N 3Å; G147-Q156 PolarHBondContact O-NE2 2.94Å
148	Y	96.6	Very high	92.9	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.012	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-18.9	176.4	-72.3	-63.7	0	0	0	113.8	F115 Q136 G138 N144 N145 Y155 Q156	F115-Y148 AromaticContact CD1-CE2 3.84Å; F115-Y148 HydrophobicContact CD1-CE2 3.84Å; F115-Y148 AromaticContact CD1-CZ 3.87Å; F115-Y148 WeakPolarHBondContact CD1-OH 3.48Å; F115-Y148 HydrophobicContact CD2-CE2 4.15Å; F115-Y148 AromaticContact CE1-CE2 3.73Å; F115-Y148 HydrophobicContact CE1-CE2 3.73Å; F115-Y148 HydrophobicContact CE2-CE2 4.06Å; F115-Y148 HydrophobicContact CG-CE2 4.05Å; F115-Y148 WeakPolarHBondContact CG-OH 3.34Å; F115-Y148 AromaticContact CZ-CE2 3.85Å; F115-Y148 HydrophobicContact CZ-CE2 3.85Å; Q136-Y148 HydrophobicContact CB-CD1 4.18Å; Q136-Y148 HydrophobicContact CB-CE1 3.94Å; Q136-Y148 HydrophobicContact CG-CD1 4.33Å; Q136-Y148 HydrophobicContact CG-CE1 4.39Å; G138-Y148 PolarHBondContact N-OH 3.02Å; N144-Y148 PolarHBondContact O-N 3.24Å; N145-Y148 WeakPolarHBondContact O-CD2 3.26Å; N145-Y148 PolarHBondContact O-N 2.62Å; Y148-Y155 HydrophobicContact CD1-CE2 4.11Å; Y148-Y155 HydrophobicContact CG-CE2 4.21Å; Y148-Q156 WeakPolarHBondContact O-CB 3.38Å; Y148-Q156 WeakPolarHBondContact O-CG 3.26Å; Y148-Q156 PolarHBondContact O-N 3.31Å
149	D	97.1	Very high	93.4	Very high	7 Å²	7	55 Å²	55	4%	0.037	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-106.8	153	-177.9	-63.1	7.4	0	0	0	110.5	N144 N145 S154 Q156 N200 H241	N144-D149 WeakPolarHBondContact CB-O 3.46Å; N144-D149 PolarHBondContact O-N 3.44Å; N145-D149 HydrophobicContact CB-CB 3.96Å; N145-D149 WeakPolarHBondContact CB-OD1 3.16Å; N145-D149 VanDerWaalsContact CB-OD2 3.24Å; N145-D149 WeakPolarHBondContact CB-OD2 3.44Å; N145-D149 PolarHBondContact ND2-OD1 2.79Å; N145-D149 PolarHBondContact ND2-OD2 2.7Å; D149-S154 CarbonylContact C-O 3.57Å; D149-S154 WeakPolarHBondContact CA-O 3.38Å; D149-Q156 PolarHBondContact O-NE2 2.93Å; D149-N200 VanDerWaalsContact OD2-CB 3.32Å; D149-N200 WeakPolarHBondContact OD2-CB 3.39Å; D149-N200 PolarHBondContact OD2-ND2 2.82Å; D149-H241 IonicContact OD1-CD2 3.33Å; D149-H241 IonicContact OD1-CE1 3.66Å; D149-H241 IonicContact OD1-NE2 3.68Å; D149-H241 PolarHBondContact OD1-NE2 3.03Å; D149-H241 IonicContact OD2-CE1 2.79Å; D149-H241 IonicContact OD2-NE2 3.38Å
150	D	94.6	Very high	93.9	Very high	52 Å²	52	55.1 Å²	55.1	28%	0.278	33%	0.333	S	S	.	.			trans	-75.8	-179	164.2	67.1	11.1	0	0	0	111.4	N144 N152 G153 S154 Q156	N144-D150 PolarHBondContact ND2-O 3.39Å; D150-N152 PolarHBondContact O-N 3.04Å; D150-N152 VanDerWaalsContact O-N 3.09Å; D150-N152 VanDerWaalsContact OD1-C 3.31Å; D150-N152 VanDerWaalsContact OD1-CA 3.26Å; D150-N152 WeakPolarHBondContact OD1-CA 3.48Å; D150-N152 WeakPolarHBondContact OD1-CB 3.25Å; D150-N152 PolarHBondContact OD1-N 3.21Å; D150-G153 PolarHBondContact O-N 3.48Å; D150-G153 PolarHBondContact OD1-N 3.31Å; D150-S154 PolarHBondContact N-O 3.41Å; D150-S154 WeakPolarHBondContact OD1-CB 3.41Å; D150-S154 PolarHBondContact OD1-N 2.8Å; D150-S154 WeakPolarHBondContact OD2-CB 3.47Å; D150-Q156 HydrophobicContact CB-CG 4.38Å
151	E	93.9	Very high	94.6	Very high	185 Å²	185	49.4 Å²	49.4	86%	0.864	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.3	176.3	-63.5	178.1	-179	0	0	113.2
152	N	92.8	Very high	95.3	Very high	96 Å²	96	45.4 Å²	45.4	51%	0.513	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.4	-179.8	-82.2	-45	0	0	0	111.3	D150 R199	D150-N152 PolarHBondContact O-N 3.04Å; D150-N152 VanDerWaalsContact O-N 3.09Å; D150-N152 VanDerWaalsContact OD1-C 3.31Å; D150-N152 VanDerWaalsContact OD1-CA 3.26Å; D150-N152 WeakPolarHBondContact OD1-CA 3.48Å; D150-N152 WeakPolarHBondContact OD1-CB 3.25Å; D150-N152 PolarHBondContact OD1-N 3.21Å; N152-R199 PolarHBondContact O-NE 3.33Å; N152-R199 PolarHBondContact O-NH2 3.13Å; N152-R199 PolarHBondContact OD1-NH2 3.49Å; N152-R199 VanDerWaalsContact OD1-NH2 3.12Å
153	G	94.8	Very high	95.7	Very high	12 Å²	12	44 Å²	44	12%	0.124	25%	0.248	C	C	.	.	S	Bend	trans	82	17.3	-172.8	0	0	0	0	0	113.2	D150 R199 N200 H241	D150-G153 PolarHBondContact O-N 3.48Å; D150-G153 PolarHBondContact OD1-N 3.31Å; G153-R199 VanDerWaalsContact O-CG 3.24Å; G153-R199 WeakPolarHBondContact O-CG 3.33Å; G153-N200 PolarHBondContact O-N 3.28Å; G153-H241 PolarHBondContact O-CE1 2.76Å
154	S	96.2	Very high	96.1	Very high	15 Å²	15	40.4 Å²	40.4	11%	0.105	22%	0.219	C	C	.	.			trans	-87.4	138	168.8	-54.6	0	0	0	0	109.8	D149 D150 Q156	D149-S154 CarbonylContact C-O 3.57Å; D149-S154 WeakPolarHBondContact CA-O 3.38Å; D150-S154 PolarHBondContact N-O 3.41Å; D150-S154 WeakPolarHBondContact OD1-CB 3.41Å; D150-S154 PolarHBondContact OD1-N 2.8Å; D150-S154 WeakPolarHBondContact OD2-CB 3.47Å; S154-Q156 PolarHBondContact O-N 2.88Å
155	Y	97.4	Very high	96.3	Very high	11 Å²	11	36.6 Å²	36.6	4%	0.043	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-61.9	132.2	177.6	-168.5	-101.9	0	0	0	111.5	Y148 L157 I163 L197 F238 R239 H241	Y148-Y155 HydrophobicContact CD1-CE2 4.11Å; Y148-Y155 HydrophobicContact CG-CE2 4.21Å; Y155-L157 HydrophobicContact CD1-CD2 3.85Å; Y155-L157 HydrophobicContact CD1-CG 4.3Å; Y155-L157 HydrophobicContact CE1-CD2 4.3Å; Y155-L157 PolarHBondContact O-N 3Å; Y155-I163 HydrophobicContact CE1-CD1 3.93Å; Y155-L197 HydrophobicContact CD1-CD2 3.89Å; Y155-L197 HydrophobicContact CG-CD2 4.08Å; Y155-F238 HydrophobicContact CE1-CE1 4.49Å; Y155-F238 HydrophobicContact CE2-CE1 4.18Å; Y155-F238 AromaticContact CZ-CE1 3.81Å; Y155-F238 WeakPolarHBondContact OH-CE1 3.31Å; Y155-R239 HydrophobicContact CE2-CB 4.12Å; Y155-R239 PolarHBondContact OH-NH1 2.94Å; Y155-H241 WeakPolarHBondContact CB-NE2 3.36Å; Y155-H241 AromaticContact CD2-CD2 3.47Å; Y155-H241 VanDerWaalsContact CD2-CD2 3.47Å; Y155-H241 WeakPolarHBondContact CD2-CD2 3.27Å; Y155-H241 AromaticContact CD2-NE2 3.51Å; Y155-H241 AromaticContact CG-NE2 3.97Å; Y155-H241 PolarHBondContact N-CE1 2.9Å
156	Q	96.8	Very high	96.5	Very high	75 Å²	75	35.4 Å²	35.4	35%	0.35	19%	0.191	S	C	.	.			trans	-80.7	94.9	175.8	-63.2	-168.3	64.1	0	0	109.9	G147 Y148 D149 D150 S154	G147-Q156 PolarHBondContact O-NE2 2.94Å; Y148-Q156 WeakPolarHBondContact O-CB 3.38Å; Y148-Q156 WeakPolarHBondContact O-CG 3.26Å; Y148-Q156 PolarHBondContact O-N 3.31Å; D149-Q156 PolarHBondContact O-NE2 2.93Å; D150-Q156 HydrophobicContact CB-CG 4.38Å; S154-Q156 PolarHBondContact O-N 2.88Å
157	L	96.6	Very high	96.8	Very high	39 Å²	39	35 Å²	35	20%	0.204	19%	0.187	C	C	.	.			trans	-69	133.2	-179.3	-68.9	170.6	0	0	0	112.4	Y155 V169 V172 I182 L197	Y155-L157 HydrophobicContact CD1-CD2 3.85Å; Y155-L157 HydrophobicContact CD1-CG 4.3Å; Y155-L157 HydrophobicContact CE1-CD2 4.3Å; Y155-L157 PolarHBondContact O-N 3Å; L157-V169 HydrophobicContact CD2-CG1 4.21Å; L157-V169 HydrophobicContact CD2-CG2 4.33Å; L157-V172 HydrophobicContact CD1-CG2 3.61Å; L157-I182 HydrophobicContact CD1-CG2 3.32Å; L157-I182 HydrophobicContact CD2-CD1 4.37Å; L157-I182 HydrophobicContact CD2-CG2 4.1Å; L157-I182 HydrophobicContact CG-CG2 4.38Å; L157-L197 HydrophobicContact CD2-CD1 4.1Å; L157-L197 HydrophobicContact CD2-CD2 4.25Å
158	V	97.6	Very high	97	Very high	25 Å²	25	35.5 Å²	35.5	15%	0.152	18%	0.183	C	C	.	.			trans	-111.3	122.7	168.7	179.2	0	0	0	0	108.3	A133 K134 D161 V169	A133-V158 HydrophobicContact CB-CG1 4.08Å; K134-V158 WeakPolarHBondContact O-CG1 3.39Å; V158-D161 HydrophobicContact CB-CB 3.79Å; V158-D161 HydrophobicContact CG1-CB 4.03Å; V158-D161 VanDerWaalsContact O-CB 3.28Å; V158-D161 WeakPolarHBondContact O-CB 3.33Å; V158-D161 PolarHBondContact O-N 2.88Å; V158-D161 VanDerWaalsContact O-N 3.16Å; V158-V169 WeakPolarHBondContact O-CB 3.18Å
159	V	97.7	Very high	97.1	Very high	80 Å²	80	35.5 Å²	35.5	49%	0.485	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	138.7	178.6	-175.2	0	0	0	0	109.6	D161 L170	V159-D161 PolarHBondContact O-N 3.29Å; V159-L170 WeakPolarHBondContact CG1-O 3.49Å
160	H	98.1	Very high	97.1	Very high	95 Å²	95	37.3 Å²	37.3	44%	0.44	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	5.6	-171.6	-55.3	-63.9	0	0	0	115.7	F128 G130 E168 V169	F128-H160 WeakPolarHBondContact CZ-O 3.36Å; G130-H160 WeakPolarHBondContact CA-O 3.4Å; H160-E168 IonicContact CE1-OE1 3.47Å; H160-E168 IonicContact CG-OE1 2.87Å; H160-E168 IonicContact ND1-OE1 2.8Å; H160-E168 PolarHBondContact ND1-OE1 3.18Å; H160-V169 WeakPolarHBondContact CA-O 3.23Å; H160-V169 PolarHBondContact N-O 2.79Å
161	D	98.4	Very high	97.3	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.027	21%	0.209	C	C	.	.			trans	-80.2	168.3	170.1	-156.9	7.4	0	0	0	111.4	A133 K135 V158 V159 V169	A133-D161 HydrophobicContact CB-CB 3.66Å; K135-D161 IonicContact NZ-OD1 3.52Å; K135-D161 PolarHBondContact NZ-OD1 2.86Å; V158-D161 HydrophobicContact CB-CB 3.79Å; V158-D161 HydrophobicContact CG1-CB 4.03Å; V158-D161 VanDerWaalsContact O-CB 3.28Å; V158-D161 WeakPolarHBondContact O-CB 3.33Å; V158-D161 PolarHBondContact O-N 2.88Å; V158-D161 VanDerWaalsContact O-N 3.16Å; V159-D161 PolarHBondContact O-N 3.29Å; D161-V169 WeakPolarHBondContact O-CG2 3.44Å; D161-V169 PolarHBondContact O-N 2.76Å
162	H	98.3	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	149.4	178.7	77.1	78	0	0	0	112.7	E116 F128 V129 K135 Y165 Y167	E116-H162 IonicContact OE1-CD2 3.42Å; E116-H162 IonicContact OE1-NE2 3.97Å; E116-H162 PolarHBondContact OE1-NE2 2.82Å; F128-H162 HydrophobicContact CD1-CB 3.7Å; F128-H162 HydrophobicContact CE1-CB 4.2Å; F128-H162 WeakPolarHBondContact O-CB 3.32Å; V129-H162 PolarHBondContact O-CD2 2.91Å; K135-H162 PolarHBondContact NZ-CD2 2.92Å; H162-Y165 AromaticContact CE1-CD1 3.58Å; H162-Y165 AromaticContact CE1-CD2 3.93Å; H162-Y165 AromaticContact CE1-CE1 3.41Å; H162-Y165 VanDerWaalsContact CE1-CE1 3.41Å; H162-Y165 WeakPolarHBondContact CE1-CE1 3.49Å; H162-Y165 AromaticContact CE1-CE2 3.75Å; H162-Y165 AromaticContact CE1-CG 3.85Å; H162-Y165 AromaticContact CE1-CZ 3.5Å; H162-Y165 AromaticContact ND1-CD1 3.95Å; H162-Y165 PolarHBondContact ND1-N 2.99Å; H162-Y165 AromaticContact NE2-CD1 3.61Å; H162-Y165 AromaticContact NE2-CE1 3.25Å; H162-Y165 WeakPolarHBondContact NE2-CE1 3.34Å; H162-Y165 AromaticContact NE2-CZ 3.69Å; H162-Y167 CarbonylContact C-O 3.59Å; H162-Y167 WeakPolarHBondContact CA-O 3.42Å
163	I	98.4	Very high	97.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.6	157.1	-57.5	-61	0	0	0	107.2	Y155 Y165 R166 Y167 V169 I182 L195 L197 F236 F238	Y155-I163 HydrophobicContact CE1-CD1 3.93Å; I163-Y165 PolarHBondContact O-N 3.41Å; I163-Y165 VanDerWaalsContact O-N 3.13Å; I163-R166 PolarHBondContact O-N 3.41Å; I163-R166 VanDerWaalsContact O-N 3.14Å; I163-Y167 PolarHBondContact N-O 3.14Å; I163-Y167 PolarHBondContact O-N 3.21Å; I163-V169 HydrophobicContact CD1-CG2 4.15Å; I163-V169 HydrophobicContact CG1-CG2 3.75Å; I163-I182 HydrophobicContact CG1-CD1 4.47Å; I163-L195 HydrophobicContact CB-CD1 4.26Å; I163-L195 HydrophobicContact CG2-CD1 4.05Å; I163-L197 HydrophobicContact CD1-CD2 4.01Å; I163-F236 HydrophobicContact CG2-CE2 3.84Å; I163-F236 HydrophobicContact CG2-CZ 4.04Å; I163-F238 HydrophobicContact CB-CD1 4.44Å; I163-F238 HydrophobicContact CB-CE1 4.47Å; I163-F238 HydrophobicContact CD1-CD1 3.8Å; I163-F238 HydrophobicContact CD1-CE1 3.49Å; I163-F238 VanDerWaalsContact CD1-CE1 3.49Å; I163-F238 HydrophobicContact CD1-CZ 4.4Å; I163-F238 HydrophobicContact CG2-CB 4.18Å; I163-F238 HydrophobicContact CG2-CD1 3.77Å; I163-F238 HydrophobicContact CG2-CE1 4.27Å; I163-F238 HydrophobicContact CG2-CG 3.92Å
164	A	97.8	Very high	97.4	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	37.7	178.3	0	0	0	0	0	114.4	P69 Y123 R166 F236 F238	P69-A164 HydrophobicContact CG-CB 3.55Å; Y123-A164 HydrophobicContact CD1-CB 4.36Å; Y123-A164 HydrophobicContact CE1-CB 3.62Å; A164-R166 PolarHBondContact O-N 3.12Å; A164-F236 HydrophobicContact CB-CD2 3.89Å; A164-F236 HydrophobicContact CB-CE2 3.47Å; A164-F236 VanDerWaalsContact CB-CE2 3.47Å; A164-F236 HydrophobicContact CB-CZ 4.09Å; A164-F238 HydrophobicContact CB-CD2 4.06Å
165	Y	98.1	Very high	97.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	26.9	-178.8	-59.9	-83.6	0	0	0	115.3	E116 E119 I120 Y123 V126 F127 F128 V129 H162 I163	E116-Y165 WeakPolarHBondContact CA-OH 3.26Å; E116-Y165 WeakPolarHBondContact CB-OH 3.48Å; E116-Y165 PolarHBondContact O-OH 2.81Å; E116-Y165 VanDerWaalsContact O-OH 3.07Å; E119-Y165 HydrophobicContact CG-CE2 4.1Å; I120-Y165 HydrophobicContact CB-CE1 4.04Å; I120-Y165 HydrophobicContact CB-CE2 4.13Å; I120-Y165 HydrophobicContact CD1-CD1 4.14Å; I120-Y165 HydrophobicContact CD1-CE1 3.84Å; I120-Y165 HydrophobicContact CG1-CD1 4.1Å; I120-Y165 HydrophobicContact CG1-CD2 4.5Å; I120-Y165 HydrophobicContact CG1-CE1 3.79Å; I120-Y165 HydrophobicContact CG1-CE2 4.23Å; I120-Y165 HydrophobicContact CG1-CG 4.42Å; I120-Y165 PolarHBondContact N-OH 3.2Å; Y123-Y165 HydrophobicContact CD1-CD2 4.22Å; Y123-Y165 AromaticContact CD2-CD2 3.36Å; Y123-Y165 HydrophobicContact CD2-CD2 3.36Å; Y123-Y165 AromaticContact CD2-CE2 3.49Å; Y123-Y165 HydrophobicContact CD2-CE2 3.49Å; Y123-Y165 VanDerWaalsContact CD2-CE2 3.49Å; Y123-Y165 HydrophobicContact CE1-CD2 4.44Å; Y123-Y165 AromaticContact CE2-CD2 3.64Å; Y123-Y165 HydrophobicContact CE2-CD2 3.64Å; Y123-Y165 AromaticContact CE2-CE2 3.54Å; Y123-Y165 HydrophobicContact CE2-CE2 3.54Å; Y123-Y165 AromaticContact CG-CD2 3.69Å; Y123-Y165 HydrophobicContact CG-CD2 3.69Å; Y123-Y165 HydrophobicContact CG-CE2 4.29Å; V126-Y165 HydrophobicContact CG1-CD1 4.3Å; V126-Y165 HydrophobicContact CG2-CG 4.38Å; F127-Y165 PolarHBondContact N-O 3.4Å; F128-Y165 PolarHBondContact N-O 2.79Å; F128-Y165 CarbonylContact O-C 3.58Å; F128-Y165 WeakPolarHBondContact O-CA 3.33Å; V129-Y165 HydrophobicContact CG1-CD1 4.26Å; H162-Y165 AromaticContact CE1-CD1 3.58Å; H162-Y165 AromaticContact CE1-CD2 3.93Å; H162-Y165 AromaticContact CE1-CE1 3.41Å; H162-Y165 VanDerWaalsContact CE1-CE1 3.41Å; H162-Y165 WeakPolarHBondContact CE1-CE1 3.49Å; H162-Y165 AromaticContact CE1-CE2 3.75Å; H162-Y165 AromaticContact CE1-CG 3.85Å; H162-Y165 AromaticContact CE1-CZ 3.5Å; H162-Y165 AromaticContact ND1-CD1 3.95Å; H162-Y165 PolarHBondContact ND1-N 2.99Å; H162-Y165 AromaticContact NE2-CD1 3.61Å; H162-Y165 AromaticContact NE2-CE1 3.25Å; H162-Y165 WeakPolarHBondContact NE2-CE1 3.34Å; H162-Y165 AromaticContact NE2-CZ 3.69Å; I163-Y165 PolarHBondContact O-N 3.41Å; I163-Y165 VanDerWaalsContact O-N 3.13Å
166	R	98.1	Very high	96.7	Very high	8 Å²	8	41.6 Å²	41.6	3%	0.03	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-44.9	-174	176.5	174	167.9	-163.3	-11.1	113.3	F127 I163 A164 D186 H187 K188 Y189 D234	F127-R166 HydrophobicContact CD2-CB 4.04Å; F127-R166 HydrophobicContact CD2-CG 4.05Å; I163-R166 PolarHBondContact O-N 3.41Å; I163-R166 VanDerWaalsContact O-N 3.14Å; A164-R166 PolarHBondContact O-N 3.12Å; R166-D186 WeakPolarHBondContact CG-OD1 3.39Å; R166-D186 IonicContact CZ-OD1 3.41Å; R166-D186 IonicContact CZ-OD2 3.33Å; R166-D186 IonicContact NE-OD1 2.97Å; R166-D186 PolarHBondContact NE-OD1 3.13Å; R166-D186 IonicContact NE-OD2 2.82Å; R166-D186 PolarHBondContact NE-OD2 3.04Å; R166-D186 IonicContact NH2-OD1 3.64Å; R166-D186 IonicContact NH2-OD2 3.07Å; R166-D186 PolarHBondContact NH2-OD2 3.31Å; R166-H187 WeakPolarHBondContact O-CB 3.44Å; R166-H187 PolarHBondContact O-N 2.9Å; R166-K188 HydrophobicContact CG-CB 4.2Å; R166-Y189 VanDerWaalsContact NH2-CD2 3.26Å; R166-D234 IonicContact CZ-OD2 3.44Å; R166-D234 IonicContact NH1-OD2 2.67Å; R166-D234 PolarHBondContact NH1-OD2 3.33Å
167	Y	98.6	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126	-173.6	-53.9	-84.1	0	0	0	110.1	P69 H162 I163 F185 D186 V193 L195 F236 T245	P69-Y167 HydrophobicContact CG-CE2 4.44Å; H162-Y167 CarbonylContact C-O 3.59Å; H162-Y167 WeakPolarHBondContact CA-O 3.42Å; I163-Y167 PolarHBondContact N-O 3.14Å; I163-Y167 PolarHBondContact O-N 3.21Å; Y167-F185 CarbonylContact C-O 3.59Å; Y167-F185 WeakPolarHBondContact CA-O 3.22Å; Y167-D186 HydrophobicContact CD1-CB 3.84Å; Y167-D186 HydrophobicContact CE1-CB 3.82Å; Y167-V193 HydrophobicContact CD1-CG2 3.94Å; Y167-V193 HydrophobicContact CE1-CG2 4.15Å; Y167-L195 HydrophobicContact CD1-CD1 4.24Å; Y167-L195 HydrophobicContact CD2-CD1 3.85Å; Y167-L195 HydrophobicContact CE2-CD1 4.49Å; Y167-L195 HydrophobicContact CG-CD1 3.69Å; Y167-F236 HydrophobicContact CD2-CE1 4.16Å; Y167-F236 AromaticContact CD2-CZ 3.75Å; Y167-F236 HydrophobicContact CD2-CZ 3.75Å; Y167-F236 HydrophobicContact CE2-CD1 4.45Å; Y167-F236 AromaticContact CE2-CE1 3.37Å; Y167-F236 HydrophobicContact CE2-CE1 3.37Å; Y167-F236 AromaticContact CE2-CZ 3.44Å; Y167-F236 HydrophobicContact CE2-CZ 3.44Å; Y167-F236 VanDerWaalsContact CE2-CZ 3.44Å; Y167-F236 AromaticContact CZ-CE1 3.98Å; Y167-T245 HydrophobicContact CD1-CG2 4.46Å; Y167-T245 HydrophobicContact CE1-CG2 3.83Å; Y167-T245 HydrophobicContact CE2-CG2 4.32Å
168	E	98.6	Very high	95.6	Very high	34 Å²	34	39.6 Å²	39.6	16%	0.159	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.3	172.7	178.9	-179.5	169.4	0	0	110.4	F128 H160 L170 A184 F185 H187	F128-E168 HydrophobicContact CD1-CB 3.9Å; F128-E168 HydrophobicContact CD1-CG 4.47Å; F128-E168 HydrophobicContact CE1-CB 3.54Å; F128-E168 HydrophobicContact CE1-CG 3.62Å; F128-E168 HydrophobicContact CE2-CB 4.47Å; F128-E168 HydrophobicContact CE2-CG 4.42Å; F128-E168 HydrophobicContact CZ-CB 3.85Å; F128-E168 HydrophobicContact CZ-CG 3.58Å; H160-E168 IonicContact CE1-OE1 3.47Å; H160-E168 IonicContact CG-OE1 2.87Å; H160-E168 IonicContact ND1-OE1 2.8Å; H160-E168 PolarHBondContact ND1-OE1 3.18Å; E168-L170 HydrophobicContact CG-CD2 3.99Å; E168-L170 PolarHBondContact O-N 2.91Å; E168-A184 CarbonylContact O-C 3.49Å; E168-A184 WeakPolarHBondContact O-CA 3.24Å; E168-A184 VanDerWaalsContact O-CB 3.26Å; E168-A184 WeakPolarHBondContact O-CB 3.45Å; E168-F185 HydrophobicContact CB-CB 4.34Å; E168-F185 PolarHBondContact N-O 3.39Å; E168-F185 PolarHBondContact O-N 2.81Å; E168-H187 IonicContact OE2-CE1 3.67Å; E168-H187 IonicContact OE2-NE2 3.04Å; E168-H187 PolarHBondContact OE2-NE2 2.94Å
169	V	98.5	Very high	95.4	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.4	176.6	-179.3	0	0	0	0	110.1	L157 V158 H160 D161 I163 I182	L157-V169 HydrophobicContact CD2-CG1 4.21Å; L157-V169 HydrophobicContact CD2-CG2 4.33Å; V158-V169 WeakPolarHBondContact O-CB 3.18Å; H160-V169 WeakPolarHBondContact CA-O 3.23Å; H160-V169 PolarHBondContact N-O 2.79Å; D161-V169 WeakPolarHBondContact O-CG2 3.44Å; D161-V169 PolarHBondContact O-N 2.76Å; I163-V169 HydrophobicContact CD1-CG2 4.15Å; I163-V169 HydrophobicContact CG1-CG2 3.75Å; V169-I182 HydrophobicContact CB-CD1 4.24Å; V169-I182 HydrophobicContact CG1-CD1 4.04Å; V169-I182 HydrophobicContact CG2-CD1 3.8Å
170	L	98.3	Very high	95.3	Very high	45 Å²	45	35.8 Å²	35.8	24%	0.236	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-54.6	179.2	-58.8	175.2	0	0	0	112.9	V159 E168 K183 F185 Y192	V159-L170 WeakPolarHBondContact CG1-O 3.49Å; E168-L170 HydrophobicContact CG-CD2 3.99Å; E168-L170 PolarHBondContact O-N 2.91Å; L170-K183 WeakPolarHBondContact CB-O 3.28Å; L170-K183 HydrophobicContact CD1-CG 4.4Å; L170-K183 PolarHBondContact N-O 3.5Å; L170-K183 VanDerWaalsContact N-O 3.09Å; L170-F185 HydrophobicContact CD1-CB 4.12Å; L170-Y192 HydrophobicContact CD1-CD1 3.77Å; L170-Y192 HydrophobicContact CD1-CE1 3.48Å; L170-Y192 VanDerWaalsContact CD1-CE1 3.48Å
171	K	97.4	Very high	95.3	Very high	143 Å²	143	32.4 Å²	32.4	62%	0.622	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-154.4	139.5	-173.1	-176.6	177	178.5	178.3	0	111.3	I173 I182 K183	K171-I173 PolarHBondContact O-N 3.31Å; K171-I182 CarbonylContact O-C 3.58Å; K171-I182 VanDerWaalsContact O-CA 3.26Å; K171-I182 WeakPolarHBondContact O-CA 3.47Å; K171-K183 PolarHBondContact N-O 3.25Å; K171-K183 PolarHBondContact O-N 2.95Å
172	V	97	Very high	95.3	Very high	52 Å²	52	32.2 Å²	32.2	32%	0.315	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.1	167.5	-172.5	0	0	0	0	110	L157 G174 K175 I182	L157-V172 HydrophobicContact CD1-CG2 3.61Å; V172-G174 WeakPolarHBondContact CG1-O 3.34Å; V172-K175 HydrophobicContact CG1-CD 4.24Å; V172-K175 HydrophobicContact CG1-CG 3.6Å; V172-I182 HydrophobicContact CG2-CG2 4.25Å
173	I	95.2	Very high	95.3	Very high	86 Å²	86	35.3 Å²	35.3	44%	0.441	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-13.1	179.6	60.2	176	0	0	0	112.9	K171 V181 K183 A194 L248	K171-I173 PolarHBondContact O-N 3.31Å; I173-V181 HydrophobicContact CD1-CG1 3.96Å; I173-V181 HydrophobicContact CG1-CB 4.18Å; I173-V181 HydrophobicContact CG1-CG1 3.86Å; I173-V181 WeakPolarHBondContact CG1-O 3.12Å; I173-V181 PolarHBondContact N-O 3.23Å; I173-K183 HydrophobicContact CD1-CB 4.49Å; I173-K183 HydrophobicContact CG2-CB 3.86Å; I173-A194 HydrophobicContact CD1-CB 4.03Å; I173-L248 HydrophobicContact CD1-CD1 4Å
174	G	92.8	Very high	95.3	Very high	26 Å²	26	35.2 Å²	35.2	27%	0.268	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	148.7	171.3	0	0	0	0	0	112	V172 V181	V172-G174 WeakPolarHBondContact CG1-O 3.34Å; G174-V181 PolarHBondContact N-O 3.16Å; G174-V181 PolarHBondContact O-N 3.43Å
175	K	91.2	Very high	95.4	Very high	136 Å²	136	36.8 Å²	36.8	59%	0.591	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	145	171.9	-65.7	-169.2	176.3	-173.6	0	109.2	V172 Q180	V172-K175 HydrophobicContact CG1-CD 4.24Å; V172-K175 HydrophobicContact CG1-CG 3.6Å; K175-Q180 HydrophobicContact CG-CG 4.19Å
176	G	86.4	Confident	95.4	Very high	19 Å²	19	36.9 Å²	36.9	20%	0.196	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	-169.4	169.8	0	0	0	0	0	113.9	F178 G179	G176-F178 PolarHBondContact O-N 2.77Å; G176-F178 VanDerWaalsContact O-N 3.09Å; G176-G179 PolarHBondContact N-O 3.13Å; G176-G179 PolarHBondContact O-N 3.44Å
177	S	86	Confident	95.4	Very high	33 Å²	33	38 Å²	38	23%	0.231	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.1	-175.5	60.6	0	0	0	0	114	G179 F204	S177-G179 VanDerWaalsContact C-N 3.29Å; S177-G179 PolarHBondContact O-N 3.01Å; S177-F204 WeakPolarHBondContact O-CE1 3.43Å; S177-F204 WeakPolarHBondContact O-CE2 3.34Å; S177-F204 WeakPolarHBondContact O-CZ 3.43Å
178	F	86	Confident	95.2	Very high	38 Å²	38	38.8 Å²	38.8	17%	0.167	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-13.7	179.7	63.2	-99.9	0	0	0	114.1	G176 V181 K196 V198 R199 F204	G176-F178 PolarHBondContact O-N 2.77Å; G176-F178 VanDerWaalsContact O-N 3.09Å; F178-V181 HydrophobicContact CE2-CG2 3.85Å; F178-V181 HydrophobicContact CZ-CG2 4.14Å; F178-K196 HydrophobicContact CD2-CD 4.42Å; F178-K196 HydrophobicContact CD2-CG 4.34Å; F178-K196 HydrophobicContact CE2-CD 4.37Å; F178-K196 HydrophobicContact CE2-CG 4.19Å; F178-V198 WeakPolarHBondContact O-CA 3.37Å; F178-R199 PolarHBondContact O-N 3.05Å; F178-F204 HydrophobicContact CB-CD1 4.33Å
179	G	92.9	Very high	95.1	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.8	-138.5	-173.6	0	0	0	0	0	112.4	G176 S177 L197	G176-G179 PolarHBondContact N-O 3.13Å; G176-G179 PolarHBondContact O-N 3.44Å; S177-G179 VanDerWaalsContact C-N 3.29Å; S177-G179 PolarHBondContact O-N 3.01Å; G179-L197 WeakPolarHBondContact CA-O 3.34Å
180	Q	95.8	Very high	95	Very high	23 Å²	23	44.8 Å²	44.8	11%	0.107	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.9	-170.1	-54.7	-175.8	0.7	0	0	111.1	K175 K196 L197	K175-Q180 HydrophobicContact CG-CG 4.19Å; Q180-K196 CarbonylContact O-C 3.42Å; Q180-K196 WeakPolarHBondContact O-CA 3.47Å; Q180-L197 PolarHBondContact N-O 2.97Å; Q180-L197 PolarHBondContact O-N 2.79Å
181	V	97.6	Very high	95	Very high	25 Å²	25	46.1 Å²	46.1	15%	0.152	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.3	171.9	-170.5	0	0	0	0	108.3	I173 G174 F178 A194 L195 K196	I173-V181 HydrophobicContact CD1-CG1 3.96Å; I173-V181 HydrophobicContact CG1-CB 4.18Å; I173-V181 HydrophobicContact CG1-CG1 3.86Å; I173-V181 WeakPolarHBondContact CG1-O 3.12Å; I173-V181 PolarHBondContact N-O 3.23Å; G174-V181 PolarHBondContact N-O 3.16Å; G174-V181 PolarHBondContact O-N 3.43Å; F178-V181 HydrophobicContact CE2-CG2 3.85Å; F178-V181 HydrophobicContact CZ-CG2 4.14Å; V181-A194 HydrophobicContact CG1-CB 4.2Å; V181-L195 CarbonylContact C-O 3.15Å; V181-L195 WeakPolarHBondContact CA-O 3.1Å; V181-K196 HydrophobicContact CG2-CB 4.21Å; V181-K196 HydrophobicContact CG2-CG 4.13Å
182	I	98.3	Very high	95	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.4	178.9	63.5	172.9	0	0	0	110.9	L157 I163 V169 K171 V172 A184 A194 L195 L197	L157-I182 HydrophobicContact CD1-CG2 3.32Å; L157-I182 HydrophobicContact CD2-CD1 4.37Å; L157-I182 HydrophobicContact CD2-CG2 4.1Å; L157-I182 HydrophobicContact CG-CG2 4.38Å; I163-I182 HydrophobicContact CG1-CD1 4.47Å; V169-I182 HydrophobicContact CB-CD1 4.24Å; V169-I182 HydrophobicContact CG1-CD1 4.04Å; V169-I182 HydrophobicContact CG2-CD1 3.8Å; K171-I182 CarbonylContact O-C 3.58Å; K171-I182 VanDerWaalsContact O-CA 3.26Å; K171-I182 WeakPolarHBondContact O-CA 3.47Å; V172-I182 HydrophobicContact CG2-CG2 4.25Å; I182-A184 HydrophobicContact CD1-CB 4.13Å; I182-A184 HydrophobicContact CG1-CB 4.28Å; I182-A194 CarbonylContact O-C 3.54Å; I182-A194 WeakPolarHBondContact O-CA 3.25Å; I182-L195 HydrophobicContact CD1-CB 4.31Å; I182-L195 HydrophobicContact CD1-CD2 4.4Å; I182-L195 HydrophobicContact CG1-CB 3.79Å; I182-L195 HydrophobicContact CG1-CD2 4.39Å; I182-L195 WeakPolarHBondContact CG1-O 3.5Å; I182-L195 PolarHBondContact N-O 3Å; I182-L195 PolarHBondContact O-N 3.09Å; I182-L197 HydrophobicContact CD1-CD1 4.03Å; I182-L197 HydrophobicContact CG1-CD1 4.05Å; I182-L197 HydrophobicContact CG2-CD1 4.25Å
183	K	98.5	Very high	95.1	Very high	65 Å²	65	42.8 Å²	42.8	28%	0.283	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.3	153.9	-178.2	178.9	178.6	-176.5	0	106.8	L170 K171 I173 Y192 L248	L170-K183 WeakPolarHBondContact CB-O 3.28Å; L170-K183 HydrophobicContact CD1-CG 4.4Å; L170-K183 PolarHBondContact N-O 3.5Å; L170-K183 VanDerWaalsContact N-O 3.09Å; K171-K183 PolarHBondContact N-O 3.25Å; K171-K183 PolarHBondContact O-N 2.95Å; I173-K183 HydrophobicContact CD1-CB 4.49Å; I173-K183 HydrophobicContact CG2-CB 3.86Å; K183-Y192 HydrophobicContact CD-CD1 4.48Å; K183-Y192 HydrophobicContact CG-CD1 4.46Å; K183-L248 HydrophobicContact CD-CD2 4.05Å; K183-L248 HydrophobicContact CG-CD1 4.5Å; K183-L248 HydrophobicContact CG-CD2 4.01Å
184	A	98.7	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.7	176	0	0	0	0	0	110.9	E168 I182 Y192 V193 L195	E168-A184 CarbonylContact O-C 3.49Å; E168-A184 WeakPolarHBondContact O-CA 3.24Å; E168-A184 VanDerWaalsContact O-CB 3.26Å; E168-A184 WeakPolarHBondContact O-CB 3.45Å; I182-A184 HydrophobicContact CD1-CB 4.13Å; I182-A184 HydrophobicContact CG1-CB 4.28Å; A184-Y192 WeakPolarHBondContact O-CA 3.29Å; A184-V193 HydrophobicContact CB-CG2 4.11Å; A184-V193 PolarHBondContact N-O 3.44Å; A184-V193 PolarHBondContact O-N 3.19Å; A184-L195 HydrophobicContact CB-CB 4.33Å
185	F	98.6	Very high	95.5	Very high	34 Å²	34	38 Å²	38	15%	0.149	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123	169.2	-171.1	-104.3	0	0	0	109.5	Y167 E168 L170 H187 Q190 Y192	Y167-F185 CarbonylContact C-O 3.59Å; Y167-F185 WeakPolarHBondContact CA-O 3.22Å; E168-F185 HydrophobicContact CB-CB 4.34Å; E168-F185 PolarHBondContact N-O 3.39Å; E168-F185 PolarHBondContact O-N 2.81Å; L170-F185 HydrophobicContact CD1-CB 4.12Å; F185-H187 AromaticContact CD1-CD2 3.78Å; F185-H187 AromaticContact CD1-CE1 3.9Å; F185-H187 AromaticContact CD1-NE2 3.67Å; F185-H187 PolarHBondContact O-N 2.95Å; F185-Q190 HydrophobicContact CZ-CB 4.24Å; F185-Y192 HydrophobicContact CB-CD1 4.31Å; F185-Y192 HydrophobicContact CB-CE1 4.33Å; F185-Y192 AromaticContact CD2-CD1 3.81Å; F185-Y192 HydrophobicContact CD2-CD1 3.81Å; F185-Y192 HydrophobicContact CD2-CD2 4.4Å; F185-Y192 AromaticContact CD2-CE1 3.72Å; F185-Y192 HydrophobicContact CD2-CE1 3.72Å; F185-Y192 HydrophobicContact CD2-CE2 4.3Å; F185-Y192 HydrophobicContact CD2-CG 4.17Å; F185-Y192 AromaticContact CD2-CZ 3.97Å; F185-Y192 HydrophobicContact CE2-CE2 4.43Å; F185-Y192 HydrophobicContact CG-CE1 4.45Å
186	D	98.4	Very high	95.8	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	106	177.3	-177.1	-11.4	0	0	0	109.8	R166 Y167 K188 Y189 Q190 Q191 V193	R166-D186 WeakPolarHBondContact CG-OD1 3.39Å; R166-D186 IonicContact CZ-OD1 3.41Å; R166-D186 IonicContact CZ-OD2 3.33Å; R166-D186 IonicContact NE-OD1 2.97Å; R166-D186 PolarHBondContact NE-OD1 3.13Å; R166-D186 IonicContact NE-OD2 2.82Å; R166-D186 PolarHBondContact NE-OD2 3.04Å; R166-D186 IonicContact NH2-OD1 3.64Å; R166-D186 IonicContact NH2-OD2 3.07Å; R166-D186 PolarHBondContact NH2-OD2 3.31Å; Y167-D186 HydrophobicContact CD1-CB 3.84Å; Y167-D186 HydrophobicContact CE1-CB 3.82Å; D186-K188 PolarHBondContact O-N 2.8Å; D186-K188 WeakPolarHBondContact OD1-CB 3.17Å; D186-K188 PolarHBondContact OD1-N 3.35Å; D186-Y189 PolarHBondContact OD1-N 2.99Å; D186-Y189 WeakPolarHBondContact OD2-CD2 3.27Å; D186-Q190 VanDerWaalsContact O-CA 3.26Å; D186-Q190 WeakPolarHBondContact O-CA 3.45Å; D186-Q190 PolarHBondContact O-N 2.98Å; D186-Q191 HydrophobicContact CB-CG 4.3Å; D186-Q191 WeakPolarHBondContact CB-O 3.39Å; D186-Q191 PolarHBondContact N-O 3.46Å; D186-Q191 PolarHBondContact O-N 3.34Å; D186-V193 HydrophobicContact CB-CG1 4.3Å
187	H	97.8	Very high	96.4	Very high	31 Å²	31	31.2 Å²	31.2	14%	0.144	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.6	-177.7	-77.5	-96.2	0	0	0	114.1	N96 F127 F128 R166 E168 F185 Q190	N96-H187 PolarHBondContact ND2-O 3.35Å; F127-H187 HydrophobicContact CB-CB 3.85Å; F128-H187 HydrophobicContact CB-CB 4.04Å; F128-H187 AromaticContact CD2-CD2 3.71Å; F128-H187 AromaticContact CD2-CE1 3.51Å; F128-H187 AromaticContact CD2-NE2 3.29Å; F128-H187 VanDerWaalsContact CD2-NE2 3.29Å; F128-H187 WeakPolarHBondContact CD2-NE2 3.47Å; F128-H187 AromaticContact CE2-CE1 3.94Å; F128-H187 AromaticContact CE2-NE2 3.66Å; F128-H187 AromaticContact CG-CD2 3.56Å; F128-H187 AromaticContact CG-NE2 3.62Å; R166-H187 WeakPolarHBondContact O-CB 3.44Å; R166-H187 PolarHBondContact O-N 2.9Å; E168-H187 IonicContact OE2-CE1 3.67Å; E168-H187 IonicContact OE2-NE2 3.04Å; E168-H187 PolarHBondContact OE2-NE2 2.94Å; F185-H187 AromaticContact CD1-CD2 3.78Å; F185-H187 AromaticContact CD1-CE1 3.9Å; F185-H187 AromaticContact CD1-NE2 3.67Å; F185-H187 PolarHBondContact O-N 2.95Å; H187-Q190 PolarHBondContact O-NE2 3.17Å
188	K	95.9	Very high	96.9	Very high	17 Å²	17	29.8 Å²	29.8	7%	0.074	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-50.6	173.9	-178.1	-175.9	-176.6	-166.1	0	110.9	S70 N71 F127 R166 D186	S70-K188 PolarHBondContact O-NZ 3.39Å; N71-K188 PolarHBondContact O-NZ 3.07Å; N71-K188 VanDerWaalsContact O-NZ 3.07Å; F127-K188 HydrophobicContact CD1-CB 3.91Å; F127-K188 HydrophobicContact CD1-CG 4.25Å; F127-K188 HydrophobicContact CD2-CB 4.27Å; F127-K188 HydrophobicContact CE1-CB 3.89Å; F127-K188 HydrophobicContact CE1-CD 4.4Å; F127-K188 HydrophobicContact CE1-CG 3.71Å; F127-K188 HydrophobicContact CE2-CB 4.24Å; F127-K188 HydrophobicContact CE2-CD 4.26Å; F127-K188 HydrophobicContact CE2-CG 4.3Å; F127-K188 HydrophobicContact CG-CB 4.12Å; F127-K188 HydrophobicContact CZ-CB 4.05Å; F127-K188 HydrophobicContact CZ-CD 3.9Å; F127-K188 HydrophobicContact CZ-CG 3.73Å; R166-K188 HydrophobicContact CG-CB 4.2Å; D186-K188 PolarHBondContact O-N 2.8Å; D186-K188 WeakPolarHBondContact OD1-CB 3.17Å; D186-K188 PolarHBondContact OD1-N 3.35Å
189	Y	95.7	Very high	97.5	Very high	61 Å²	61	30.1 Å²	30.1	24%	0.239	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	0.7	-175.4	-64.1	-57.1	0	0	0	114.3	E72 L74 R166 D186 Q191	E72-Y189 PolarHBondContact O-OH 2.87Å; E72-Y189 VanDerWaalsContact O-OH 3.12Å; L74-Y189 HydrophobicContact CD1-CD2 3.89Å; L74-Y189 HydrophobicContact CD1-CE2 3.7Å; L74-Y189 HydrophobicContact CG-CE2 4.26Å; R166-Y189 VanDerWaalsContact NH2-CD2 3.26Å; D186-Y189 PolarHBondContact OD1-N 2.99Å; D186-Y189 WeakPolarHBondContact OD2-CD2 3.27Å; Y189-Q191 PolarHBondContact O-N 2.84Å
190	Q	96.9	Very high	97.6	Very high	101 Å²	101	32.5 Å²	32.5	47%	0.472	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	46.8	177.5	-61.9	-65.9	-53.3	0	0	112.9	F185 D186 H187	F185-Q190 HydrophobicContact CZ-CB 4.24Å; D186-Q190 VanDerWaalsContact O-CA 3.26Å; D186-Q190 WeakPolarHBondContact O-CA 3.45Å; D186-Q190 PolarHBondContact O-N 2.98Å; H187-Q190 PolarHBondContact O-NE2 3.17Å
191	Q	97	Very high	97.6	Very high	74 Å²	74	34.6 Å²	34.6	35%	0.346	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.5	-177.8	63.6	179	-29.1	0	0	112.5	D186 Y189 V193	D186-Q191 HydrophobicContact CB-CG 4.3Å; D186-Q191 WeakPolarHBondContact CB-O 3.39Å; D186-Q191 PolarHBondContact N-O 3.46Å; D186-Q191 PolarHBondContact O-N 3.34Å; Y189-Q191 PolarHBondContact O-N 2.84Å; Q191-V193 HydrophobicContact CG-CG1 4.2Å
192	Y	98.3	Very high	97.4	Very high	124 Å²	124	42 Å²	42	49%	0.486	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	135.7	172.1	-64.6	-78.4	0	0	0	111.1	L170 K183 A184 F185	L170-Y192 HydrophobicContact CD1-CD1 3.77Å; L170-Y192 HydrophobicContact CD1-CE1 3.48Å; L170-Y192 VanDerWaalsContact CD1-CE1 3.48Å; K183-Y192 HydrophobicContact CD-CD1 4.48Å; K183-Y192 HydrophobicContact CG-CD1 4.46Å; A184-Y192 WeakPolarHBondContact O-CA 3.29Å; F185-Y192 HydrophobicContact CB-CD1 4.31Å; F185-Y192 HydrophobicContact CB-CE1 4.33Å; F185-Y192 AromaticContact CD2-CD1 3.81Å; F185-Y192 HydrophobicContact CD2-CD1 3.81Å; F185-Y192 HydrophobicContact CD2-CD2 4.4Å; F185-Y192 AromaticContact CD2-CE1 3.72Å; F185-Y192 HydrophobicContact CD2-CE1 3.72Å; F185-Y192 HydrophobicContact CD2-CE2 4.3Å; F185-Y192 HydrophobicContact CD2-CG 4.17Å; F185-Y192 AromaticContact CD2-CZ 3.97Å; F185-Y192 HydrophobicContact CE2-CE2 4.43Å; F185-Y192 HydrophobicContact CG-CE1 4.45Å
193	V	98.6	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.4	179.4	-60	0	0	0	0	110.9	Y167 A184 D186 Q191 L233	Y167-V193 HydrophobicContact CD1-CG2 3.94Å; Y167-V193 HydrophobicContact CE1-CG2 4.15Å; A184-V193 HydrophobicContact CB-CG2 4.11Å; A184-V193 PolarHBondContact N-O 3.44Å; A184-V193 PolarHBondContact O-N 3.19Å; D186-V193 HydrophobicContact CB-CG1 4.3Å; Q191-V193 HydrophobicContact CG-CG1 4.2Å; V193-L233 HydrophobicContact CG1-CD1 3.78Å
194	A	98.6	Very high	96.8	Very high	11 Å²	11	43.9 Å²	43.9	9%	0.091	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.9	161.4	0	0	0	0	0	108.5	I173 V181 I182 T245 F246 L248	I173-A194 HydrophobicContact CD1-CB 4.03Å; V181-A194 HydrophobicContact CG1-CB 4.2Å; I182-A194 CarbonylContact O-C 3.54Å; I182-A194 WeakPolarHBondContact O-CA 3.25Å; A194-T245 CarbonylContact O-C 3.55Å; A194-T245 WeakPolarHBondContact O-CA 3.49Å; A194-F246 HydrophobicContact CB-CB 4.34Å; A194-F246 PolarHBondContact N-O 2.94Å; A194-F246 PolarHBondContact O-N 3.22Å; A194-L248 HydrophobicContact CB-CD1 4.07Å
195	L	98.6	Very high	96.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.6	179.4	-169.6	163.8	0	0	0	109.1	I163 Y167 V181 I182 A184 L197 F236 C243 T245	I163-L195 HydrophobicContact CB-CD1 4.26Å; I163-L195 HydrophobicContact CG2-CD1 4.05Å; Y167-L195 HydrophobicContact CD1-CD1 4.24Å; Y167-L195 HydrophobicContact CD2-CD1 3.85Å; Y167-L195 HydrophobicContact CE2-CD1 4.49Å; Y167-L195 HydrophobicContact CG-CD1 3.69Å; V181-L195 CarbonylContact C-O 3.15Å; V181-L195 WeakPolarHBondContact CA-O 3.1Å; I182-L195 HydrophobicContact CD1-CB 4.31Å; I182-L195 HydrophobicContact CD1-CD2 4.4Å; I182-L195 HydrophobicContact CG1-CB 3.79Å; I182-L195 HydrophobicContact CG1-CD2 4.39Å; I182-L195 WeakPolarHBondContact CG1-O 3.5Å; I182-L195 PolarHBondContact N-O 3Å; I182-L195 PolarHBondContact O-N 3.09Å; A184-L195 HydrophobicContact CB-CB 4.33Å; L195-L197 HydrophobicContact CD2-CD1 3.43Å; L195-L197 VanDerWaalsContact CD2-CD1 3.43Å; L195-L197 HydrophobicContact CD2-CD2 4.46Å; L195-L197 HydrophobicContact CD2-CG 3.58Å; L195-F236 HydrophobicContact CD1-CZ 4.22Å; L195-C243 HydrophobicContact CD2-CB 4.31Å; L195-T245 HydrophobicContact CB-CG2 4.21Å; L195-T245 HydrophobicContact CD1-CG2 3.98Å; L195-T245 HydrophobicContact CG-CG2 3.84Å
196	K	98.2	Very high	96.3	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.039	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.5	175.3	-175.1	177.8	-168	177.8	0	108.7	F178 Q180 V181 E211 C243 I244 F246 D313	F178-K196 HydrophobicContact CD2-CD 4.42Å; F178-K196 HydrophobicContact CD2-CG 4.34Å; F178-K196 HydrophobicContact CE2-CD 4.37Å; F178-K196 HydrophobicContact CE2-CG 4.19Å; Q180-K196 CarbonylContact O-C 3.42Å; Q180-K196 WeakPolarHBondContact O-CA 3.47Å; V181-K196 HydrophobicContact CG2-CB 4.21Å; V181-K196 HydrophobicContact CG2-CG 4.13Å; K196-E211 IonicContact NZ-OE1 2.68Å; K196-E211 PolarHBondContact NZ-OE1 3.47Å; K196-E211 IonicContact NZ-OE2 3.06Å; K196-E211 PolarHBondContact NZ-OE2 3.24Å; K196-C243 VanDerWaalsContact O-CA 3.3Å; K196-C243 WeakPolarHBondContact O-CA 3.26Å; K196-I244 HydrophobicContact CB-CB 4.48Å; K196-I244 PolarHBondContact N-O 2.92Å; K196-I244 PolarHBondContact O-N 3.44Å; K196-F246 HydrophobicContact CB-CE2 3.92Å; K196-F246 HydrophobicContact CD-CE2 4.25Å; K196-D313 IonicContact NZ-OD1 3.29Å; K196-D313 PolarHBondContact NZ-OD1 2.91Å
197	L	97.9	Very high	96	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.1	168.6	-60.5	95.1	0	0	0	108.3	Y155 L157 I163 G179 Q180 I182 L195	Y155-L197 HydrophobicContact CD1-CD2 3.89Å; Y155-L197 HydrophobicContact CG-CD2 4.08Å; L157-L197 HydrophobicContact CD2-CD1 4.1Å; L157-L197 HydrophobicContact CD2-CD2 4.25Å; I163-L197 HydrophobicContact CD1-CD2 4.01Å; G179-L197 WeakPolarHBondContact CA-O 3.34Å; Q180-L197 PolarHBondContact N-O 2.97Å; Q180-L197 PolarHBondContact O-N 2.79Å; I182-L197 HydrophobicContact CD1-CD1 4.03Å; I182-L197 HydrophobicContact CG1-CD1 4.05Å; I182-L197 HydrophobicContact CG2-CD1 4.25Å; L195-L197 HydrophobicContact CD2-CD1 3.43Å; L195-L197 VanDerWaalsContact CD2-CD1 3.43Å; L195-L197 HydrophobicContact CD2-CD2 4.46Å; L195-L197 HydrophobicContact CD2-CG 3.58Å
198	V	97.5	Very high	95.8	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	134.8	-179.6	-178.3	0	0	0	0	108.8	F178 F204 A208 H241 K242	F178-V198 WeakPolarHBondContact O-CA 3.37Å; V198-F204 HydrophobicContact CG1-CB 3.64Å; V198-A208 HydrophobicContact CB-CB 4.42Å; V198-A208 HydrophobicContact CG1-CB 4.1Å; V198-A208 HydrophobicContact CG2-CB 3.71Å; V198-H241 PolarHBondContact O-ND1 3.46Å; V198-K242 HydrophobicContact CB-CB 4.03Å; V198-K242 WeakPolarHBondContact CB-O 3.4Å; V198-K242 HydrophobicContact CG2-CB 4.07Å; V198-K242 WeakPolarHBondContact CG2-O 3.3Å; V198-K242 PolarHBondContact N-O 3.32Å
199	R	96.9	Very high	95.8	Very high	45 Å²	45	55.1 Å²	55.1	17%	0.17	24%	0.241	C	C	.	.			trans	-53.3	138.7	176.1	-161.7	173	-178	-172.3	-16.2	111	N152 G153 F178 E201 F204 H205	N152-R199 PolarHBondContact O-NE 3.33Å; N152-R199 PolarHBondContact O-NH2 3.13Å; N152-R199 PolarHBondContact OD1-NH2 3.49Å; N152-R199 VanDerWaalsContact OD1-NH2 3.12Å; G153-R199 VanDerWaalsContact O-CG 3.24Å; G153-R199 WeakPolarHBondContact O-CG 3.33Å; F178-R199 PolarHBondContact O-N 3.05Å; R199-E201 WeakPolarHBondContact CD-OE1 3.27Å; R199-E201 HydrophobicContact CG-CG 4.3Å; R199-E201 IonicContact CZ-OE1 2.77Å; R199-E201 IonicContact NE-OE1 2.83Å; R199-E201 PolarHBondContact NE-OE1 3.41Å; R199-E201 IonicContact NH1-OE1 3.59Å; R199-E201 IonicContact NH2-OE1 3.45Å; R199-E201 PolarHBondContact NH2-OE1 3.03Å; R199-E201 PolarHBondContact O-N 3.04Å; R199-F204 HydrophobicContact CB-CD2 3.9Å; R199-F204 HydrophobicContact CB-CG 4.39Å; R199-F204 HydrophobicContact CG-CD2 4.38Å; R199-H205 PolarHBondContact O-CD2 3.04Å
200	N	96.4	Very high	95.7	Very high	51 Å²	51	54.8 Å²	54.8	27%	0.273	24%	0.242	S	C	.	.	S	Bend	trans	-76	65.8	-176.1	-175	11.9	0	0	0	111.3	D149 G153 N240	D149-N200 VanDerWaalsContact OD2-CB 3.32Å; D149-N200 WeakPolarHBondContact OD2-CB 3.39Å; D149-N200 PolarHBondContact OD2-ND2 2.82Å; G153-N200 PolarHBondContact O-N 3.28Å; N200-N240 PolarHBondContact OD1-O 2.88Å
201	E	94.8	Very high	95.6	Very high	67 Å²	67	50.2 Å²	50.2	31%	0.313	22%	0.22	S	C	.	.	S	Bend	trans	-137.3	140.3	175.1	-58.2	177	-148.2	0	0	110.3	R199 R203 F204 H205	R199-E201 WeakPolarHBondContact CD-OE1 3.27Å; R199-E201 HydrophobicContact CG-CG 4.3Å; R199-E201 IonicContact CZ-OE1 2.77Å; R199-E201 IonicContact NE-OE1 2.83Å; R199-E201 PolarHBondContact NE-OE1 3.41Å; R199-E201 IonicContact NH1-OE1 3.59Å; R199-E201 IonicContact NH2-OE1 3.45Å; R199-E201 PolarHBondContact NH2-OE1 3.03Å; R199-E201 PolarHBondContact O-N 3.04Å; E201-R203 PolarHBondContact O-N 3.41Å; E201-F204 HydrophobicContact CB-CD2 3.93Å; E201-F204 HydrophobicContact CG-CD2 4.27Å; E201-F204 PolarHBondContact O-N 2.73Å; E201-F204 WeakPolarHBondContact OE2-CE2 3.45Å; E201-H205 PolarHBondContact O-N 3.35Å
202	K	93.3	Very high	95.6	Very high	181 Å²	181	47.3 Å²	47.3	79%	0.787	21%	0.207	S	C	*	.	H	α-helix	trans	-53.2	-34.7	-177.4	-66.1	-177.2	179.6	178.2	0	113.5	R206	K202-R206 WeakPolarHBondContact O-CG 3.39Å; K202-R206 PolarHBondContact O-N 2.85Å
203	R	91.1	Very high	95.4	Very high	87 Å²	87	46.7 Å²	46.7	33%	0.328	20%	0.204	S	C	.	.	H	α-helix	trans	-66.1	-49.2	178.4	-177.7	-173.5	-179.6	-175.8	4.9	111.7	E201 H205 R206 Q207	E201-R203 PolarHBondContact O-N 3.41Å; R203-H205 VanDerWaalsContact C-N 3.33Å; R203-R206 PolarHBondContact O-N 2.9Å; R203-Q207 PolarHBondContact O-N 3.32Å
204	F	93.6	Very high	95.3	Very high	18 Å²	18	46.8 Å²	46.8	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-71.1	-32.1	-179.6	-66	-63	0	0	0	111.5	S177 F178 V198 R199 E201 R206 Q207 A208	S177-F204 WeakPolarHBondContact O-CE1 3.43Å; S177-F204 WeakPolarHBondContact O-CE2 3.34Å; S177-F204 WeakPolarHBondContact O-CZ 3.43Å; F178-F204 HydrophobicContact CB-CD1 4.33Å; V198-F204 HydrophobicContact CG1-CB 3.64Å; R199-F204 HydrophobicContact CB-CD2 3.9Å; R199-F204 HydrophobicContact CB-CG 4.39Å; R199-F204 HydrophobicContact CG-CD2 4.38Å; E201-F204 HydrophobicContact CB-CD2 3.93Å; E201-F204 HydrophobicContact CG-CD2 4.27Å; E201-F204 PolarHBondContact O-N 2.73Å; E201-F204 WeakPolarHBondContact OE2-CE2 3.45Å; F204-R206 PolarHBondContact O-N 3.23Å; F204-Q207 PolarHBondContact O-N 3.03Å; F204-A208 WeakPolarHBondContact O-CB 3.26Å; F204-A208 PolarHBondContact O-N 2.93Å
205	H	94.9	Very high	95.2	Very high	40 Å²	40	46.5 Å²	46.5	19%	0.185	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-44.8	172	-75.3	-170.4	0	0	0	112.7	R199 E201 R203 Q207 A208 D209 N240 K242	R199-H205 PolarHBondContact O-CD2 3.04Å; E201-H205 PolarHBondContact O-N 3.35Å; R203-H205 VanDerWaalsContact C-N 3.33Å; H205-Q207 PolarHBondContact O-N 3.47Å; H205-A208 PolarHBondContact O-N 3.43Å; H205-D209 PolarHBondContact O-N 3.48Å; H205-N240 PolarHBondContact CE1-O 3.36Å; H205-N240 PolarHBondContact NE2-O 2.86Å; H205-K242 HydrophobicContact CB-CD 4.1Å; H205-K242 WeakPolarHBondContact O-CE 3.26Å
206	R	92.1	Very high	95	Very high	176 Å²	176	49.8 Å²	49.8	66%	0.664	22%	0.219	S	C	*	.	H	α-helix	trans	-63.3	-39.9	175.5	-73.8	-171.9	-69.6	170.9	-2.7	112.7	K202 R203 F204 D209 E210	K202-R206 WeakPolarHBondContact O-CG 3.39Å; K202-R206 PolarHBondContact O-N 2.85Å; R203-R206 PolarHBondContact O-N 2.9Å; F204-R206 PolarHBondContact O-N 3.23Å; R206-D209 PolarHBondContact O-N 2.93Å; R206-E210 PolarHBondContact O-N 3.49Å; R206-E210 VanDerWaalsContact O-N 3.13Å
207	Q	91.3	Very high	94.8	Very high	26 Å²	26	52.2 Å²	52.2	12%	0.121	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-40.4	175.8	-76	175.4	25.6	0	0	111.9	R203 F204 H205 E210 E211 Y325	R203-Q207 PolarHBondContact O-N 3.32Å; F204-Q207 PolarHBondContact O-N 3.03Å; H205-Q207 PolarHBondContact O-N 3.47Å; Q207-E210 PolarHBondContact O-N 3.07Å; Q207-E211 WeakPolarHBondContact O-CB 3.32Å; Q207-E211 PolarHBondContact O-N 2.99Å; Q207-Y325 PolarHBondContact NE2-OH 3.12Å
208	A	95.3	Very high	94.7	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-38.4	177.1	0	0	0	0	0	112.5	V198 F204 H205 E210 E211 I212 K242 I244	V198-A208 HydrophobicContact CB-CB 4.42Å; V198-A208 HydrophobicContact CG1-CB 4.1Å; V198-A208 HydrophobicContact CG2-CB 3.71Å; F204-A208 WeakPolarHBondContact O-CB 3.26Å; F204-A208 PolarHBondContact O-N 2.93Å; H205-A208 PolarHBondContact O-N 3.43Å; A208-E210 VanDerWaalsContact C-N 3.34Å; A208-E211 PolarHBondContact O-N 3.12Å; A208-I212 WeakPolarHBondContact O-CB 3.49Å; A208-I212 WeakPolarHBondContact O-CD1 3.21Å; A208-I212 WeakPolarHBondContact O-CG1 3.48Å; A208-I212 PolarHBondContact O-N 2.94Å; A208-K242 HydrophobicContact CB-CB 4.3Å; A208-K242 HydrophobicContact CB-CD 3.76Å; A208-I244 HydrophobicContact CB-CD1 4.44Å
209	D	94.8	Very high	94.5	Very high	76 Å²	76	56.2 Å²	56.2	41%	0.406	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-40.8	174.2	-73.8	-34.5	0	0	0	111.9	H205 R206 R213 K242	H205-D209 PolarHBondContact O-N 3.48Å; R206-D209 PolarHBondContact O-N 2.93Å; D209-R213 WeakPolarHBondContact O-CB 3.26Å; D209-R213 PolarHBondContact O-N 3.36Å; D209-K242 VanDerWaalsContact CG-CE 3.48Å; D209-K242 VanDerWaalsContact OD1-CE 3.27Å; D209-K242 WeakPolarHBondContact OD1-CE 3.09Å; D209-K242 IonicContact OD1-NZ 3.74Å; D209-K242 PolarHBondContact OD1-NZ 2.95Å; D209-K242 WeakPolarHBondContact OD2-CE 3.48Å; D209-K242 IonicContact OD2-NZ 3.65Å; D209-K242 PolarHBondContact OD2-NZ 2.75Å
210	E	93.1	Very high	94.2	Very high	54 Å²	54	61.9 Å²	61.9	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-68.4	-40	175.4	-166.4	59.3	-152.3	0	0	112	R206 Q207 A208 I212 R213 I214	R206-E210 PolarHBondContact O-N 3.49Å; R206-E210 VanDerWaalsContact O-N 3.13Å; Q207-E210 PolarHBondContact O-N 3.07Å; A208-E210 VanDerWaalsContact C-N 3.34Å; E210-I212 PolarHBondContact O-N 2.7Å; E210-R213 WeakPolarHBondContact O-CB 3.45Å; E210-R213 PolarHBondContact O-N 3.11Å; E210-R213 IonicContact OE1-CZ 2.74Å; E210-R213 IonicContact OE1-NE 2.88Å; E210-R213 PolarHBondContact OE1-NE 2.71Å; E210-R213 IonicContact OE1-NH2 3.02Å; E210-R213 PolarHBondContact OE1-NH2 3.04Å; E210-R213 IonicContact OE2-CZ 2.7Å; E210-R213 IonicContact OE2-NE 3.02Å; E210-R213 PolarHBondContact OE2-NE 3.36Å; E210-R213 IonicContact OE2-NH2 2.62Å; E210-I214 HydrophobicContact CG-CD1 3.99Å; E210-I214 WeakPolarHBondContact O-CB 3.49Å; E210-I214 WeakPolarHBondContact O-CG1 3.48Å; E210-I214 PolarHBondContact O-N 2.84Å
211	E	95.6	Very high	94	Very high	5 Å²	5	63 Å²	63	2%	0.023	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-47.2	174.6	-175.7	171.8	-167.6	0	0	111.4	K196 Q207 A208 R213 I214 L215 F314	K196-E211 IonicContact NZ-OE1 2.68Å; K196-E211 PolarHBondContact NZ-OE1 3.47Å; K196-E211 IonicContact NZ-OE2 3.06Å; K196-E211 PolarHBondContact NZ-OE2 3.24Å; Q207-E211 WeakPolarHBondContact O-CB 3.32Å; Q207-E211 PolarHBondContact O-N 2.99Å; A208-E211 PolarHBondContact O-N 3.12Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 2.8Å; E211-I214 PolarHBondContact O-N 3.2Å; E211-L215 HydrophobicContact CG-CD1 3.83Å; E211-L215 HydrophobicContact CG-CG 4.46Å; E211-L215 WeakPolarHBondContact O-CB 3.48Å; E211-L215 VanDerWaalsContact O-CG 3.27Å; E211-L215 WeakPolarHBondContact O-CG 3.25Å; E211-L215 PolarHBondContact O-N 2.83Å; E211-F314 HydrophobicContact CG-CB 4.06Å; E211-F314 PolarHBondContact OE1-N 3.5Å
212	I	96.3	Very high	93.9	Very high	14 Å²	14	59.9 Å²	59.9	7%	0.072	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-47	175.5	-69.9	161.2	0	0	0	110.2	A208 E210 I214 L215 D216 M232 Y235 I244	A208-I212 WeakPolarHBondContact O-CB 3.49Å; A208-I212 WeakPolarHBondContact O-CD1 3.21Å; A208-I212 WeakPolarHBondContact O-CG1 3.48Å; A208-I212 PolarHBondContact O-N 2.94Å; E210-I212 PolarHBondContact O-N 2.7Å; I212-I214 PolarHBondContact O-N 3.45Å; I212-L215 PolarHBondContact O-N 3.28Å; I212-D216 VanDerWaalsContact O-CB 3.25Å; I212-D216 WeakPolarHBondContact O-CB 3.39Å; I212-D216 PolarHBondContact O-N 2.8Å; I212-M232 HydrophobicContact CB-SD 4.44Å; I212-M232 HydrophobicContact CG1-SD 4.07Å; I212-M232 HydrophobicContact CG2-CE 4.13Å; I212-M232 HydrophobicContact CG2-SD 4.27Å; I212-Y235 HydrophobicContact CD1-CD2 3.79Å; I212-Y235 HydrophobicContact CD1-CG 3.93Å; I212-Y235 HydrophobicContact CG1-CG 4.28Å; I212-Y235 HydrophobicContact CG2-CD1 3.91Å; I212-Y235 HydrophobicContact CG2-CD2 4.21Å; I212-Y235 HydrophobicContact CG2-CE1 4.02Å; I212-Y235 HydrophobicContact CG2-CE2 4.31Å; I212-Y235 HydrophobicContact CG2-CG 4.02Å; I212-I244 HydrophobicContact CD1-CD1 4.04Å; I212-I244 HydrophobicContact CD1-CG1 4.08Å; I212-I244 HydrophobicContact CG1-CD1 3.7Å; I212-I244 HydrophobicContact CG1-CG1 4.04Å
213	R	95.7	Very high	93.5	Very high	111 Å²	111	54.8 Å²	54.8	42%	0.419	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-46.5	179.6	-172.3	177.6	85.3	127.7	-7.3	112.1	D209 E210 E211 H217 F319	D209-R213 WeakPolarHBondContact O-CB 3.26Å; D209-R213 PolarHBondContact O-N 3.36Å; E210-R213 WeakPolarHBondContact O-CB 3.45Å; E210-R213 PolarHBondContact O-N 3.11Å; E210-R213 IonicContact OE1-CZ 2.74Å; E210-R213 IonicContact OE1-NE 2.88Å; E210-R213 PolarHBondContact OE1-NE 2.71Å; E210-R213 IonicContact OE1-NH2 3.02Å; E210-R213 PolarHBondContact OE1-NH2 3.04Å; E210-R213 IonicContact OE2-CZ 2.7Å; E210-R213 IonicContact OE2-NE 3.02Å; E210-R213 PolarHBondContact OE2-NE 3.36Å; E210-R213 IonicContact OE2-NH2 2.62Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 2.8Å; R213-H217 WeakPolarHBondContact O-CB 3.36Å; R213-H217 PolarHBondContact O-N 2.95Å; R213-F319 VanDerWaalsContact NH2-CD2 3.29Å
214	I	96.1	Very high	93.4	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-46.8	-180	-71.6	171.1	0	0	0	110.6	E210 E211 I212 H217 L218 L289 F314 F319	E210-I214 HydrophobicContact CG-CD1 3.99Å; E210-I214 WeakPolarHBondContact O-CB 3.49Å; E210-I214 WeakPolarHBondContact O-CG1 3.48Å; E210-I214 PolarHBondContact O-N 2.84Å; E211-I214 PolarHBondContact O-N 3.2Å; I212-I214 PolarHBondContact O-N 3.45Å; I214-H217 WeakPolarHBondContact O-CB 3.45Å; I214-H217 PolarHBondContact O-N 2.9Å; I214-L218 HydrophobicContact CG2-CD1 3.7Å; I214-L218 HydrophobicContact CG2-CG 4.4Å; I214-L218 VanDerWaalsContact O-CG 3.31Å; I214-L218 WeakPolarHBondContact O-CG 3.34Å; I214-L218 PolarHBondContact O-N 2.86Å; I214-L289 HydrophobicContact CD1-CD2 4.07Å; I214-L289 HydrophobicContact CG1-CD2 4.04Å; I214-L289 HydrophobicContact CG2-CD1 4.07Å; I214-L289 HydrophobicContact CG2-CD2 4.21Å; I214-F314 HydrophobicContact CG2-CD1 3.91Å; I214-F319 HydrophobicContact CG1-CE2 4.03Å; I214-F319 HydrophobicContact CG1-CZ 4.49Å
215	L	96.4	Very high	93.1	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-39.5	-178.7	-72.6	171.5	0	0	0	112.4	E211 I212 H217 L218 R219 I229 I230 M232 F246 F314	E211-L215 HydrophobicContact CG-CD1 3.83Å; E211-L215 HydrophobicContact CG-CG 4.46Å; E211-L215 WeakPolarHBondContact O-CB 3.48Å; E211-L215 VanDerWaalsContact O-CG 3.27Å; E211-L215 WeakPolarHBondContact O-CG 3.25Å; E211-L215 PolarHBondContact O-N 2.83Å; I212-L215 PolarHBondContact O-N 3.28Å; L215-H217 VanDerWaalsContact C-N 3.34Å; L215-L218 PolarHBondContact O-N 2.83Å; L215-R219 VanDerWaalsContact O-CB 3.24Å; L215-R219 WeakPolarHBondContact O-CB 3.4Å; L215-R219 PolarHBondContact O-N 3.02Å; L215-I229 HydrophobicContact CD2-CG2 4.25Å; L215-I230 HydrophobicContact CD2-CG2 4.05Å; L215-M232 HydrophobicContact CB-CB 4.48Å; L215-M232 HydrophobicContact CD1-CB 4.35Å; L215-F246 HydrophobicContact CD1-CE1 3.66Å; L215-F246 HydrophobicContact CD1-CZ 4.2Å; L215-F314 HydrophobicContact CD2-CB 4.34Å; L215-F314 HydrophobicContact CD2-CD2 3.7Å; L215-F314 HydrophobicContact CD2-CE2 4.18Å; L215-F314 HydrophobicContact CD2-CG 4Å; L215-F314 HydrophobicContact CG-CB 4.36Å
216	D	94.4	Very high	93	Very high	70 Å²	70	56.9 Å²	56.9	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-39.4	174.8	-174.3	56.2	0	0	0	111.6	I212 R220 M232	I212-D216 VanDerWaalsContact O-CB 3.25Å; I212-D216 WeakPolarHBondContact O-CB 3.39Å; I212-D216 PolarHBondContact O-N 2.8Å; D216-R220 PolarHBondContact O-NH1 2.73Å; D216-R220 IonicContact OD1-NH2 3.43Å; D216-R220 IonicContact OD2-CZ 3.92Å; D216-R220 IonicContact OD2-NH1 3.7Å; D216-R220 IonicContact OD2-NH2 2.94Å; D216-R220 PolarHBondContact OD2-NH2 3.4Å; D216-M232 HydrophobicContact CB-CE 4.41Å
217	H	94.4	Very high	93.1	Very high	60 Å²	60	50.4 Å²	50.4	28%	0.278	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-45.2	172.5	-178.5	68.3	0	0	0	113	R213 I214 L215 Q221 N287	R213-H217 WeakPolarHBondContact O-CB 3.36Å; R213-H217 PolarHBondContact O-N 2.95Å; I214-H217 WeakPolarHBondContact O-CB 3.45Å; I214-H217 PolarHBondContact O-N 2.9Å; L215-H217 VanDerWaalsContact C-N 3.34Å; H217-Q221 PolarHBondContact NE2-NE2 2.83Å; H217-N287 PolarHBondContact NE2-OD1 2.81Å
218	L	94.9	Very high	93.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-71.4	-35.6	179.6	-69.2	168.9	0	0	0	112.4	I214 L215 R220 Q221 D222 I229 L283 L284 L289 F314	I214-L218 HydrophobicContact CG2-CD1 3.7Å; I214-L218 HydrophobicContact CG2-CG 4.4Å; I214-L218 VanDerWaalsContact O-CG 3.31Å; I214-L218 WeakPolarHBondContact O-CG 3.34Å; I214-L218 PolarHBondContact O-N 2.86Å; L215-L218 PolarHBondContact O-N 2.83Å; L218-R220 PolarHBondContact O-N 2.84Å; L218-Q221 PolarHBondContact O-N 3.42Å; L218-D222 PolarHBondContact O-N 3.39Å; L218-I229 HydrophobicContact CB-CD1 4.38Å; L218-I229 HydrophobicContact CD1-CD1 4.2Å; L218-I229 HydrophobicContact CD2-CD1 4.27Å; L218-L283 HydrophobicContact CD2-CD2 4.23Å; L218-L283 HydrophobicContact CD2-CG 4.23Å; L218-L284 HydrophobicContact CD1-CD2 3.76Å; L218-L284 HydrophobicContact CD2-CD2 3.91Å; L218-L289 HydrophobicContact CD1-CD1 4.18Å; L218-L289 HydrophobicContact CD2-CD1 3.83Å; L218-L289 HydrophobicContact CG-CD1 4.08Å; L218-F314 HydrophobicContact CD1-CD1 4.17Å; L218-F314 HydrophobicContact CD1-CE1 3.77Å; L218-F314 HydrophobicContact CD1-CZ 4.33Å
219	R	92.4	Very high	93.5	Very high	90 Å²	90	49.7 Å²	49.7	34%	0.34	24%	0.242	S	C	.	.	H	α-helix	trans	-58.1	-35.1	-179.2	179.9	56.7	172	160.4	-5.4	112.7	L215 Q221 D222 H231	L215-R219 VanDerWaalsContact O-CB 3.24Å; L215-R219 WeakPolarHBondContact O-CB 3.4Å; L215-R219 PolarHBondContact O-N 3.02Å; R219-Q221 PolarHBondContact O-N 3.03Å; R219-D222 PolarHBondContact NH1-O 3.49Å; R219-D222 CarbonylContact O-C 3.57Å; R219-D222 PolarHBondContact O-N 2.79Å; R219-H231 PolarHBondContact NH1-CE1 3.28Å; R219-H231 PolarHBondContact NH1-ND1 3.06Å; R219-H231 PolarHBondContact NH1-NE2 3.35Å
220	R	91.1	Very high	93.6	Very high	164 Å²	164	46.5 Å²	46.5	62%	0.619	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.8	176.9	-63.4	-177	-170.9	95.7	7.4	113.3	D216 L218	D216-R220 PolarHBondContact O-NH1 2.73Å; D216-R220 IonicContact OD1-NH2 3.43Å; D216-R220 IonicContact OD2-CZ 3.92Å; D216-R220 IonicContact OD2-NH1 3.7Å; D216-R220 IonicContact OD2-NH2 2.94Å; D216-R220 PolarHBondContact OD2-NH2 3.4Å; L218-R220 PolarHBondContact O-N 2.84Å
221	Q	92.3	Very high	93.7	Very high	76 Å²	76	44.9 Å²	44.9	36%	0.355	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-14.8	-178.4	-63.4	174	63.9	0	0	112.7	H217 L218 R219 L283 N287	H217-Q221 PolarHBondContact NE2-NE2 2.83Å; L218-Q221 PolarHBondContact O-N 3.42Å; R219-Q221 PolarHBondContact O-N 3.03Å; Q221-L283 HydrophobicContact CB-CD1 4.1Å; Q221-L283 HydrophobicContact CB-CD2 4.39Å; Q221-N287 PolarHBondContact NE2-ND2 3.43Å; Q221-N287 PolarHBondContact NE2-OD1 3.1Å; Q221-N287 PolarHBondContact OE1-ND2 3.34Å; Q221-N287 PolarHBondContact OE1-OD1 3.22Å
222	D	91.9	Very high	93.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.223	C	C	.	.			trans	-116.6	47.7	177.6	-168.4	42.4	0	0	0	111.4	L218 R219 D224 G225 T226 H227 H231 L283	L218-D222 PolarHBondContact O-N 3.39Å; R219-D222 PolarHBondContact NH1-O 3.49Å; R219-D222 CarbonylContact O-C 3.57Å; R219-D222 PolarHBondContact O-N 2.79Å; D222-D224 VanDerWaalsContact C-N 3.3Å; D222-D224 PolarHBondContact O-N 3.09Å; D222-G225 PolarHBondContact O-N 3.25Å; D222-G225 VanDerWaalsContact OD1-C 3.27Å; D222-G225 VanDerWaalsContact OD1-CA 3.29Å; D222-G225 WeakPolarHBondContact OD1-CA 3.49Å; D222-G225 PolarHBondContact OD1-N 3.44Å; D222-T226 PolarHBondContact OD1-N 2.75Å; D222-H227 HydrophobicContact CB-CB 4.26Å; D222-H227 WeakPolarHBondContact OD1-CB 3.35Å; D222-H227 IonicContact OD1-CG 2.73Å; D222-H227 PolarHBondContact OD1-N 3.28Å; D222-H227 IonicContact OD1-ND1 2.87Å; D222-H227 PolarHBondContact OD1-ND1 2.65Å; D222-H231 PolarHBondContact O-NE2 2.83Å; D222-H231 IonicContact OD2-CD2 2.94Å; D222-H231 IonicContact OD2-CE1 3.04Å; D222-H231 IonicContact OD2-NE2 3.35Å; D222-H231 PolarHBondContact OD2-NE2 2.91Å; D222-L283 HydrophobicContact CB-CD2 4.4Å
223	S	86.3	Confident	93.7	Very high	73 Å²	73	47.4 Å²	47.4	51%	0.51	23%	0.23	S	C	.	.	S	Bend	trans	-67.7	-30.2	-179.7	55.8	0	0	0	0	112.8
224	D	88.4	Confident	93.6	Very high	109 Å²	109	42.6 Å²	42.6	58%	0.583	21%	0.212	S	C	*	.	S	Bend	trans	-90.1	-6.3	177.5	66	2.4	0	0	0	113.6	D222 T226	D222-D224 VanDerWaalsContact C-N 3.3Å; D222-D224 PolarHBondContact O-N 3.09Å; D224-T226 VanDerWaalsContact C-N 3.3Å; D224-T226 HydrophobicContact CB-CG2 4.21Å; D224-T226 VanDerWaalsContact CG-OG1 3.3Å; D224-T226 PolarHBondContact O-N 3.09Å; D224-T226 WeakPolarHBondContact OD1-CB 3.26Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.26Å; D224-T226 PolarHBondContact OD1-N 3.41Å; D224-T226 VanDerWaalsContact OD1-N 3.07Å; D224-T226 PolarHBondContact OD1-OG1 2.87Å; D224-T226 VanDerWaalsContact OD2-CG2 3.27Å; D224-T226 WeakPolarHBondContact OD2-CG2 3.37Å; D224-T226 PolarHBondContact OD2-OG1 3.15Å
225	G	87.9	Confident	93.7	Very high	12 Å²	12	46.9 Å²	46.9	12%	0.124	23%	0.229	C	C	.	.	S	Bend	trans	70.8	19.7	178.5	0	0	0	0	0	115	D222	D222-G225 PolarHBondContact O-N 3.25Å; D222-G225 VanDerWaalsContact OD1-C 3.27Å; D222-G225 VanDerWaalsContact OD1-CA 3.29Å; D222-G225 WeakPolarHBondContact OD1-CA 3.49Å; D222-G225 PolarHBondContact OD1-N 3.44Å
226	T	92	Very high	93.7	Very high	68 Å²	68	46.8 Å²	46.8	42%	0.417	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-20.1	-177.7	58.6	0	0	0	0	113.8	D222 D224 N228 L279	D222-T226 PolarHBondContact OD1-N 2.75Å; D224-T226 VanDerWaalsContact C-N 3.3Å; D224-T226 HydrophobicContact CB-CG2 4.21Å; D224-T226 VanDerWaalsContact CG-OG1 3.3Å; D224-T226 PolarHBondContact O-N 3.09Å; D224-T226 WeakPolarHBondContact OD1-CB 3.26Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.26Å; D224-T226 PolarHBondContact OD1-N 3.41Å; D224-T226 VanDerWaalsContact OD1-N 3.07Å; D224-T226 PolarHBondContact OD1-OG1 2.87Å; D224-T226 VanDerWaalsContact OD2-CG2 3.27Å; D224-T226 WeakPolarHBondContact OD2-CG2 3.37Å; D224-T226 PolarHBondContact OD2-OG1 3.15Å; T226-N228 VanDerWaalsContact C-N 3.28Å; T226-N228 PolarHBondContact O-N 3.41Å; T226-L279 WeakPolarHBondContact O-CD1 3.49Å
227	H	94.6	Very high	93.8	Very high	41 Å²	41	46.1 Å²	46.1	19%	0.19	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	0.6	-179.4	-59.1	85.7	0	0	0	113.5	D222 I229 C280 L283	D222-H227 HydrophobicContact CB-CB 4.26Å; D222-H227 WeakPolarHBondContact OD1-CB 3.35Å; D222-H227 IonicContact OD1-CG 2.73Å; D222-H227 PolarHBondContact OD1-N 3.28Å; D222-H227 IonicContact OD1-ND1 2.87Å; D222-H227 PolarHBondContact OD1-ND1 2.65Å; H227-I229 VanDerWaalsContact C-N 3.34Å; H227-I229 HydrophobicContact CB-CD1 4.35Å; H227-I229 PolarHBondContact O-N 2.92Å; H227-C280 WeakPolarHBondContact O-CA 3.34Å; H227-C280 VanDerWaalsContact O-CB 3.26Å; H227-C280 WeakPolarHBondContact O-CB 3.43Å; H227-C280 PolarHBondContact O-N 3.14Å; H227-C280 VanDerWaalsContact O-N 3.15Å; H227-L283 HydrophobicContact CB-CB 4.34Å; H227-L283 HydrophobicContact CB-CD2 3.67Å
228	N	96.9	Very high	93.9	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.053	21%	0.212	C	C	.	.			trans	58.5	41.2	173.9	-56.9	-50.1	0	0	0	113.8	T226 S276 K302 I309 K310 V311	T226-N228 VanDerWaalsContact C-N 3.28Å; T226-N228 PolarHBondContact O-N 3.41Å; N228-S276 PolarHBondContact ND2-O 3.27Å; N228-K302 WeakPolarHBondContact OD1-CE 3.49Å; N228-K302 PolarHBondContact OD1-NZ 2.57Å; N228-I309 HydrophobicContact CB-CD1 4.09Å; N228-I309 WeakPolarHBondContact CB-O 3.49Å; N228-I309 PolarHBondContact OD1-O 2.92Å; N228-K310 CarbonylContact O-C 3.42Å; N228-K310 WeakPolarHBondContact O-CA 3.44Å; N228-V311 PolarHBondContact O-N 2.81Å
229	I	97.1	Very high	94	Very high	3 Å²	3	44 Å²	44	2%	0.015	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-103.2	142.9	172.3	-64.8	163.2	0	0	0	108.8	L215 L218 H227 H231 C280 L283 L284 K310 F314	L215-I229 HydrophobicContact CD2-CG2 4.25Å; L218-I229 HydrophobicContact CB-CD1 4.38Å; L218-I229 HydrophobicContact CD1-CD1 4.2Å; L218-I229 HydrophobicContact CD2-CD1 4.27Å; H227-I229 VanDerWaalsContact C-N 3.34Å; H227-I229 HydrophobicContact CB-CD1 4.35Å; H227-I229 PolarHBondContact O-N 2.92Å; I229-H231 PolarHBondContact O-CD2 2.91Å; I229-H231 PolarHBondContact O-N 3.07Å; I229-H231 PolarHBondContact O-NE2 2.93Å; I229-C280 HydrophobicContact CG1-CB 4.24Å; I229-L283 HydrophobicContact CD1-CD2 3.66Å; I229-L283 HydrophobicContact CD1-CG 4.49Å; I229-L284 HydrophobicContact CD1-CD2 4.45Å; I229-K310 VanDerWaalsContact O-CD 3.32Å; I229-K310 WeakPolarHBondContact O-CD 3.39Å; I229-K310 WeakPolarHBondContact O-CE 3.4Å; I229-K310 PolarHBondContact O-NZ 2.99Å; I229-F314 HydrophobicContact CG1-CZ 4.36Å; I229-F314 HydrophobicContact CG2-CE2 3.88Å; I229-F314 HydrophobicContact CG2-CZ 3.88Å
230	I	97.4	Very high	94.1	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.046	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-58.2	134.6	173.3	-171.3	70.5	0	0	0	111.4	L215 F246 E247 L249 V311 I312 F314	L215-I230 HydrophobicContact CD2-CG2 4.05Å; I230-F246 HydrophobicContact CD1-CB 4.18Å; I230-F246 HydrophobicContact CG1-CB 4.03Å; I230-F246 HydrophobicContact CG1-CD1 3.58Å; I230-F246 HydrophobicContact CG1-CE1 4.35Å; I230-F246 HydrophobicContact CG1-CG 4.1Å; I230-F246 HydrophobicContact CG2-CD1 4.36Å; I230-F246 HydrophobicContact CG2-CE1 4.35Å; I230-E247 HydrophobicContact CD1-CG 3.57Å; I230-L249 HydrophobicContact CD1-CD1 3.49Å; I230-L249 VanDerWaalsContact CD1-CD1 3.49Å; I230-L249 HydrophobicContact CD1-CG 3.87Å; I230-V311 PolarHBondContact N-O 3.07Å; I230-I312 HydrophobicContact CB-CG2 4.01Å; I230-I312 HydrophobicContact CD1-CG2 4.2Å; I230-I312 HydrophobicContact CG1-CG2 4.27Å; I230-I312 HydrophobicContact CG2-CB 4.44Å; I230-I312 HydrophobicContact CG2-CG2 4.48Å; I230-F314 HydrophobicContact CG2-CD2 4.35Å; I230-F314 HydrophobicContact CG2-CE2 4.31Å
231	H	95.8	Very high	94.5	Very high	20 Å²	20	36.9 Å²	36.9	9%	0.093	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-95.8	117.9	176.9	-62.3	162.2	0	0	0	110.3	R219 D222 I229 F246 E247 K310	R219-H231 PolarHBondContact NH1-CE1 3.28Å; R219-H231 PolarHBondContact NH1-ND1 3.06Å; R219-H231 PolarHBondContact NH1-NE2 3.35Å; D222-H231 PolarHBondContact O-NE2 2.83Å; D222-H231 IonicContact OD2-CD2 2.94Å; D222-H231 IonicContact OD2-CE1 3.04Å; D222-H231 IonicContact OD2-NE2 3.35Å; D222-H231 PolarHBondContact OD2-NE2 2.91Å; I229-H231 PolarHBondContact O-CD2 2.91Å; I229-H231 PolarHBondContact O-N 3.07Å; I229-H231 PolarHBondContact O-NE2 2.93Å; H231-F246 WeakPolarHBondContact O-CA 3.34Å; H231-E247 WeakPolarHBondContact CB-OE1 3.22Å; H231-E247 IonicContact CG-OE1 3.28Å; H231-E247 PolarHBondContact N-OE1 3.44Å; H231-E247 IonicContact ND1-OE1 2.7Å; H231-E247 PolarHBondContact O-N 3.02Å; H231-K310 PolarHBondContact CE1-NZ 3.05Å; H231-K310 PolarHBondContact ND1-NZ 3.37Å; H231-K310 VanDerWaalsContact ND1-NZ 3.12Å; H231-K310 PolarHBondContact NE2-NZ 2.73Å
232	M	96.3	Very high	94.7	Very high	30 Å²	30	34.6 Å²	34.6	15%	0.148	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135	166	-179.3	179.5	69.7	0	0	109.2	I212 L215 D216 Y235 I244 T245 F246	I212-M232 HydrophobicContact CB-SD 4.44Å; I212-M232 HydrophobicContact CG1-SD 4.07Å; I212-M232 HydrophobicContact CG2-CE 4.13Å; I212-M232 HydrophobicContact CG2-SD 4.27Å; L215-M232 HydrophobicContact CB-CB 4.48Å; L215-M232 HydrophobicContact CD1-CB 4.35Å; D216-M232 HydrophobicContact CB-CE 4.41Å; M232-Y235 HydrophobicContact CE-CD1 4.07Å; M232-Y235 HydrophobicContact SD-CD1 4.26Å; M232-I244 HydrophobicContact CG-CG2 3.59Å; M232-I244 HydrophobicContact SD-CG2 3.62Å; M232-T245 CarbonylContact C-O 3.48Å; M232-T245 WeakPolarHBondContact CA-O 3.26Å; M232-F246 HydrophobicContact CB-CD1 4.23Å; M232-F246 HydrophobicContact CB-CE1 4.18Å
233	L	95.1	Very high	95	Very high	42 Å²	42	34.6 Å²	34.6	22%	0.22	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-41.1	-178.5	-57.1	179	0	0	0	112.3	V193 T245	V193-L233 HydrophobicContact CG1-CD1 3.78Å; L233-T245 PolarHBondContact N-O 3.16Å
234	D	94.9	Very high	95.6	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.048	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	156.9	-176.8	-154.9	-5.9	0	0	0	109.5	S70 R166 T245	S70-D234 PolarHBondContact N-OD1 3.13Å; S70-D234 PolarHBondContact N-OD2 3.03Å; S70-D234 VanDerWaalsContact OG-CG 3.25Å; S70-D234 PolarHBondContact OG-OD1 3.18Å; S70-D234 PolarHBondContact OG-OD2 2.76Å; R166-D234 IonicContact CZ-OD2 3.44Å; R166-D234 IonicContact NH1-OD2 2.67Å; R166-D234 PolarHBondContact NH1-OD2 3.33Å; D234-T245 WeakPolarHBondContact CA-OG1 3.46Å; D234-T245 VanDerWaalsContact CB-OG1 3.26Å; D234-T245 WeakPolarHBondContact CB-OG1 3.48Å; D234-T245 PolarHBondContact N-OG1 2.83Å; D234-T245 PolarHBondContact O-N 3.39Å; D234-T245 PolarHBondContact O-OG1 3.01Å; D234-T245 VanDerWaalsContact O-OG1 3.11Å
235	Y	96.4	Very high	96	Very high	92 Å²	92	26 Å²	26	36%	0.361	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.9	172.2	71.5	-85.5	0	0	0	110.8	K67 I212 M232 C243	K67-Y235 HydrophobicContact CD-CE2 4.47Å; I212-Y235 HydrophobicContact CD1-CD2 3.79Å; I212-Y235 HydrophobicContact CD1-CG 3.93Å; I212-Y235 HydrophobicContact CG1-CG 4.28Å; I212-Y235 HydrophobicContact CG2-CD1 3.91Å; I212-Y235 HydrophobicContact CG2-CD2 4.21Å; I212-Y235 HydrophobicContact CG2-CE1 4.02Å; I212-Y235 HydrophobicContact CG2-CE2 4.31Å; I212-Y235 HydrophobicContact CG2-CG 4.02Å; M232-Y235 HydrophobicContact CE-CD1 4.07Å; M232-Y235 HydrophobicContact SD-CD1 4.26Å; Y235-C243 CarbonylContact C-O 3.56Å; Y235-C243 VanDerWaalsContact CA-O 3.25Å; Y235-C243 WeakPolarHBondContact CA-O 3.27Å
236	F	96.9	Very high	96.5	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.013	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	174.8	-174.5	55.6	-90	0	0	0	111	K67 P69 I163 A164 Y167 L195 F238 C243 T245	K67-F236 VanDerWaalsContact O-CB 3.26Å; K67-F236 WeakPolarHBondContact O-CB 3.44Å; P69-F236 HydrophobicContact CB-CD1 4Å; P69-F236 HydrophobicContact CB-CE1 4.43Å; P69-F236 HydrophobicContact CB-CG 4.3Å; P69-F236 HydrophobicContact CG-CB 4.29Å; P69-F236 HydrophobicContact CG-CD1 3.88Å; P69-F236 HydrophobicContact CG-CD2 4.04Å; P69-F236 HydrophobicContact CG-CE1 4.18Å; P69-F236 HydrophobicContact CG-CE2 4.33Å; P69-F236 HydrophobicContact CG-CG 3.81Å; P69-F236 HydrophobicContact CG-CZ 4.4Å; I163-F236 HydrophobicContact CG2-CE2 3.84Å; I163-F236 HydrophobicContact CG2-CZ 4.04Å; A164-F236 HydrophobicContact CB-CD2 3.89Å; A164-F236 HydrophobicContact CB-CE2 3.47Å; A164-F236 VanDerWaalsContact CB-CE2 3.47Å; A164-F236 HydrophobicContact CB-CZ 4.09Å; Y167-F236 HydrophobicContact CD2-CE1 4.16Å; Y167-F236 AromaticContact CD2-CZ 3.75Å; Y167-F236 HydrophobicContact CD2-CZ 3.75Å; Y167-F236 HydrophobicContact CE2-CD1 4.45Å; Y167-F236 AromaticContact CE2-CE1 3.37Å; Y167-F236 HydrophobicContact CE2-CE1 3.37Å; Y167-F236 AromaticContact CE2-CZ 3.44Å; Y167-F236 HydrophobicContact CE2-CZ 3.44Å; Y167-F236 VanDerWaalsContact CE2-CZ 3.44Å; Y167-F236 AromaticContact CZ-CE1 3.98Å; L195-F236 HydrophobicContact CD1-CZ 4.22Å; F236-F238 HydrophobicContact CD2-CB 4.25Å; F236-F238 HydrophobicContact CE2-CB 4.05Å; F236-C243 HydrophobicContact CD1-CB 4.37Å; F236-C243 HydrophobicContact CD2-CB 3.75Å; F236-C243 HydrophobicContact CE1-CB 4.07Å; F236-C243 HydrophobicContact CE2-CB 3.39Å; F236-C243 HydrophobicContact CG-CB 4.22Å; F236-C243 HydrophobicContact CZ-CB 3.57Å; F236-C243 PolarHBondContact N-O 2.64Å; F236-C243 PolarHBondContact O-N 3.27Å; F236-T245 HydrophobicContact CE1-CG2 4.11Å
237	N	96.6	Very high	96.7	Very high	56 Å²	56	25.4 Å²	25.4	30%	0.299	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.9	171.9	-61.9	-33.7	0	0	0	109.6	K67 H241	K67-N237 PolarHBondContact O-N 3.29Å; N237-H241 CarbonylContact C-O 3.47Å; N237-H241 WeakPolarHBondContact CA-O 3.38Å
238	F	97.3	Very high	96.9	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	122.1	174.7	177.3	-107.3	0	0	0	109.5	Y123 Y155 I163 A164 F236 N240 H241	Y123-F238 WeakPolarHBondContact OH-CD2 3.24Å; Y155-F238 HydrophobicContact CE1-CE1 4.49Å; Y155-F238 HydrophobicContact CE2-CE1 4.18Å; Y155-F238 AromaticContact CZ-CE1 3.81Å; Y155-F238 WeakPolarHBondContact OH-CE1 3.31Å; I163-F238 HydrophobicContact CB-CD1 4.44Å; I163-F238 HydrophobicContact CB-CE1 4.47Å; I163-F238 HydrophobicContact CD1-CD1 3.8Å; I163-F238 HydrophobicContact CD1-CE1 3.49Å; I163-F238 VanDerWaalsContact CD1-CE1 3.49Å; I163-F238 HydrophobicContact CD1-CZ 4.4Å; I163-F238 HydrophobicContact CG2-CB 4.18Å; I163-F238 HydrophobicContact CG2-CD1 3.77Å; I163-F238 HydrophobicContact CG2-CE1 4.27Å; I163-F238 HydrophobicContact CG2-CG 3.92Å; A164-F238 HydrophobicContact CB-CD2 4.06Å; F236-F238 HydrophobicContact CD2-CB 4.25Å; F236-F238 HydrophobicContact CE2-CB 4.05Å; F238-N240 VanDerWaalsContact C-N 3.3Å; F238-N240 PolarHBondContact O-N 2.87Å; F238-H241 PolarHBondContact N-O 3.42Å; F238-H241 WeakPolarHBondContact O-CB 3.29Å; F238-H241 PolarHBondContact O-N 3.17Å
239	R	96.2	Very high	96.9	Very high	15 Å²	15	27 Å²	27	6%	0.057	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	52.7	179.4	-62.4	-178.9	-179.7	165.1	-0.6	112.9	F115 E116 E119 N145 Y155 H241	F115-R239 HydrophobicContact CE1-CG 4.28Å; E116-R239 IonicContact OE1-NH2 2.92Å; E116-R239 PolarHBondContact OE1-NH2 3.4Å; E119-R239 WeakPolarHBondContact OE1-CG 3.36Å; E119-R239 IonicContact OE1-NE 2.64Å; E119-R239 PolarHBondContact OE1-NE 3.1Å; E119-R239 IonicContact OE2-CZ 3.35Å; E119-R239 IonicContact OE2-NE 3.39Å; E119-R239 PolarHBondContact OE2-NE 3.25Å; E119-R239 IonicContact OE2-NH2 3.98Å; E119-R239 PolarHBondContact OE2-NH2 2.8Å; N145-R239 PolarHBondContact ND2-O 3.06Å; Y155-R239 HydrophobicContact CE2-CB 4.12Å; Y155-R239 PolarHBondContact OH-NH1 2.94Å; R239-H241 PolarHBondContact O-CD2 3.24Å; R239-H241 PolarHBondContact O-N 2.69Å
240	N	95.9	Very high	96.9	Very high	103 Å²	103	28.5 Å²	28.5	55%	0.551	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	3.8	-177.5	-61.9	-43	0	0	0	117.3	N145 N200 H205 F238	N145-N240 PolarHBondContact OD1-ND2 2.73Å; N200-N240 PolarHBondContact OD1-O 2.88Å; H205-N240 PolarHBondContact CE1-O 3.36Å; H205-N240 PolarHBondContact NE2-O 2.86Å; F238-N240 VanDerWaalsContact C-N 3.3Å; F238-N240 PolarHBondContact O-N 2.87Å
241	H	97.8	Very high	96.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.3	170.2	-64.3	-85.6	0	0	0	111.4	D149 G153 Y155 V198 N237 F238 R239	D149-H241 IonicContact OD1-CD2 3.33Å; D149-H241 IonicContact OD1-CE1 3.66Å; D149-H241 IonicContact OD1-NE2 3.68Å; D149-H241 PolarHBondContact OD1-NE2 3.03Å; D149-H241 IonicContact OD2-CE1 2.79Å; D149-H241 IonicContact OD2-NE2 3.38Å; G153-H241 PolarHBondContact O-CE1 2.76Å; Y155-H241 WeakPolarHBondContact CB-NE2 3.36Å; Y155-H241 AromaticContact CD2-CD2 3.47Å; Y155-H241 VanDerWaalsContact CD2-CD2 3.47Å; Y155-H241 WeakPolarHBondContact CD2-CD2 3.27Å; Y155-H241 AromaticContact CD2-NE2 3.51Å; Y155-H241 AromaticContact CG-NE2 3.97Å; Y155-H241 PolarHBondContact N-CE1 2.9Å; V198-H241 PolarHBondContact O-ND1 3.46Å; N237-H241 CarbonylContact C-O 3.47Å; N237-H241 WeakPolarHBondContact CA-O 3.38Å; F238-H241 PolarHBondContact N-O 3.42Å; F238-H241 WeakPolarHBondContact O-CB 3.29Å; F238-H241 PolarHBondContact O-N 3.17Å; R239-H241 PolarHBondContact O-CD2 3.24Å; R239-H241 PolarHBondContact O-N 2.69Å
242	K	97.2	Very high	97	Very high	29 Å²	29	30.3 Å²	30.3	13%	0.126	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.4	162.1	-70.2	-177.8	-177.8	-77.7	0	109.1	V198 H205 A208 D209	V198-K242 HydrophobicContact CB-CB 4.03Å; V198-K242 WeakPolarHBondContact CB-O 3.4Å; V198-K242 HydrophobicContact CG2-CB 4.07Å; V198-K242 WeakPolarHBondContact CG2-O 3.3Å; V198-K242 PolarHBondContact N-O 3.32Å; H205-K242 HydrophobicContact CB-CD 4.1Å; H205-K242 WeakPolarHBondContact O-CE 3.26Å; A208-K242 HydrophobicContact CB-CB 4.3Å; A208-K242 HydrophobicContact CB-CD 3.76Å; D209-K242 VanDerWaalsContact CG-CE 3.48Å; D209-K242 VanDerWaalsContact OD1-CE 3.27Å; D209-K242 WeakPolarHBondContact OD1-CE 3.09Å; D209-K242 IonicContact OD1-NZ 3.74Å; D209-K242 PolarHBondContact OD1-NZ 2.95Å; D209-K242 WeakPolarHBondContact OD2-CE 3.48Å; D209-K242 IonicContact OD2-NZ 3.65Å; D209-K242 PolarHBondContact OD2-NZ 2.75Å
243	C	98.2	Very high	97.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.2	179.1	-64.3	0	0	0	0	109.7	L195 K196 Y235 F236	L195-C243 HydrophobicContact CD2-CB 4.31Å; K196-C243 VanDerWaalsContact O-CA 3.3Å; K196-C243 WeakPolarHBondContact O-CA 3.26Å; Y235-C243 CarbonylContact C-O 3.56Å; Y235-C243 VanDerWaalsContact CA-O 3.25Å; Y235-C243 WeakPolarHBondContact CA-O 3.27Å; F236-C243 HydrophobicContact CD1-CB 4.37Å; F236-C243 HydrophobicContact CD2-CB 3.75Å; F236-C243 HydrophobicContact CE1-CB 4.07Å; F236-C243 HydrophobicContact CE2-CB 3.39Å; F236-C243 HydrophobicContact CG-CB 4.22Å; F236-C243 HydrophobicContact CZ-CB 3.57Å; F236-C243 PolarHBondContact N-O 2.64Å; F236-C243 PolarHBondContact O-N 3.27Å
244	I	98.1	Very high	97.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.4	176.2	-49.9	172.2	0	0	0	107.8	K196 A208 I212 M232 F246	K196-I244 HydrophobicContact CB-CB 4.48Å; K196-I244 PolarHBondContact N-O 2.92Å; K196-I244 PolarHBondContact O-N 3.44Å; A208-I244 HydrophobicContact CB-CD1 4.44Å; I212-I244 HydrophobicContact CD1-CD1 4.04Å; I212-I244 HydrophobicContact CD1-CG1 4.08Å; I212-I244 HydrophobicContact CG1-CD1 3.7Å; I212-I244 HydrophobicContact CG1-CG1 4.04Å; M232-I244 HydrophobicContact CG-CG2 3.59Å; M232-I244 HydrophobicContact SD-CG2 3.62Å; I244-F246 HydrophobicContact CB-CE2 3.81Å; I244-F246 HydrophobicContact CB-CZ 4Å; I244-F246 HydrophobicContact CG2-CD2 4.3Å; I244-F246 HydrophobicContact CG2-CE1 3.96Å; I244-F246 HydrophobicContact CG2-CE2 3.55Å; I244-F246 HydrophobicContact CG2-CZ 3.37Å
245	T	98.3	Very high	97.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144	176.1	59.2	0	0	0	0	110.8	Y167 A194 L195 M232 L233 D234 F236	Y167-T245 HydrophobicContact CD1-CG2 4.46Å; Y167-T245 HydrophobicContact CE1-CG2 3.83Å; Y167-T245 HydrophobicContact CE2-CG2 4.32Å; A194-T245 CarbonylContact O-C 3.55Å; A194-T245 WeakPolarHBondContact O-CA 3.49Å; L195-T245 HydrophobicContact CB-CG2 4.21Å; L195-T245 HydrophobicContact CD1-CG2 3.98Å; L195-T245 HydrophobicContact CG-CG2 3.84Å; M232-T245 CarbonylContact C-O 3.48Å; M232-T245 WeakPolarHBondContact CA-O 3.26Å; L233-T245 PolarHBondContact N-O 3.16Å; D234-T245 WeakPolarHBondContact CA-OG1 3.46Å; D234-T245 VanDerWaalsContact CB-OG1 3.26Å; D234-T245 WeakPolarHBondContact CB-OG1 3.48Å; D234-T245 PolarHBondContact N-OG1 2.83Å; D234-T245 PolarHBondContact O-N 3.39Å; D234-T245 PolarHBondContact O-OG1 3.01Å; D234-T245 VanDerWaalsContact O-OG1 3.11Å; F236-T245 HydrophobicContact CE1-CG2 4.11Å
246	F	98.2	Very high	97.5	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158.6	-178.1	-57.6	-87.6	0	0	0	110.1	A194 K196 L215 I230 H231 M232 I244 L248	A194-F246 HydrophobicContact CB-CB 4.34Å; A194-F246 PolarHBondContact N-O 2.94Å; A194-F246 PolarHBondContact O-N 3.22Å; K196-F246 HydrophobicContact CB-CE2 3.92Å; K196-F246 HydrophobicContact CD-CE2 4.25Å; L215-F246 HydrophobicContact CD1-CE1 3.66Å; L215-F246 HydrophobicContact CD1-CZ 4.2Å; I230-F246 HydrophobicContact CD1-CB 4.18Å; I230-F246 HydrophobicContact CG1-CB 4.03Å; I230-F246 HydrophobicContact CG1-CD1 3.58Å; I230-F246 HydrophobicContact CG1-CE1 4.35Å; I230-F246 HydrophobicContact CG1-CG 4.1Å; I230-F246 HydrophobicContact CG2-CD1 4.36Å; I230-F246 HydrophobicContact CG2-CE1 4.35Å; H231-F246 WeakPolarHBondContact O-CA 3.34Å; M232-F246 HydrophobicContact CB-CD1 4.23Å; M232-F246 HydrophobicContact CB-CE1 4.18Å; I244-F246 HydrophobicContact CB-CE2 3.81Å; I244-F246 HydrophobicContact CB-CZ 4Å; I244-F246 HydrophobicContact CG2-CD2 4.3Å; I244-F246 HydrophobicContact CG2-CE1 3.96Å; I244-F246 HydrophobicContact CG2-CE2 3.55Å; I244-F246 HydrophobicContact CG2-CZ 3.37Å; F246-L248 PolarHBondContact O-N 2.97Å
247	E	96.6	Very high	97.6	Very high	50 Å²	50	30.5 Å²	30.5	23%	0.234	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	139.3	163.4	69.4	-171.1	124	0	0	110.3	I230 H231 L249 K310	I230-E247 HydrophobicContact CD1-CG 3.57Å; H231-E247 WeakPolarHBondContact CB-OE1 3.22Å; H231-E247 IonicContact CG-OE1 3.28Å; H231-E247 PolarHBondContact N-OE1 3.44Å; H231-E247 IonicContact ND1-OE1 2.7Å; H231-E247 PolarHBondContact O-N 3.02Å; E247-L249 HydrophobicContact CG-CD2 3.91Å; E247-L249 HydrophobicContact CG-CG 4.24Å; E247-L249 PolarHBondContact O-N 2.96Å; E247-K310 WeakPolarHBondContact OE1-CD 3.31Å; E247-K310 WeakPolarHBondContact OE1-CE 3.25Å; E247-K310 IonicContact OE1-NZ 3.67Å; E247-K310 PolarHBondContact OE1-NZ 2.88Å; E247-K310 IonicContact OE2-NZ 2.71Å; E247-K310 PolarHBondContact OE2-NZ 3.47Å
248	L	97.9	Very high	97.7	Very high	60 Å²	60	32.9 Å²	32.9	31%	0.314	16%	0.16	S	C	.	.			trans	-82.1	114.5	178	-175.1	66.7	0	0	0	110.1	I173 K183 A194 F246	I173-L248 HydrophobicContact CD1-CD1 4Å; K183-L248 HydrophobicContact CD-CD2 4.05Å; K183-L248 HydrophobicContact CG-CD1 4.5Å; K183-L248 HydrophobicContact CG-CD2 4.01Å; A194-L248 HydrophobicContact CB-CD1 4.07Å; F246-L248 PolarHBondContact O-N 2.97Å
249	L	97.7	Very high	97.7	Very high	24 Å²	24	39.5 Å²	39.5	13%	0.126	19%	0.185	C	C	.	.			trans	-95.4	179.1	174.5	-57.3	-179	0	0	0	111.9	I230 E247 L300 K310 I312	I230-L249 HydrophobicContact CD1-CD1 3.49Å; I230-L249 VanDerWaalsContact CD1-CD1 3.49Å; I230-L249 HydrophobicContact CD1-CG 3.87Å; E247-L249 HydrophobicContact CG-CD2 3.91Å; E247-L249 HydrophobicContact CG-CG 4.24Å; E247-L249 PolarHBondContact O-N 2.96Å; L249-L300 HydrophobicContact CB-CB 3.99Å; L249-L300 HydrophobicContact CB-CD2 3.9Å; L249-L300 HydrophobicContact CD1-CB 3.75Å; L249-L300 HydrophobicContact CD1-CD2 4.28Å; L249-K310 HydrophobicContact CD1-CB 3.81Å; L249-K310 HydrophobicContact CD1-CD 4.37Å; L249-K310 HydrophobicContact CD1-CG 4.46Å; L249-K310 HydrophobicContact CD2-CD 4.23Å; L249-I312 HydrophobicContact CD1-CG2 4.11Å
250	S	97.2	Very high	97.7	Very high	34 Å²	34	41.7 Å²	41.7	24%	0.238	20%	0.198	C	C	.	.			trans	-90.2	-159.2	175.1	-162	0	0	0	0	111.4	L300 L301	S250-L300 WeakPolarHBondContact O-CD2 3.46Å; S250-L301 WeakPolarHBondContact CA-O 3.42Å; S250-L301 VanDerWaalsContact CB-O 3.27Å; S250-L301 WeakPolarHBondContact CB-O 3.24Å; S250-L301 PolarHBondContact N-O 3.49Å
251	I	96.9	Very high	97.8	Very high	31 Å²	31	44.5 Å²	44.5	16%	0.159	21%	0.205	C	C	.	.			trans	-63.1	154.9	-178.1	64.2	174	0	0	0	112.7	E255 L256 L301	I251-E255 HydrophobicContact CB-CB 4.11Å; I251-E255 HydrophobicContact CD1-CB 4.42Å; I251-L256 HydrophobicContact CD1-CB 4.05Å; I251-L256 HydrophobicContact CD1-CD1 4.1Å; I251-L301 HydrophobicContact CD1-CD1 4.46Å; I251-L301 HydrophobicContact CG1-CD1 3.99Å; I251-L301 PolarHBondContact O-N 3.05Å
252	N	98.1	Very high	97.9	Very high	36 Å²	36	47.6 Å²	47.6	19%	0.193	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-75.9	166.3	169.8	66.7	43.4	0	0	0	112.4	Y254 E255 L256 E297 V299 L300	N252-Y254 VanDerWaalsContact C-N 3.3Å; N252-Y254 PolarHBondContact O-N 3.43Å; N252-Y254 WeakPolarHBondContact OD1-CB 3.17Å; N252-Y254 PolarHBondContact OD1-N 3.08Å; N252-E255 PolarHBondContact O-N 3.48Å; N252-E255 WeakPolarHBondContact OD1-CB 3.17Å; N252-E255 WeakPolarHBondContact OD1-CG 3.18Å; N252-E255 PolarHBondContact OD1-N 3.44Å; N252-L256 PolarHBondContact O-N 3.39Å; N252-E297 VanDerWaalsContact CB-O 3.28Å; N252-E297 WeakPolarHBondContact CB-O 3.42Å; N252-V299 CarbonylContact C-O 3.58Å; N252-V299 VanDerWaalsContact CA-O 3.26Å; N252-V299 WeakPolarHBondContact CA-O 3.29Å; N252-L300 HydrophobicContact CB-CD1 3.64Å; N252-L300 HydrophobicContact CB-CG 4.05Å
253	L	98.5	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-27.7	-177.8	-67	-172	0	0	0	113	L256 I257 F273 P296 V299 L301 I309 L360	L253-L256 HydrophobicContact CD2-CD2 3.98Å; L253-L256 WeakPolarHBondContact O-CB 3.04Å; L253-L256 PolarHBondContact O-N 3.22Å; L253-I257 VanDerWaalsContact O-CG1 3.31Å; L253-I257 WeakPolarHBondContact O-CG1 3.39Å; L253-I257 PolarHBondContact O-N 2.99Å; L253-F273 HydrophobicContact CD1-CG 4.49Å; L253-F273 HydrophobicContact CD2-CD1 4.33Å; L253-F273 HydrophobicContact CD2-CE1 3.9Å; L253-F273 HydrophobicContact CD2-CE2 4.21Å; L253-F273 HydrophobicContact CD2-CZ 3.83Å; L253-P296 HydrophobicContact CB-CB 4.14Å; L253-P296 PolarHBondContact N-O 3.42Å; L253-V299 HydrophobicContact CD1-CB 3.79Å; L253-V299 HydrophobicContact CD1-CG1 3.54Å; L253-V299 HydrophobicContact CG-CB 3.94Å; L253-V299 HydrophobicContact CG-CG1 3.87Å; L253-V299 WeakPolarHBondContact CG-O 3.43Å; L253-V299 PolarHBondContact N-O 2.88Å; L253-L301 HydrophobicContact CD2-CD2 4.11Å; L253-I309 HydrophobicContact CD2-CG2 4.24Å; L253-L360 HydrophobicContact CB-CD2 4.15Å; L253-L360 HydrophobicContact CD1-CD1 4.08Å; L253-L360 HydrophobicContact CD1-CD2 4.04Å
254	Y	98.2	Very high	97.9	Very high	78 Å²	78	53.1 Å²	53.1	31%	0.306	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-48.1	173.2	-178.9	-105.5	0	0	0	111.8	N252 L256 I257 K258 P296 E297	N252-Y254 VanDerWaalsContact C-N 3.3Å; N252-Y254 PolarHBondContact O-N 3.43Å; N252-Y254 WeakPolarHBondContact OD1-CB 3.17Å; N252-Y254 PolarHBondContact OD1-N 3.08Å; Y254-L256 PolarHBondContact O-N 3.24Å; Y254-I257 WeakPolarHBondContact O-CB 3.07Å; Y254-I257 PolarHBondContact O-N 3.46Å; Y254-I257 VanDerWaalsContact O-N 3.14Å; Y254-K258 PolarHBondContact O-N 3.29Å; Y254-P296 PolarHBondContact N-O 3.18Å; Y254-E297 HydrophobicContact CG-CG 4.37Å
255	E	98	Very high	97.9	Very high	67 Å²	67	54 Å²	54	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-63.4	-31.4	174.9	-73	-59.9	144.8	0	0	111.5	I251 N252 K258 R259	I251-E255 HydrophobicContact CB-CB 4.11Å; I251-E255 HydrophobicContact CD1-CB 4.42Å; N252-E255 PolarHBondContact O-N 3.48Å; N252-E255 WeakPolarHBondContact OD1-CB 3.17Å; N252-E255 WeakPolarHBondContact OD1-CG 3.18Å; N252-E255 PolarHBondContact OD1-N 3.44Å; E255-K258 PolarHBondContact O-N 2.79Å; E255-R259 WeakPolarHBondContact O-CB 3.49Å; E255-R259 VanDerWaalsContact O-CG 3.28Å; E255-R259 WeakPolarHBondContact O-CG 3.41Å; E255-R259 PolarHBondContact O-N 3.32Å
256	L	98.2	Very high	97.9	Very high	35 Å²	35	57.5 Å²	57.5	18%	0.183	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-44.9	172	-172.5	65.9	0	0	0	111.9	I251 N252 L253 Y254 K258 R259 N260 F265 F273 L301	I251-L256 HydrophobicContact CD1-CB 4.05Å; I251-L256 HydrophobicContact CD1-CD1 4.1Å; N252-L256 PolarHBondContact O-N 3.39Å; L253-L256 HydrophobicContact CD2-CD2 3.98Å; L253-L256 WeakPolarHBondContact O-CB 3.04Å; L253-L256 PolarHBondContact O-N 3.22Å; Y254-L256 PolarHBondContact O-N 3.24Å; L256-K258 VanDerWaalsContact C-N 3.3Å; L256-K258 PolarHBondContact O-N 3.06Å; L256-R259 PolarHBondContact O-N 3.28Å; L256-N260 WeakPolarHBondContact O-CB 3.43Å; L256-N260 PolarHBondContact O-N 3.25Å; L256-F265 HydrophobicContact CB-CZ 4.32Å; L256-F265 HydrophobicContact CD2-CE1 4.44Å; L256-F265 HydrophobicContact CD2-CE2 4.39Å; L256-F265 HydrophobicContact CD2-CZ 3.94Å; L256-F265 HydrophobicContact CG-CE1 4.18Å; L256-F265 HydrophobicContact CG-CE2 4.49Å; L256-F265 HydrophobicContact CG-CZ 3.67Å; L256-F273 HydrophobicContact CD2-CE2 4.2Å; L256-F273 HydrophobicContact CD2-CZ 3.81Å; L256-L301 HydrophobicContact CD1-CD1 4.18Å; L256-L301 HydrophobicContact CD2-CD1 4.17Å; L256-L301 HydrophobicContact CD2-CD2 4.34Å
257	I	98.5	Very high	97.8	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-46.3	174.5	-68.5	159.7	0	0	0	110.1	L253 Y254 N260 K261 F262 F265 E359 L360	L253-I257 VanDerWaalsContact O-CG1 3.31Å; L253-I257 WeakPolarHBondContact O-CG1 3.39Å; L253-I257 PolarHBondContact O-N 2.99Å; Y254-I257 WeakPolarHBondContact O-CB 3.07Å; Y254-I257 PolarHBondContact O-N 3.46Å; Y254-I257 VanDerWaalsContact O-N 3.14Å; I257-N260 CarbonylContact O-C 3.53Å; I257-N260 WeakPolarHBondContact O-CA 3.27Å; I257-N260 PolarHBondContact O-N 3.06Å; I257-K261 PolarHBondContact O-N 2.83Å; I257-F262 HydrophobicContact CG2-CD1 3.62Å; I257-F262 HydrophobicContact CG2-CE1 4.15Å; I257-F262 HydrophobicContact CG2-CG 4.38Å; I257-F262 PolarHBondContact O-N 3.38Å; I257-F265 HydrophobicContact CG1-CE2 3.63Å; I257-F265 HydrophobicContact CG1-CZ 4.06Å; I257-E359 HydrophobicContact CD1-CG 3.92Å; I257-L360 HydrophobicContact CD1-CD2 4.01Å; I257-L360 HydrophobicContact CG1-CD2 4.16Å
258	K	98.2	Very high	97.8	Very high	105 Å²	105	60.7 Å²	60.7	46%	0.457	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-43.6	179	-174.2	-177.2	-178.5	-174	0	112.4	Y254 E255 L256 N260 K261 F262	Y254-K258 PolarHBondContact O-N 3.29Å; E255-K258 PolarHBondContact O-N 2.79Å; L256-K258 VanDerWaalsContact C-N 3.3Å; L256-K258 PolarHBondContact O-N 3.06Å; K258-N260 PolarHBondContact O-N 2.69Å; K258-K261 WeakPolarHBondContact O-CA 3.4Å; K258-K261 PolarHBondContact O-N 2.82Å; K258-F262 HydrophobicContact CB-CE2 4.49Å; K258-F262 HydrophobicContact CB-CZ 4.04Å; K258-F262 HydrophobicContact CG-CE2 4.16Å; K258-F262 HydrophobicContact CG-CZ 3.95Å
259	R	97.4	Very high	97.8	Very high	140 Å²	140	60 Å²	60	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-33.8	174.1	-78	-178.9	-175.1	-164.2	-0.4	112.1	E255 L256 K261	E255-R259 WeakPolarHBondContact O-CB 3.49Å; E255-R259 VanDerWaalsContact O-CG 3.28Å; E255-R259 WeakPolarHBondContact O-CG 3.41Å; E255-R259 PolarHBondContact O-N 3.32Å; L256-R259 PolarHBondContact O-N 3.28Å; R259-K261 PolarHBondContact O-N 2.9Å
260	N	97.4	Very high	97.8	Very high	61 Å²	61	58.9 Å²	58.9	33%	0.326	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	16.7	171.9	-164.3	44.7	0	0	0	113.4	L256 I257 K258 F262 Q263 G264 F265	L256-N260 WeakPolarHBondContact O-CB 3.43Å; L256-N260 PolarHBondContact O-N 3.25Å; I257-N260 CarbonylContact O-C 3.53Å; I257-N260 WeakPolarHBondContact O-CA 3.27Å; I257-N260 PolarHBondContact O-N 3.06Å; K258-N260 PolarHBondContact O-N 2.69Å; N260-F262 PolarHBondContact O-N 2.8Å; N260-Q263 WeakPolarHBondContact O-CB 3.4Å; N260-Q263 WeakPolarHBondContact O-CG 3.31Å; N260-Q263 PolarHBondContact O-N 2.76Å; N260-Q263 VanDerWaalsContact O-N 3.08Å; N260-G264 PolarHBondContact ND2-O 3.14Å; N260-F265 HydrophobicContact CB-CE1 3.7Å; N260-F265 HydrophobicContact CB-CZ 4.22Å; N260-F265 WeakPolarHBondContact ND2-CE1 3.43Å
261	K	98.3	Very high	97.8	Very high	163 Å²	163	58.5 Å²	58.5	71%	0.709	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	36	175.9	-55.1	179.2	-177.5	177.6	0	113.4	I257 K258 R259 Q263	I257-K261 PolarHBondContact O-N 2.83Å; K258-K261 WeakPolarHBondContact O-CA 3.4Å; K258-K261 PolarHBondContact O-N 2.82Å; R259-K261 PolarHBondContact O-N 2.9Å; K261-Q263 HydrophobicContact CB-CG 4.46Å; K261-Q263 PolarHBondContact O-N 3.35Å; K261-Q263 VanDerWaalsContact O-N 3.11Å; K261-Q263 PolarHBondContact O-NE2 3.26Å
262	F	98.1	Very high	97.8	Very high	65 Å²	65	61.1 Å²	61.1	29%	0.285	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	26.1	179.5	-50.5	-87.9	0	0	0	114.3	I257 K258 N260 G264 G363 Y364	I257-F262 HydrophobicContact CG2-CD1 3.62Å; I257-F262 HydrophobicContact CG2-CE1 4.15Å; I257-F262 HydrophobicContact CG2-CG 4.38Å; I257-F262 PolarHBondContact O-N 3.38Å; K258-F262 HydrophobicContact CB-CE2 4.49Å; K258-F262 HydrophobicContact CB-CZ 4.04Å; K258-F262 HydrophobicContact CG-CE2 4.16Å; K258-F262 HydrophobicContact CG-CZ 3.95Å; N260-F262 PolarHBondContact O-N 2.8Å; F262-G264 PolarHBondContact O-N 3.44Å; F262-G363 WeakPolarHBondContact CD1-O 3.43Å; F262-Y364 HydrophobicContact CB-CE2 3.88Å; F262-Y364 WeakPolarHBondContact O-CE2 3.48Å
263	Q	98.1	Very high	97.9	Very high	137 Å²	137	59.5 Å²	59.5	64%	0.64	28%	0.279	S	S	*	.			trans	-77.9	-7.1	178.2	-64.6	-59.4	-53	0	0	113.4	N260 K261	N260-Q263 WeakPolarHBondContact O-CB 3.4Å; N260-Q263 WeakPolarHBondContact O-CG 3.31Å; N260-Q263 PolarHBondContact O-N 2.76Å; N260-Q263 VanDerWaalsContact O-N 3.08Å; K261-Q263 HydrophobicContact CB-CG 4.46Å; K261-Q263 PolarHBondContact O-N 3.35Å; K261-Q263 VanDerWaalsContact O-N 3.11Å; K261-Q263 PolarHBondContact O-NE2 3.26Å
264	G	98	Very high	97.9	Very high	10 Å²	10	59.5 Å²	59.5	10%	0.103	28%	0.279	C	S	.	.			trans	76.4	166.5	-173	0	0	0	0	0	113.1	N260 F262 L361	N260-G264 PolarHBondContact ND2-O 3.14Å; F262-G264 PolarHBondContact O-N 3.44Å; G264-L361 WeakPolarHBondContact CA-O 3.45Å
265	F	98.3	Very high	97.9	Very high	18 Å²	18	61.5 Å²	61.5	8%	0.079	29%	0.287	C	S	.	.			trans	-108.9	158	-179.8	-59.7	-57.3	0	0	0	111.8	L256 I257 N260 L269 V270 L360 L361	L256-F265 HydrophobicContact CB-CZ 4.32Å; L256-F265 HydrophobicContact CD2-CE1 4.44Å; L256-F265 HydrophobicContact CD2-CE2 4.39Å; L256-F265 HydrophobicContact CD2-CZ 3.94Å; L256-F265 HydrophobicContact CG-CE1 4.18Å; L256-F265 HydrophobicContact CG-CE2 4.49Å; L256-F265 HydrophobicContact CG-CZ 3.67Å; I257-F265 HydrophobicContact CG1-CE2 3.63Å; I257-F265 HydrophobicContact CG1-CZ 4.06Å; N260-F265 HydrophobicContact CB-CE1 3.7Å; N260-F265 HydrophobicContact CB-CZ 4.22Å; N260-F265 WeakPolarHBondContact ND2-CE1 3.43Å; F265-L269 HydrophobicContact CB-CB 4.41Å; F265-L269 HydrophobicContact CB-CD2 4.11Å; F265-L269 HydrophobicContact CB-CG 4.46Å; F265-L269 HydrophobicContact CD1-CD2 3.92Å; F265-L269 HydrophobicContact CG-CD2 4.04Å; F265-V270 HydrophobicContact CB-CG2 4.04Å; F265-L360 WeakPolarHBondContact CB-O 2.98Å; F265-L360 HydrophobicContact CD2-CB 4.07Å; F265-L360 HydrophobicContact CD2-CD2 3.92Å; F265-L360 WeakPolarHBondContact CD2-O 3.49Å; F265-L360 HydrophobicContact CE2-CD2 3.72Å; F265-L360 PolarHBondContact N-O 2.92Å; F265-L361 PolarHBondContact N-O 3.46Å; F265-L361 WeakPolarHBondContact O-CD1 3.31Å
266	S	97.9	Very high	97.9	Very high	75 Å²	75	59.1 Å²	59.1	52%	0.524	28%	0.278	S	S	.	.			trans	-61.9	145.9	172.6	70.1	0	0	0	0	111.2	M268 L269 V270	S266-M268 PolarHBondContact O-N 3.46Å; S266-L269 PolarHBondContact O-N 3.18Å; S266-L269 PolarHBondContact OG-N 3.26Å; S266-V270 WeakPolarHBondContact O-CG2 3.49Å; S266-V270 PolarHBondContact O-N 3.32Å
267	L	96.4	Very high	97.9	Very high	36 Å²	36	57.5 Å²	57.5	19%	0.188	27%	0.269	C	S	.	.	H	α-helix	trans	-53.8	-31.5	176.2	-80.6	172	0	0	0	112.7	R271 L361 D450 F453	L267-R271 VanDerWaalsContact O-CB 3.26Å; L267-R271 WeakPolarHBondContact O-CB 3.46Å; L267-R271 PolarHBondContact O-N 3.22Å; L267-L361 HydrophobicContact CD2-CD1 3.7Å; L267-L361 HydrophobicContact CD2-CD2 3.95Å; L267-L361 HydrophobicContact CD2-CG 4.45Å; L267-L361 HydrophobicContact CG-CD1 3.88Å; L267-D450 HydrophobicContact CD1-CB 4.15Å; L267-F453 HydrophobicContact CD2-CB 4.15Å; L267-F453 HydrophobicContact CD2-CD1 4.01Å; L267-F453 HydrophobicContact CD2-CD2 4.28Å; L267-F453 HydrophobicContact CD2-CE1 4.49Å; L267-F453 HydrophobicContact CD2-CG 3.87Å
268	M	96.2	Very high	97.9	Very high	98 Å²	98	57.4 Å²	57.4	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-41.8	175	-69.1	-174.8	72.5	0	0	112.7	S266 R271 K272	S266-M268 PolarHBondContact O-N 3.46Å; M268-R271 WeakPolarHBondContact O-CB 3.34Å; M268-K272 PolarHBondContact O-N 3.39Å
269	L	97.5	Very high	97.9	Very high	46 Å²	46	54.3 Å²	54.3	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-72	-42.5	177.3	-178.6	57.1	0	0	0	111.1	F265 S266 R271 K272 F273	F265-L269 HydrophobicContact CB-CB 4.41Å; F265-L269 HydrophobicContact CB-CD2 4.11Å; F265-L269 HydrophobicContact CB-CG 4.46Å; F265-L269 HydrophobicContact CD1-CD2 3.92Å; F265-L269 HydrophobicContact CG-CD2 4.04Å; S266-L269 PolarHBondContact O-N 3.18Å; S266-L269 PolarHBondContact OG-N 3.26Å; L269-R271 PolarHBondContact O-N 3.33Å; L269-K272 WeakPolarHBondContact O-CB 3.48Å; L269-K272 PolarHBondContact O-N 2.79Å; L269-K272 VanDerWaalsContact O-N 3.07Å; L269-F273 HydrophobicContact CD1-CD2 4.27Å; L269-F273 HydrophobicContact CD1-CE1 4.36Å; L269-F273 HydrophobicContact CD1-CE2 3.73Å; L269-F273 HydrophobicContact CD1-CZ 3.78Å; L269-F273 HydrophobicContact CD2-CE2 3.98Å; L269-F273 HydrophobicContact CD2-CZ 4.39Å; L269-F273 HydrophobicContact CG-CD2 4.05Å; L269-F273 HydrophobicContact CG-CE2 3.53Å; L269-F273 HydrophobicContact CG-CZ 4.07Å; L269-F273 WeakPolarHBondContact O-CD2 2.98Å; L269-F273 PolarHBondContact O-N 3.37Å
270	V	98.6	Very high	98	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56.1	-41.4	173.5	179.8	0	0	0	0	110.7	F265 S266 K272 F273 A274 L357 L360 L361 F453 W479	F265-V270 HydrophobicContact CB-CG2 4.04Å; S266-V270 WeakPolarHBondContact O-CG2 3.49Å; S266-V270 PolarHBondContact O-N 3.32Å; V270-K272 PolarHBondContact O-N 2.98Å; V270-F273 PolarHBondContact O-N 3.04Å; V270-A274 WeakPolarHBondContact O-CB 3.21Å; V270-A274 PolarHBondContact O-N 2.96Å; V270-L357 HydrophobicContact CG1-CB 4.23Å; V270-L357 HydrophobicContact CG1-CD2 3.98Å; V270-L360 HydrophobicContact CG1-CB 4.49Å; V270-L360 HydrophobicContact CG2-CB 4.08Å; V270-L361 HydrophobicContact CG2-CB 4.18Å; V270-L361 HydrophobicContact CG2-CD1 4.41Å; V270-F453 HydrophobicContact CG1-CE2 4.07Å; V270-F453 HydrophobicContact CG1-CZ 4.29Å; V270-W479 HydrophobicContact CG1-CH2 4.19Å; V270-W479 HydrophobicContact CG1-CZ2 4.29Å
271	R	97.7	Very high	98	Very high	26 Å²	26	45 Å²	45	10%	0.098	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-42.4	175	-169.1	-177.9	-66.4	100.6	8.1	113	L267 M268 L269 A274 Y275 W479 L480	L267-R271 VanDerWaalsContact O-CB 3.26Å; L267-R271 WeakPolarHBondContact O-CB 3.46Å; L267-R271 PolarHBondContact O-N 3.22Å; M268-R271 WeakPolarHBondContact O-CB 3.34Å; L269-R271 PolarHBondContact O-N 3.33Å; R271-A274 PolarHBondContact O-N 2.82Å; R271-Y275 PolarHBondContact O-N 2.97Å; R271-W479 HydrophobicContact CB-CH2 4.35Å; R271-W479 HydrophobicContact CB-CZ2 3.95Å; R271-W479 WeakPolarHBondContact CD-O 3.23Å; R271-W479 HydrophobicContact CG-CZ2 4.37Å; R271-W479 PolarHBondContact NE-O 3.25Å; R271-L480 HydrophobicContact CG-CD2 3.57Å
272	K	97.3	Very high	98	Very high	87 Å²	87	38.3 Å²	38.3	38%	0.378	19%	0.189	S	C	.	.	H	α-helix	trans	-63.9	-41.8	176.8	-71	-175.4	179.6	-174.4	0	111.9	M268 L269 V270 S276 L484	M268-K272 PolarHBondContact O-N 3.39Å; L269-K272 WeakPolarHBondContact O-CB 3.48Å; L269-K272 PolarHBondContact O-N 2.79Å; L269-K272 VanDerWaalsContact O-N 3.07Å; V270-K272 PolarHBondContact O-N 2.98Å; K272-S276 PolarHBondContact O-N 2.84Å; K272-S276 VanDerWaalsContact O-N 3.1Å; K272-S276 PolarHBondContact O-OG 3.17Å; K272-L484 HydrophobicContact CG-CD2 4.36Å
273	F	98.6	Very high	98	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-66.2	-43.2	175.3	-67.5	-43.2	0	0	0	111.8	L253 L256 L269 V270 Y275 S276 M277 L301 S307 I309 L360	L253-F273 HydrophobicContact CD1-CG 4.49Å; L253-F273 HydrophobicContact CD2-CD1 4.33Å; L253-F273 HydrophobicContact CD2-CE1 3.9Å; L253-F273 HydrophobicContact CD2-CE2 4.21Å; L253-F273 HydrophobicContact CD2-CZ 3.83Å; L256-F273 HydrophobicContact CD2-CE2 4.2Å; L256-F273 HydrophobicContact CD2-CZ 3.81Å; L269-F273 HydrophobicContact CD1-CD2 4.27Å; L269-F273 HydrophobicContact CD1-CE1 4.36Å; L269-F273 HydrophobicContact CD1-CE2 3.73Å; L269-F273 HydrophobicContact CD1-CZ 3.78Å; L269-F273 HydrophobicContact CD2-CE2 3.98Å; L269-F273 HydrophobicContact CD2-CZ 4.39Å; L269-F273 HydrophobicContact CG-CD2 4.05Å; L269-F273 HydrophobicContact CG-CE2 3.53Å; L269-F273 HydrophobicContact CG-CZ 4.07Å; L269-F273 WeakPolarHBondContact O-CD2 2.98Å; L269-F273 PolarHBondContact O-N 3.37Å; V270-F273 PolarHBondContact O-N 3.04Å; F273-Y275 PolarHBondContact O-N 2.96Å; F273-S276 PolarHBondContact O-N 3.09Å; F273-M277 HydrophobicContact CB-CE 4.18Å; F273-M277 WeakPolarHBondContact O-CE 3.17Å; F273-M277 WeakPolarHBondContact O-CG 3.33Å; F273-M277 PolarHBondContact O-N 3.36Å; F273-L301 HydrophobicContact CE1-CD2 3.85Å; F273-L301 HydrophobicContact CZ-CD2 4.12Å; F273-S307 WeakPolarHBondContact CE1-O 3.43Å; F273-I309 HydrophobicContact CD1-CG2 3.7Å; F273-I309 HydrophobicContact CE1-CG2 3.67Å; F273-L360 HydrophobicContact CB-CD1 4.12Å; F273-L360 HydrophobicContact CD2-CD1 4.06Å; F273-L360 HydrophobicContact CG-CD1 4.45Å
274	A	98.7	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.3	-51.2	175.4	0	0	0	0	0	111.8	V270 R271 S276 M277 L278 L357 W479 L480	V270-A274 WeakPolarHBondContact O-CB 3.21Å; V270-A274 PolarHBondContact O-N 2.96Å; R271-A274 PolarHBondContact O-N 2.82Å; A274-S276 VanDerWaalsContact C-N 3.34Å; A274-S276 PolarHBondContact O-N 3.45Å; A274-M277 PolarHBondContact O-N 3.13Å; A274-L278 WeakPolarHBondContact O-CB 3.34Å; A274-L278 WeakPolarHBondContact O-CD1 3.49Å; A274-L278 VanDerWaalsContact O-CG 3.25Å; A274-L278 WeakPolarHBondContact O-CG 3.33Å; A274-L278 PolarHBondContact O-N 2.81Å; A274-L357 HydrophobicContact CB-CD1 3.76Å; A274-L357 HydrophobicContact CB-CD2 3.61Å; A274-L357 HydrophobicContact CB-CG 4.35Å; A274-W479 HydrophobicContact CB-CH2 3.64Å; A274-W479 HydrophobicContact CB-CZ3 3.58Å; A274-L480 HydrophobicContact CB-CD2 4.18Å
275	Y	98.3	Very high	98	Very high	119 Å²	119	31 Å²	31	47%	0.467	15%	0.154	S	C	.	.	H	α-helix	trans	-57	-47.5	177.7	-177.1	-95.8	0	0	0	111.7	R271 F273 M277 L278 L279 L475	R271-Y275 PolarHBondContact O-N 2.97Å; F273-Y275 PolarHBondContact O-N 2.96Å; Y275-M277 PolarHBondContact O-N 2.76Å; Y275-L278 PolarHBondContact O-N 3.42Å; Y275-L279 HydrophobicContact CD1-CD1 4.2Å; Y275-L279 HydrophobicContact CD1-CG 4.46Å; Y275-L279 HydrophobicContact CE1-CD1 3.69Å; Y275-L279 HydrophobicContact CE1-CD2 4.31Å; Y275-L279 HydrophobicContact CE1-CG 4.12Å; Y275-L279 WeakPolarHBondContact O-CG 3.39Å; Y275-L279 PolarHBondContact O-N 3.41Å; Y275-L279 VanDerWaalsContact O-N 3.13Å; Y275-L475 HydrophobicContact CD2-CD2 3.78Å; Y275-L475 HydrophobicContact CE2-CD2 3.79Å
276	S	98.1	Very high	98	Very high	18 Å²	18	36.9 Å²	36.9	13%	0.126	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-40.2	-178.3	-55.2	0	0	0	0	113	N228 K272 F273 A274 L279 I309	N228-S276 PolarHBondContact ND2-O 3.27Å; K272-S276 PolarHBondContact O-N 2.84Å; K272-S276 VanDerWaalsContact O-N 3.1Å; K272-S276 PolarHBondContact O-OG 3.17Å; F273-S276 PolarHBondContact O-N 3.09Å; A274-S276 VanDerWaalsContact C-N 3.34Å; A274-S276 PolarHBondContact O-N 3.45Å; S276-L279 PolarHBondContact O-N 3.42Å; S276-I309 VanDerWaalsContact CB-CG1 3.46Å
277	M	98.8	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.8	-36.8	175.3	-72.5	-175.5	-75.1	0	0	111.7	F273 A274 Y275 L279 C280 L281 V299 I309 L353 I356 L357 L360	F273-M277 HydrophobicContact CB-CE 4.18Å; F273-M277 WeakPolarHBondContact O-CE 3.17Å; F273-M277 WeakPolarHBondContact O-CG 3.33Å; F273-M277 PolarHBondContact O-N 3.36Å; A274-M277 PolarHBondContact O-N 3.13Å; Y275-M277 PolarHBondContact O-N 2.76Å; M277-L279 VanDerWaalsContact C-N 3.33Å; M277-L279 PolarHBondContact O-N 3.36Å; M277-C280 WeakPolarHBondContact O-CB 3.43Å; M277-C280 PolarHBondContact O-N 3.15Å; M277-C280 VanDerWaalsContact O-N 3.17Å; M277-L281 WeakPolarHBondContact O-CG 3.33Å; M277-L281 PolarHBondContact O-N 3.12Å; M277-V299 HydrophobicContact CG-CG1 4.29Å; M277-V299 HydrophobicContact CG-CG2 4.44Å; M277-V299 HydrophobicContact SD-CG1 4.37Å; M277-V299 HydrophobicContact SD-CG2 3.94Å; M277-I309 HydrophobicContact CG-CD1 4.11Å; M277-L353 HydrophobicContact CB-CD1 3.94Å; M277-L353 HydrophobicContact CE-CD1 3.56Å; M277-L353 HydrophobicContact SD-CD1 3.91Å; M277-I356 HydrophobicContact CE-CG2 4.08Å; M277-I356 HydrophobicContact SD-CG2 4.22Å; M277-L357 HydrophobicContact CE-CD2 3.6Å; M277-L360 HydrophobicContact CE-CD1 4.33Å
278	L	98.7	Very high	98	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-31.4	178	-77	164.4	0	0	0	113.3	A274 Y275 C280 L281 D282 M350 L353 F456 P471 A474 L475 L480	A274-L278 WeakPolarHBondContact O-CB 3.34Å; A274-L278 WeakPolarHBondContact O-CD1 3.49Å; A274-L278 VanDerWaalsContact O-CG 3.25Å; A274-L278 WeakPolarHBondContact O-CG 3.33Å; A274-L278 PolarHBondContact O-N 2.81Å; Y275-L278 PolarHBondContact O-N 3.42Å; L278-C280 VanDerWaalsContact C-N 3.26Å; L278-C280 PolarHBondContact O-N 2.92Å; L278-L281 PolarHBondContact O-N 2.93Å; L278-D282 VanDerWaalsContact O-CB 3.23Å; L278-D282 WeakPolarHBondContact O-CB 3.43Å; L278-D282 PolarHBondContact O-N 3.34Å; L278-M350 HydrophobicContact CD2-CE 4.05Å; L278-M350 HydrophobicContact CD2-SD 3.95Å; L278-L353 HydrophobicContact CD2-CD2 3.62Å; L278-L353 HydrophobicContact CG-CD2 3.92Å; L278-F456 HydrophobicContact CD1-CZ 4.15Å; L278-P471 HydrophobicContact CD2-CB 3.98Å; L278-A474 HydrophobicContact CD1-CB 3.88Å; L278-A474 HydrophobicContact CD2-CB 3.58Å; L278-A474 HydrophobicContact CG-CB 4.41Å; L278-L475 HydrophobicContact CB-CD2 3.74Å; L278-L475 HydrophobicContact CB-CG 3.98Å; L278-L475 HydrophobicContact CD1-CD2 4.25Å; L278-L475 HydrophobicContact CD1-CG 4.44Å; L278-L480 HydrophobicContact CD1-CD1 3.28Å
279	L	98.1	Very high	98.1	Very high	40 Å²	40	34.6 Å²	34.6	21%	0.209	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-38.7	172.1	-65.1	-179.7	0	0	0	111.6	T226 Y275 S276 M277 L283 L475	T226-L279 WeakPolarHBondContact O-CD1 3.49Å; Y275-L279 HydrophobicContact CD1-CD1 4.2Å; Y275-L279 HydrophobicContact CD1-CG 4.46Å; Y275-L279 HydrophobicContact CE1-CD1 3.69Å; Y275-L279 HydrophobicContact CE1-CD2 4.31Å; Y275-L279 HydrophobicContact CE1-CG 4.12Å; Y275-L279 WeakPolarHBondContact O-CG 3.39Å; Y275-L279 PolarHBondContact O-N 3.41Å; Y275-L279 VanDerWaalsContact O-N 3.13Å; S276-L279 PolarHBondContact O-N 3.42Å; M277-L279 VanDerWaalsContact C-N 3.33Å; M277-L279 PolarHBondContact O-N 3.36Å; L279-L283 PolarHBondContact O-N 3.2Å; L279-L475 HydrophobicContact CD2-CD2 4.43Å
280	C	98.5	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.8	-54.5	172.6	172.1	0	0	0	0	110.6	H227 I229 M277 L278 D282 L283 L284 V311	H227-C280 WeakPolarHBondContact O-CA 3.34Å; H227-C280 VanDerWaalsContact O-CB 3.26Å; H227-C280 WeakPolarHBondContact O-CB 3.43Å; H227-C280 PolarHBondContact O-N 3.14Å; H227-C280 VanDerWaalsContact O-N 3.15Å; I229-C280 HydrophobicContact CG1-CB 4.24Å; M277-C280 WeakPolarHBondContact O-CB 3.43Å; M277-C280 PolarHBondContact O-N 3.15Å; M277-C280 VanDerWaalsContact O-N 3.17Å; L278-C280 VanDerWaalsContact C-N 3.26Å; L278-C280 PolarHBondContact O-N 2.92Å; C280-D282 VanDerWaalsContact C-N 3.28Å; C280-D282 PolarHBondContact O-N 2.78Å; C280-L283 PolarHBondContact O-N 3.19Å; C280-L283 VanDerWaalsContact O-N 3.11Å; C280-L284 WeakPolarHBondContact O-CG 3.41Å; C280-L284 PolarHBondContact O-N 3.2Å; C280-V311 HydrophobicContact CB-CB 4.47Å; C280-V311 HydrophobicContact CB-CG2 3.87Å
281	L	98.7	Very high	98.1	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-33.1	-176.1	-63.5	-177.9	0	0	0	113.3	M277 L278 L284 Q285 L294 D349 M350 L353 P471	M277-L281 WeakPolarHBondContact O-CG 3.33Å; M277-L281 PolarHBondContact O-N 3.12Å; L278-L281 PolarHBondContact O-N 2.93Å; L281-L284 HydrophobicContact CD2-CD1 4.23Å; L281-L284 PolarHBondContact O-N 3.21Å; L281-Q285 WeakPolarHBondContact O-CB 3.31Å; L281-Q285 PolarHBondContact O-N 2.8Å; L281-L294 HydrophobicContact CD1-CD2 4.21Å; L281-L294 HydrophobicContact CD2-CD2 4.27Å; L281-D349 HydrophobicContact CD2-CB 3.9Å; L281-M350 HydrophobicContact CD1-SD 3.91Å; L281-L353 HydrophobicContact CD1-CB 4.22Å; L281-L353 HydrophobicContact CD1-CD2 4.11Å; L281-P471 HydrophobicContact CB-CB 4.05Å; L281-P471 HydrophobicContact CB-CG 3.71Å
282	D	98.4	Very high	98.1	Very high	21 Å²	21	31.2 Å²	31.2	11%	0.112	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-40.9	175	-173.1	69.2	0	0	0	111.9	L278 C280 Q285 K286 P471 L475	L278-D282 VanDerWaalsContact O-CB 3.23Å; L278-D282 WeakPolarHBondContact O-CB 3.43Å; L278-D282 PolarHBondContact O-N 3.34Å; C280-D282 VanDerWaalsContact C-N 3.28Å; C280-D282 PolarHBondContact O-N 2.78Å; D282-Q285 PolarHBondContact O-N 3.32Å; D282-K286 WeakPolarHBondContact O-CG 3.32Å; D282-K286 PolarHBondContact O-N 3.42Å; D282-K286 WeakPolarHBondContact OD2-CE 3.43Å; D282-K286 IonicContact OD2-NZ 2.76Å; D282-K286 PolarHBondContact OD2-NZ 3.03Å; D282-P471 HydrophobicContact CB-CB 4Å; D282-L475 HydrophobicContact CB-CD1 4.18Å
283	L	97.9	Very high	98.1	Very high	5 Å²	5	27 Å²	27	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-66.5	-40.9	173.8	-175.4	61.7	0	0	0	111.9	L218 Q221 D222 H227 I229 L279 C280 Q285 K286 N287	L218-L283 HydrophobicContact CD2-CD2 4.23Å; L218-L283 HydrophobicContact CD2-CG 4.23Å; Q221-L283 HydrophobicContact CB-CD1 4.1Å; Q221-L283 HydrophobicContact CB-CD2 4.39Å; D222-L283 HydrophobicContact CB-CD2 4.4Å; H227-L283 HydrophobicContact CB-CB 4.34Å; H227-L283 HydrophobicContact CB-CD2 3.67Å; I229-L283 HydrophobicContact CD1-CD2 3.66Å; I229-L283 HydrophobicContact CD1-CG 4.49Å; L279-L283 PolarHBondContact O-N 3.2Å; C280-L283 PolarHBondContact O-N 3.19Å; C280-L283 VanDerWaalsContact O-N 3.11Å; L283-Q285 VanDerWaalsContact C-N 3.32Å; L283-Q285 PolarHBondContact O-N 3.17Å; L283-K286 PolarHBondContact O-N 3.03Å; L283-N287 PolarHBondContact O-N 2.95Å; L283-N287 PolarHBondContact O-ND2 2.64Å
284	L	98.3	Very high	98.1	Very high	2 Å²	2	27 Å²	27	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-43.4	175	-60.1	-170.7	0	0	0	111	L218 I229 C280 L281 K286 N287 R288 L289 H291 F314	L218-L284 HydrophobicContact CD1-CD2 3.76Å; L218-L284 HydrophobicContact CD2-CD2 3.91Å; I229-L284 HydrophobicContact CD1-CD2 4.45Å; C280-L284 WeakPolarHBondContact O-CG 3.41Å; C280-L284 PolarHBondContact O-N 3.2Å; L281-L284 HydrophobicContact CD2-CD1 4.23Å; L281-L284 PolarHBondContact O-N 3.21Å; L284-K286 PolarHBondContact O-N 2.96Å; L284-N287 CarbonylContact O-C 3.57Å; L284-N287 PolarHBondContact O-N 3.49Å; L284-N287 VanDerWaalsContact O-N 3.09Å; L284-R288 PolarHBondContact O-N 3.28Å; L284-L289 HydrophobicContact CB-CB 4.18Å; L284-L289 HydrophobicContact CD2-CB 4.24Å; L284-L289 HydrophobicContact CD2-CD1 4.39Å; L284-L289 PolarHBondContact O-N 2.89Å; L284-H291 HydrophobicContact CD1-CB 4.02Å; L284-F314 HydrophobicContact CD1-CE1 4.13Å; L284-F314 HydrophobicContact CD2-CE1 3.8Å; L284-F314 HydrophobicContact CD2-CZ 4.44Å
285	Q	97.6	Very high	98.1	Very high	53 Å²	53	27.8 Å²	27.8	25%	0.248	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-44.6	178.2	-174.6	173.7	-83.7	0	0	112.1	L281 D282 L283 N287 R288 M346 P471	L281-Q285 WeakPolarHBondContact O-CB 3.31Å; L281-Q285 PolarHBondContact O-N 2.8Å; D282-Q285 PolarHBondContact O-N 3.32Å; L283-Q285 VanDerWaalsContact C-N 3.32Å; L283-Q285 PolarHBondContact O-N 3.17Å; Q285-N287 PolarHBondContact O-N 3.43Å; Q285-R288 PolarHBondContact O-N 3.16Å; Q285-M346 HydrophobicContact CB-SD 4.24Å; Q285-M346 HydrophobicContact CG-CE 4.32Å; Q285-M346 HydrophobicContact CG-SD 3.89Å; Q285-P471 HydrophobicContact CB-CG 4.45Å
286	K	97.1	Very high	98.1	Very high	140 Å²	140	22.1 Å²	22.1	61%	0.609	10%	0.1	S	C	*	.	H	α-helix	trans	-59.6	-29.8	176	-74.1	164.8	175.4	161.1	0	112.9	D282 L283 L284	D282-K286 WeakPolarHBondContact O-CG 3.32Å; D282-K286 PolarHBondContact O-N 3.42Å; D282-K286 WeakPolarHBondContact OD2-CE 3.43Å; D282-K286 IonicContact OD2-NZ 2.76Å; D282-K286 PolarHBondContact OD2-NZ 3.03Å; L283-K286 PolarHBondContact O-N 3.03Å; L284-K286 PolarHBondContact O-N 2.96Å
287	N	97.3	Very high	98.1	Very high	24 Å²	24	24.5 Å²	24.5	13%	0.128	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	5.1	178.6	-74.9	-81.1	0	0	0	113.9	H217 Q221 L283 L284 Q285 L289	H217-N287 PolarHBondContact NE2-OD1 2.81Å; Q221-N287 PolarHBondContact NE2-ND2 3.43Å; Q221-N287 PolarHBondContact NE2-OD1 3.1Å; Q221-N287 PolarHBondContact OE1-ND2 3.34Å; Q221-N287 PolarHBondContact OE1-OD1 3.22Å; L283-N287 PolarHBondContact O-N 2.95Å; L283-N287 PolarHBondContact O-ND2 2.64Å; L284-N287 CarbonylContact O-C 3.57Å; L284-N287 PolarHBondContact O-N 3.49Å; L284-N287 VanDerWaalsContact O-N 3.09Å; Q285-N287 PolarHBondContact O-N 3.43Å; N287-L289 HydrophobicContact CB-CD1 3.82Å; N287-L289 HydrophobicContact CB-CG 4.15Å; N287-L289 PolarHBondContact O-N 3.05Å
288	R	97.5	Very high	98	Very high	134 Å²	134	25 Å²	25	51%	0.506	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	36.9	-175.2	-56.1	-176.6	63.3	-171.5	-3.6	112.8	L284 Q285 F319 D320	L284-R288 PolarHBondContact O-N 3.28Å; Q285-R288 PolarHBondContact O-N 3.16Å; R288-F319 WeakPolarHBondContact O-CA 3.44Å; R288-D320 HydrophobicContact CB-CB 4.26Å; R288-D320 IonicContact CZ-OD2 2.85Å; R288-D320 IonicContact NE-OD2 3.33Å; R288-D320 IonicContact NH2-OD2 3.88Å; R288-D320 PolarHBondContact NH2-OD2 3.45Å; R288-D320 WeakPolarHBondContact O-CB 3.43Å; R288-D320 PolarHBondContact O-N 3.18Å
289	L	97.7	Very high	98	Very high	3 Å²	3	25 Å²	25	2%	0.016	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.5	179.6	-79.3	167.2	0	0	0	110.7	I214 L218 L284 N287 F319	I214-L289 HydrophobicContact CD1-CD2 4.07Å; I214-L289 HydrophobicContact CG1-CD2 4.04Å; I214-L289 HydrophobicContact CG2-CD1 4.07Å; I214-L289 HydrophobicContact CG2-CD2 4.21Å; L218-L289 HydrophobicContact CD1-CD1 4.18Å; L218-L289 HydrophobicContact CD2-CD1 3.83Å; L218-L289 HydrophobicContact CG-CD1 4.08Å; L284-L289 HydrophobicContact CB-CB 4.18Å; L284-L289 HydrophobicContact CD2-CB 4.24Å; L284-L289 HydrophobicContact CD2-CD1 4.39Å; L284-L289 PolarHBondContact O-N 2.89Å; N287-L289 HydrophobicContact CB-CD1 3.82Å; N287-L289 HydrophobicContact CB-CG 4.15Å; N287-L289 PolarHBondContact O-N 3.05Å; L289-F319 HydrophobicContact CD1-CE1 4.25Å; L289-F319 HydrophobicContact CD2-CD1 3.56Å; L289-F319 HydrophobicContact CD2-CD2 3.97Å; L289-F319 HydrophobicContact CD2-CE1 3.55Å; L289-F319 HydrophobicContact CD2-CE2 3.93Å; L289-F319 HydrophobicContact CD2-CG 3.79Å; L289-F319 HydrophobicContact CD2-CZ 3.74Å; L289-F319 HydrophobicContact CG-CD1 3.93Å; L289-F319 HydrophobicContact CG-CE1 3.78Å; L289-F319 HydrophobicContact CG-CZ 4.33Å
290	I	98.3	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.8	174.6	-43.8	171.9	0	0	0	107.2	C292 S317 C318 D320 R323 Y344 G345 M346 I348	I290-C292 VanDerWaalsContact CG2-SG 3.52Å; I290-S317 WeakPolarHBondContact O-CA 3.33Å; I290-S317 WeakPolarHBondContact O-CB 3.47Å; I290-C318 PolarHBondContact N-O 2.87Å; I290-C318 PolarHBondContact O-N 3.23Å; I290-D320 HydrophobicContact CD1-CB 4.37Å; I290-R323 HydrophobicContact CD1-CG 4.49Å; I290-Y344 HydrophobicContact CD1-CD2 4.24Å; I290-Y344 HydrophobicContact CD1-CE2 4.08Å; I290-G345 VanDerWaalsContact CD1-C 3.49Å; I290-M346 HydrophobicContact CG1-CG 3.94Å; I290-I348 HydrophobicContact CG2-CD1 3.57Å; I290-I348 HydrophobicContact CG2-CG1 3.67Å
291	H	98.3	Very high	98.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	11%	0.11	C	C	.	.			trans	-72.3	-37.1	178.4	-174.5	-84	0	0	0	111.9	L284 D293 L294 I312 D313 F314 S317 D349	L284-H291 HydrophobicContact CD1-CB 4.02Å; H291-D293 PolarHBondContact CE1-O 3.45Å; H291-D293 VanDerWaalsContact ND1-C 3.27Å; H291-D293 PolarHBondContact ND1-N 3.01Å; H291-D293 PolarHBondContact O-N 3.38Å; H291-L294 PolarHBondContact ND1-N 3.36Å; H291-L294 VanDerWaalsContact ND1-N 3.17Å; H291-I312 PolarHBondContact NE2-O 2.93Å; H291-D313 PolarHBondContact NE2-O 2.83Å; H291-F314 AromaticContact CD2-CE1 3.89Å; H291-F314 AromaticContact CD2-CZ 3.95Å; H291-S317 WeakPolarHBondContact CA-OG 3.33Å; H291-S317 PolarHBondContact O-OG 3.05Å; H291-D349 WeakPolarHBondContact CB-OD2 3.28Å; H291-D349 PolarHBondContact N-OD2 3.24Å
292	C	97.7	Very high	98	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	65.2	-7.7	174.9	-61.3	0	0	0	0	116.9	I290 S316 I328 Q329 D349	I290-C292 VanDerWaalsContact CG2-SG 3.52Å; C292-S316 VanDerWaalsContact CB-O 3.27Å; C292-S316 WeakPolarHBondContact CB-O 3.24Å; C292-I328 HydrophobicContact CB-CD1 4.27Å; C292-Q329 WeakPolarHBondContact O-CA 3.38Å; C292-Q329 WeakPolarHBondContact O-CG 3.35Å; C292-Q329 PolarHBondContact O-N 3.02Å; C292-D349 PolarHBondContact N-OD1 2.92Å; C292-D349 VanDerWaalsContact N-OD1 3.13Å
293	D	97.2	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.147	C	C	.	.			trans	-145.2	44.5	173.6	-159.2	27.1	0	0	0	113.5	T2 H291 K295 N298 S330	T2-D293 PolarHBondContact OG1-OD2 3.46Å; H291-D293 PolarHBondContact CE1-O 3.45Å; H291-D293 VanDerWaalsContact ND1-C 3.27Å; H291-D293 PolarHBondContact ND1-N 3.01Å; H291-D293 PolarHBondContact O-N 3.38Å; D293-K295 PolarHBondContact O-N 3.19Å; D293-K295 IonicContact OD1-NZ 3.72Å; D293-K295 IonicContact OD2-NZ 3.59Å; D293-K295 PolarHBondContact OD2-NZ 3.17Å; D293-N298 PolarHBondContact O-ND2 2.79Å; D293-S330 WeakPolarHBondContact OD1-CB 3.45Å; D293-S330 PolarHBondContact OD1-N 3.39Å; D293-S330 PolarHBondContact OD1-OG 2.97Å
294	L	98.6	Very high	97.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	18%	0.178	C	C	.	.			trans	-72.6	123.6	177.1	-166.3	74.3	0	0	0	110.1	L281 H291 V299 V311 S352 L353 I356	L281-L294 HydrophobicContact CD1-CD2 4.21Å; L281-L294 HydrophobicContact CD2-CD2 4.27Å; H291-L294 PolarHBondContact ND1-N 3.36Å; H291-L294 VanDerWaalsContact ND1-N 3.17Å; L294-V299 HydrophobicContact CD1-CG2 4.32Å; L294-V311 HydrophobicContact CD1-CG1 3.83Å; L294-V311 HydrophobicContact CD1-CG2 4.38Å; L294-S352 WeakPolarHBondContact O-CB 3.46Å; L294-L353 HydrophobicContact CD2-CB 4.39Å; L294-I356 HydrophobicContact CB-CD1 4.48Å; L294-I356 HydrophobicContact CD2-CD1 3.98Å; L294-I356 HydrophobicContact CG-CD1 3.71Å
295	K	98.6	Very high	97.2	Very high	17 Å²	17	43.2 Å²	43.2	7%	0.074	22%	0.215	C	C	.	.	S	Bend	trans	-161.2	165	-177.4	63.6	-168.6	-177.2	-152.1	0	110.6	D293 E297 N298 S330 Y333	D293-K295 PolarHBondContact O-N 3.19Å; D293-K295 IonicContact OD1-NZ 3.72Å; D293-K295 IonicContact OD2-NZ 3.59Å; D293-K295 PolarHBondContact OD2-NZ 3.17Å; K295-E297 HydrophobicContact CG-CB 4.26Å; K295-E297 WeakPolarHBondContact CG-OE2 3.28Å; K295-E297 PolarHBondContact O-N 2.95Å; K295-N298 WeakPolarHBondContact CE-ND2 3.47Å; K295-N298 HydrophobicContact CG-CB 4.04Å; K295-N298 PolarHBondContact O-N 2.89Å; K295-S330 VanDerWaalsContact CD-OG 3.27Å; K295-S330 WeakPolarHBondContact CD-OG 3.37Å; K295-S330 PolarHBondContact NZ-OG 3.48Å; K295-Y333 HydrophobicContact CB-CD2 3.52Å; K295-Y333 HydrophobicContact CB-CE2 3.55Å; K295-Y333 HydrophobicContact CB-CG 4.15Å
296	P	98.7	Very high	97.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.2	-31.1	-178	-24.6	35.9	0	0	0	113.9	L253 Y254 N298 V299 Y333 I356	L253-P296 HydrophobicContact CB-CB 4.14Å; L253-P296 PolarHBondContact N-O 3.42Å; Y254-P296 PolarHBondContact N-O 3.18Å; P296-N298 VanDerWaalsContact C-N 3.27Å; P296-N298 PolarHBondContact O-N 3.43Å; P296-V299 PolarHBondContact O-N 3.38Å; P296-Y333 WeakPolarHBondContact CD-OH 3.45Å; P296-Y333 HydrophobicContact CG-CE1 4.06Å; P296-Y333 WeakPolarHBondContact CG-OH 3.35Å; P296-I356 HydrophobicContact CG-CG1 4.24Å; P296-I356 HydrophobicContact CG-CG2 4.43Å
297	E	97.6	Very high	97	Very high	67 Å²	67	44.4 Å²	44.4	31%	0.313	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68	-25.7	176	-59.3	93.8	141.4	0	0	113.3	N252 Y254 K295 L300	N252-E297 VanDerWaalsContact CB-O 3.28Å; N252-E297 WeakPolarHBondContact CB-O 3.42Å; Y254-E297 HydrophobicContact CG-CG 4.37Å; K295-E297 HydrophobicContact CG-CB 4.26Å; K295-E297 WeakPolarHBondContact CG-OE2 3.28Å; K295-E297 PolarHBondContact O-N 2.95Å; E297-L300 WeakPolarHBondContact O-CD1 3.46Å
298	N	98.4	Very high	97	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.053	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-98.3	16	-178.9	-72.9	-5.4	0	0	0	113	D293 K295 P296 I312	D293-N298 PolarHBondContact O-ND2 2.79Å; K295-N298 WeakPolarHBondContact CE-ND2 3.47Å; K295-N298 HydrophobicContact CG-CB 4.04Å; K295-N298 PolarHBondContact O-N 2.89Å; P296-N298 VanDerWaalsContact C-N 3.27Å; P296-N298 PolarHBondContact O-N 3.43Å; N298-I312 HydrophobicContact CB-CG1 4.12Å; N298-I312 WeakPolarHBondContact O-CG1 3.47Å; N298-I312 PolarHBondContact O-N 2.61Å
299	V	98.7	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	113.8	171.4	-175.3	0	0	0	0	108.2	N252 L253 M277 L294 P296 I309 V311	N252-V299 CarbonylContact C-O 3.58Å; N252-V299 VanDerWaalsContact CA-O 3.26Å; N252-V299 WeakPolarHBondContact CA-O 3.29Å; L253-V299 HydrophobicContact CD1-CB 3.79Å; L253-V299 HydrophobicContact CD1-CG1 3.54Å; L253-V299 HydrophobicContact CG-CB 3.94Å; L253-V299 HydrophobicContact CG-CG1 3.87Å; L253-V299 WeakPolarHBondContact CG-O 3.43Å; L253-V299 PolarHBondContact N-O 2.88Å; M277-V299 HydrophobicContact CG-CG1 4.29Å; M277-V299 HydrophobicContact CG-CG2 4.44Å; M277-V299 HydrophobicContact SD-CG1 4.37Å; M277-V299 HydrophobicContact SD-CG2 3.94Å; L294-V299 HydrophobicContact CD1-CG2 4.32Å; P296-V299 PolarHBondContact O-N 3.38Å; V299-I309 HydrophobicContact CG1-CB 3.83Å; V299-I309 HydrophobicContact CG1-CD1 4Å; V299-I309 HydrophobicContact CG1-CG1 3.98Å; V299-I309 HydrophobicContact CG1-CG2 4.13Å; V299-V311 HydrophobicContact CG2-CG2 4.49Å
300	L	98.6	Very high	97.1	Very high	29 Å²	29	38.3 Å²	38.3	15%	0.152	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.6	-175	-84.8	64	0	0	0	111.3	L249 S250 N252 E297 I309 K310 I312	L249-L300 HydrophobicContact CB-CB 3.99Å; L249-L300 HydrophobicContact CB-CD2 3.9Å; L249-L300 HydrophobicContact CD1-CB 3.75Å; L249-L300 HydrophobicContact CD1-CD2 4.28Å; S250-L300 WeakPolarHBondContact O-CD2 3.46Å; N252-L300 HydrophobicContact CB-CD1 3.64Å; N252-L300 HydrophobicContact CB-CG 4.05Å; E297-L300 WeakPolarHBondContact O-CD1 3.46Å; L300-I309 CarbonylContact O-C 3.39Å; L300-I309 WeakPolarHBondContact O-CA 3.48Å; L300-I309 WeakPolarHBondContact O-CB 3.31Å; L300-K310 PolarHBondContact N-O 2.77Å; L300-K310 PolarHBondContact O-N 2.84Å; L300-I312 HydrophobicContact CB-CG2 4.42Å; L300-I312 HydrophobicContact CD1-CD1 3.36Å; L300-I312 HydrophobicContact CD1-CG1 3.68Å; L300-I312 HydrophobicContact CD1-CG2 4Å; L300-I312 HydrophobicContact CD2-CD1 4.26Å; L300-I312 HydrophobicContact CD2-CG2 4.31Å; L300-I312 HydrophobicContact CG-CD1 4.46Å; L300-I312 HydrophobicContact CG-CG2 4.48Å
301	L	98.4	Very high	97.1	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	134.4	166.8	-66.5	-178.7	0	0	0	109.4	S250 I251 L253 L256 F273 Q303 G308 I309	S250-L301 WeakPolarHBondContact CA-O 3.42Å; S250-L301 VanDerWaalsContact CB-O 3.27Å; S250-L301 WeakPolarHBondContact CB-O 3.24Å; S250-L301 PolarHBondContact N-O 3.49Å; I251-L301 HydrophobicContact CD1-CD1 4.46Å; I251-L301 HydrophobicContact CG1-CD1 3.99Å; I251-L301 PolarHBondContact O-N 3.05Å; L253-L301 HydrophobicContact CD2-CD2 4.11Å; L256-L301 HydrophobicContact CD1-CD1 4.18Å; L256-L301 HydrophobicContact CD2-CD1 4.17Å; L256-L301 HydrophobicContact CD2-CD2 4.34Å; F273-L301 HydrophobicContact CE1-CD2 3.85Å; F273-L301 HydrophobicContact CZ-CD2 4.12Å; L301-Q303 VanDerWaalsContact C-N 3.3Å; L301-Q303 PolarHBondContact O-N 3.05Å; L301-G308 CarbonylContact C-O 3.55Å; L301-G308 WeakPolarHBondContact CA-O 3.27Å; L301-I309 HydrophobicContact CD2-CG2 3.82Å
302	K	96.5	Very high	97.1	Very high	71 Å²	71	39.8 Å²	39.8	31%	0.309	21%	0.211	S	C	.	.	S	Bend	trans	-60	-44.1	172.5	-67.3	-176.4	-171.8	-178.1	0	110.7	N228 G308 I309 K310	N228-K302 WeakPolarHBondContact OD1-CE 3.49Å; N228-K302 PolarHBondContact OD1-NZ 2.57Å; K302-G308 PolarHBondContact N-O 2.84Å; K302-I309 WeakPolarHBondContact CE-O 3.31Å; K302-K310 HydrophobicContact CD-CG 4.37Å; K302-K310 HydrophobicContact CG-CG 4.04Å
303	Q	95.3	Very high	96.9	Very high	129 Å²	129	40.9 Å²	40.9	60%	0.603	22%	0.216	S	C	*	.	S	Bend	trans	-145.4	150.9	-176.2	-66.4	177.3	-24.9	0	0	110.6	L301 R306	L301-Q303 VanDerWaalsContact C-N 3.3Å; L301-Q303 PolarHBondContact O-N 3.05Å; Q303-R306 HydrophobicContact CB-CB 4.43Å; Q303-R306 HydrophobicContact CB-CG 4.33Å; Q303-R306 PolarHBondContact O-N 3.49Å
304	Q	92	Very high	96.9	Very high	146 Å²	146	41 Å²	41	68%	0.682	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	136.6	176.7	-174.7	171.5	-4.1	0	0	110.9	R306	Q304-R306 PolarHBondContact O-N 3.05Å
305	G	91.4	Very high	96.5	Very high	77 Å²	77	41.5 Å²	41.5	79%	0.794	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	0.6	179	0	0	0	0	0	115.2
306	R	95.2	Very high	96.2	Very high	181 Å²	181	42 Å²	42	68%	0.683	23%	0.227	S	C	*	.			trans	-112.7	158.3	174	-58.2	-64.7	-174.5	154.2	0	110	Q303 Q304	Q303-R306 HydrophobicContact CB-CB 4.43Å; Q303-R306 HydrophobicContact CB-CG 4.33Å; Q303-R306 PolarHBondContact O-N 3.49Å; Q304-R306 PolarHBondContact O-N 3.05Å
307	S	94.8	Very high	96.1	Very high	37 Å²	37	42.4 Å²	42.4	26%	0.259	23%	0.23	S	C	.	.			trans	-98	-0.6	-178.1	49.6	0	0	0	0	114.3	F273 I309	F273-S307 WeakPolarHBondContact CE1-O 3.43Å; S307-I309 PolarHBondContact O-N 3.21Å
308	G	97.3	Very high	95.9	Very high	26 Å²	26	39.9 Å²	39.9	27%	0.268	22%	0.22	S	C	.	.			trans	-65.8	133.1	173.9	0	0	0	0	0	110.3	L301 K302	L301-G308 CarbonylContact C-O 3.55Å; L301-G308 WeakPolarHBondContact CA-O 3.27Å; K302-G308 PolarHBondContact N-O 2.84Å
309	I	98.4	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	164.4	-179.4	58.1	77.7	0	0	0	112.1	N228 L253 F273 S276 M277 V299 L300 L301 K302 S307	N228-I309 HydrophobicContact CB-CD1 4.09Å; N228-I309 WeakPolarHBondContact CB-O 3.49Å; N228-I309 PolarHBondContact OD1-O 2.92Å; L253-I309 HydrophobicContact CD2-CG2 4.24Å; F273-I309 HydrophobicContact CD1-CG2 3.7Å; F273-I309 HydrophobicContact CE1-CG2 3.67Å; S276-I309 VanDerWaalsContact CB-CG1 3.46Å; M277-I309 HydrophobicContact CG-CD1 4.11Å; V299-I309 HydrophobicContact CG1-CB 3.83Å; V299-I309 HydrophobicContact CG1-CD1 4Å; V299-I309 HydrophobicContact CG1-CG1 3.98Å; V299-I309 HydrophobicContact CG1-CG2 4.13Å; L300-I309 CarbonylContact O-C 3.39Å; L300-I309 WeakPolarHBondContact O-CA 3.48Å; L300-I309 WeakPolarHBondContact O-CB 3.31Å; L301-I309 HydrophobicContact CD2-CG2 3.82Å; K302-I309 WeakPolarHBondContact CE-O 3.31Å; S307-I309 PolarHBondContact O-N 3.21Å
310	K	98.6	Very high	95.3	Very high	7 Å²	7	42 Å²	42	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.5	159.9	-68.1	-171.4	161.1	-151.9	0	110.3	N228 I229 H231 E247 L249 L300 K302	N228-K310 CarbonylContact O-C 3.42Å; N228-K310 WeakPolarHBondContact O-CA 3.44Å; I229-K310 VanDerWaalsContact O-CD 3.32Å; I229-K310 WeakPolarHBondContact O-CD 3.39Å; I229-K310 WeakPolarHBondContact O-CE 3.4Å; I229-K310 PolarHBondContact O-NZ 2.99Å; H231-K310 PolarHBondContact CE1-NZ 3.05Å; H231-K310 PolarHBondContact ND1-NZ 3.37Å; H231-K310 VanDerWaalsContact ND1-NZ 3.12Å; H231-K310 PolarHBondContact NE2-NZ 2.73Å; E247-K310 WeakPolarHBondContact OE1-CD 3.31Å; E247-K310 WeakPolarHBondContact OE1-CE 3.25Å; E247-K310 IonicContact OE1-NZ 3.67Å; E247-K310 PolarHBondContact OE1-NZ 2.88Å; E247-K310 IonicContact OE2-NZ 2.71Å; E247-K310 PolarHBondContact OE2-NZ 3.47Å; L249-K310 HydrophobicContact CD1-CB 3.81Å; L249-K310 HydrophobicContact CD1-CD 4.37Å; L249-K310 HydrophobicContact CD1-CG 4.46Å; L249-K310 HydrophobicContact CD2-CD 4.23Å; L300-K310 PolarHBondContact N-O 2.77Å; L300-K310 PolarHBondContact O-N 2.84Å; K302-K310 HydrophobicContact CD-CG 4.37Å; K302-K310 HydrophobicContact CG-CG 4.04Å
311	V	98.6	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	136.7	170.1	-177.8	0	0	0	0	108.7	N228 I230 C280 L294 V299 F314	N228-V311 PolarHBondContact O-N 2.81Å; I230-V311 PolarHBondContact N-O 3.07Å; C280-V311 HydrophobicContact CB-CB 4.47Å; C280-V311 HydrophobicContact CB-CG2 3.87Å; L294-V311 HydrophobicContact CD1-CG1 3.83Å; L294-V311 HydrophobicContact CD1-CG2 4.38Å; V299-V311 HydrophobicContact CG2-CG2 4.49Å; V311-F314 HydrophobicContact CG1-CE2 4.44Å; V311-F314 HydrophobicContact CG1-CZ 4.46Å
312	I	97.9	Very high	94.5	Very high	33 Å²	33	49.3 Å²	49.3	17%	0.169	27%	0.267	C	S	.	.			trans	-124	174.6	-177.4	70.2	155.7	0	0	0	111.2	I230 L249 H291 N298 L300	I230-I312 HydrophobicContact CB-CG2 4.01Å; I230-I312 HydrophobicContact CD1-CG2 4.2Å; I230-I312 HydrophobicContact CG1-CG2 4.27Å; I230-I312 HydrophobicContact CG2-CB 4.44Å; I230-I312 HydrophobicContact CG2-CG2 4.48Å; L249-I312 HydrophobicContact CD1-CG2 4.11Å; H291-I312 PolarHBondContact NE2-O 2.93Å; N298-I312 HydrophobicContact CB-CG1 4.12Å; N298-I312 WeakPolarHBondContact O-CG1 3.47Å; N298-I312 PolarHBondContact O-N 2.61Å; L300-I312 HydrophobicContact CB-CG2 4.42Å; L300-I312 HydrophobicContact CD1-CD1 3.36Å; L300-I312 HydrophobicContact CD1-CG1 3.68Å; L300-I312 HydrophobicContact CD1-CG2 4Å; L300-I312 HydrophobicContact CD2-CD1 4.26Å; L300-I312 HydrophobicContact CD2-CG2 4.31Å; L300-I312 HydrophobicContact CG-CD1 4.46Å; L300-I312 HydrophobicContact CG-CG2 4.48Å
313	D	94.7	Very high	94	Very high	22 Å²	22	49.5 Å²	49.5	12%	0.118	27%	0.265	C	S	.	.			trans	64.4	72.9	169.3	-165.7	23.2	0	0	0	114.6	K196 H291 G315	K196-D313 IonicContact NZ-OD1 3.29Å; K196-D313 PolarHBondContact NZ-OD1 2.91Å; H291-D313 PolarHBondContact NE2-O 2.83Å; D313-G315 PolarHBondContact O-N 3.36Å
314	F	96	Very high	93.3	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.013	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-87.7	13.2	177.5	-73.6	-104.3	0	0	0	112.6	E211 I214 L215 L218 I229 I230 L284 H291 V311 S316 S317	E211-F314 HydrophobicContact CG-CB 4.06Å; E211-F314 PolarHBondContact OE1-N 3.5Å; I214-F314 HydrophobicContact CG2-CD1 3.91Å; L215-F314 HydrophobicContact CD2-CB 4.34Å; L215-F314 HydrophobicContact CD2-CD2 3.7Å; L215-F314 HydrophobicContact CD2-CE2 4.18Å; L215-F314 HydrophobicContact CD2-CG 4Å; L215-F314 HydrophobicContact CG-CB 4.36Å; L218-F314 HydrophobicContact CD1-CD1 4.17Å; L218-F314 HydrophobicContact CD1-CE1 3.77Å; L218-F314 HydrophobicContact CD1-CZ 4.33Å; I229-F314 HydrophobicContact CG1-CZ 4.36Å; I229-F314 HydrophobicContact CG2-CE2 3.88Å; I229-F314 HydrophobicContact CG2-CZ 3.88Å; I230-F314 HydrophobicContact CG2-CD2 4.35Å; I230-F314 HydrophobicContact CG2-CE2 4.31Å; L284-F314 HydrophobicContact CD1-CE1 4.13Å; L284-F314 HydrophobicContact CD2-CE1 3.8Å; L284-F314 HydrophobicContact CD2-CZ 4.44Å; H291-F314 AromaticContact CD2-CE1 3.89Å; H291-F314 AromaticContact CD2-CZ 3.95Å; V311-F314 HydrophobicContact CG1-CE2 4.44Å; V311-F314 HydrophobicContact CG1-CZ 4.46Å; F314-S316 PolarHBondContact O-N 3.49Å; F314-S317 VanDerWaalsContact CA-OG 3.31Å; F314-S317 WeakPolarHBondContact CA-OG 3.29Å; F314-S317 WeakPolarHBondContact CD1-OG 3.4Å; F314-S317 VanDerWaalsContact O-CB 3.25Å; F314-S317 WeakPolarHBondContact O-CB 3.34Å; F314-S317 PolarHBondContact O-N 3.39Å; F314-S317 PolarHBondContact O-OG 3.04Å
315	G	91.8	Very high	93	Very high	11 Å²	11	46.2 Å²	46.2	11%	0.113	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-68	-17.2	-178	0	0	0	0	0	114.9	D313	D313-G315 PolarHBondContact O-N 3.36Å
316	S	92.3	Very high	92.9	Very high	27 Å²	27	48.5 Å²	48.5	19%	0.189	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-101.7	-3.8	172.3	-63.5	0	0	0	0	113.3	C292 F314	C292-S316 VanDerWaalsContact CB-O 3.27Å; C292-S316 WeakPolarHBondContact CB-O 3.24Å; F314-S316 PolarHBondContact O-N 3.49Å
317	S	95.3	Very high	92.7	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.063	23%	0.227	C	C	.	.			trans	-69.5	152.8	-174.4	-58.9	0	0	0	0	111.6	I290 H291 F314	I290-S317 WeakPolarHBondContact O-CA 3.33Å; I290-S317 WeakPolarHBondContact O-CB 3.47Å; H291-S317 WeakPolarHBondContact CA-OG 3.33Å; H291-S317 PolarHBondContact O-OG 3.05Å; F314-S317 VanDerWaalsContact CA-OG 3.31Å; F314-S317 WeakPolarHBondContact CA-OG 3.29Å; F314-S317 WeakPolarHBondContact CD1-OG 3.4Å; F314-S317 VanDerWaalsContact O-CB 3.25Å; F314-S317 WeakPolarHBondContact O-CB 3.34Å; F314-S317 PolarHBondContact O-N 3.39Å; F314-S317 PolarHBondContact O-OG 3.04Å
318	C	94.1	Very high	92.8	Very high	15 Å²	15	41.3 Å²	41.3	10%	0.101	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	157.7	174.6	61.4	0	0	0	0	110.9	I290	I290-C318 PolarHBondContact N-O 2.87Å; I290-C318 PolarHBondContact O-N 3.23Å
319	F	94.1	Very high	92.8	Very high	30 Å²	30	40.4 Å²	40.4	13%	0.132	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	145.2	165.7	-66.3	-88.3	0	0	0	109.7	R213 I214 R288 L289 D321 Q322	R213-F319 VanDerWaalsContact NH2-CD2 3.29Å; I214-F319 HydrophobicContact CG1-CE2 4.03Å; I214-F319 HydrophobicContact CG1-CZ 4.49Å; R288-F319 WeakPolarHBondContact O-CA 3.44Å; L289-F319 HydrophobicContact CD1-CE1 4.25Å; L289-F319 HydrophobicContact CD2-CD1 3.56Å; L289-F319 HydrophobicContact CD2-CD2 3.97Å; L289-F319 HydrophobicContact CD2-CE1 3.55Å; L289-F319 HydrophobicContact CD2-CE2 3.93Å; L289-F319 HydrophobicContact CD2-CG 3.79Å; L289-F319 HydrophobicContact CD2-CZ 3.74Å; L289-F319 HydrophobicContact CG-CD1 3.93Å; L289-F319 HydrophobicContact CG-CE1 3.78Å; L289-F319 HydrophobicContact CG-CZ 4.33Å; F319-D321 VanDerWaalsContact CB-OD1 3.22Å; F319-D321 WeakPolarHBondContact CB-OD1 3.42Å; F319-D321 PolarHBondContact O-N 2.9Å; F319-D321 VanDerWaalsContact O-N 3.14Å; F319-Q322 HydrophobicContact CB-CB 4.27Å; F319-Q322 HydrophobicContact CB-CG 4.42Å; F319-Q322 CarbonylContact O-C 3.52Å; F319-Q322 PolarHBondContact O-N 3.09Å
320	D	90.4	Very high	92.7	Very high	24 Å²	24	41.4 Å²	41.4	13%	0.128	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.8	-178	173.7	48.4	0	0	0	112.5	R288 I290 R323	R288-D320 HydrophobicContact CB-CB 4.26Å; R288-D320 IonicContact CZ-OD2 2.85Å; R288-D320 IonicContact NE-OD2 3.33Å; R288-D320 IonicContact NH2-OD2 3.88Å; R288-D320 PolarHBondContact NH2-OD2 3.45Å; R288-D320 WeakPolarHBondContact O-CB 3.43Å; R288-D320 PolarHBondContact O-N 3.18Å; I290-D320 HydrophobicContact CD1-CB 4.37Å; D320-R323 PolarHBondContact O-NE 3.37Å; D320-R323 PolarHBondContact O-NH1 3.44Å; D320-R323 PolarHBondContact O-NH2 3.19Å; D320-R323 IonicContact OD1-CZ 3.69Å; D320-R323 IonicContact OD1-NH1 2.73Å; D320-R323 PolarHBondContact OD1-NH1 3.16Å
321	D	90	Very high	92.7	Very high	101 Å²	101	43.6 Å²	43.6	54%	0.54	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.4	175.4	63.1	-26	0	0	0	114.3	F319	F319-D321 VanDerWaalsContact CB-OD1 3.22Å; F319-D321 WeakPolarHBondContact CB-OD1 3.42Å; F319-D321 PolarHBondContact O-N 2.9Å; F319-D321 VanDerWaalsContact O-N 3.14Å
322	Q	89.8	Confident	92.7	Very high	87 Å²	87	46.6 Å²	46.6	41%	0.407	23%	0.234	S	C	.	.			trans	-117.4	39.5	-172.5	-63.4	172.8	19.6	0	0	112.6	F319 I324	F319-Q322 HydrophobicContact CB-CB 4.27Å; F319-Q322 HydrophobicContact CB-CG 4.42Å; F319-Q322 CarbonylContact O-C 3.52Å; F319-Q322 PolarHBondContact O-N 3.09Å; Q322-I324 PolarHBondContact O-N 3.06Å
323	R	86	Confident	92.8	Very high	74 Å²	74	45.4 Å²	45.4	28%	0.279	23%	0.228	S	C	.	.			trans	-70.2	121.7	178	-67	172.7	-67.6	-99.8	-29.7	111.8	I290 D320 Y344	I290-R323 HydrophobicContact CD1-CG 4.49Å; D320-R323 PolarHBondContact O-NE 3.37Å; D320-R323 PolarHBondContact O-NH1 3.44Å; D320-R323 PolarHBondContact O-NH2 3.19Å; D320-R323 IonicContact OD1-CZ 3.69Å; D320-R323 IonicContact OD1-NH1 2.73Å; D320-R323 PolarHBondContact OD1-NH1 3.16Å; R323-Y344 WeakPolarHBondContact CB-OH 3.07Å; R323-Y344 VanDerWaalsContact CD-O 3.26Å; R323-Y344 WeakPolarHBondContact CD-O 3.43Å; R323-Y344 HydrophobicContact CG-CE1 4.49Å; R323-Y344 HydrophobicContact CG-CE2 3.77Å; R323-Y344 PolarHBondContact NH1-O 2.89Å
324	I	80.6	Confident	93	Very high	132 Å²	132	44.6 Å²	44.6	68%	0.677	22%	0.223	S	C	*	.			trans	-105.4	-37.6	-178.8	-56.9	177.4	0	0	0	112.5	Q322	Q322-I324 PolarHBondContact O-N 3.06Å
325	Y	85.9	Confident	93.1	Very high	75 Å²	75	44.5 Å²	44.5	29%	0.294	22%	0.222	S	C	.	.			trans	-110.1	138.9	-167	-57.1	-70.3	0	0	0	112.2	Q207 Y344	Q207-Y325 PolarHBondContact NE2-OH 3.12Å; Y325-Y344 VanDerWaalsContact O-CE1 3.29Å; Y325-Y344 WeakPolarHBondContact O-CE1 3.18Å; Y325-Y344 PolarHBondContact O-OH 3.34Å
326	T	89	Confident	93.4	Very high	124 Å²	124	44 Å²	44	76%	0.761	22%	0.217	S	C	*	.	S	Bend	trans	-92.3	-25.1	176.3	52.1	0	0	0	0	113.1
327	Y	92	Very high	93.7	Very high	55 Å²	55	42.9 Å²	42.9	22%	0.216	21%	0.209	C	C	.	.	S	Bend	trans	-106.6	94.9	176.9	-170.6	-91.3	0	0	0	110.4	M1 R334	M1-Y327 HydrophobicContact CE-CD1 3.72Å; M1-Y327 HydrophobicContact CE-CE1 4.25Å; M1-Y327 HydrophobicContact CE-CG 4.18Å; M1-Y327 HydrophobicContact CG-CD1 3.94Å; M1-Y327 HydrophobicContact CG-CE1 4.47Å; M1-Y327 HydrophobicContact SD-CD1 4.45Å; Y327-R334 PolarHBondContact OH-NH1 2.67Å; Y327-R334 PolarHBondContact OH-NH2 3.22Å
328	I	95.2	Very high	93.8	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.062	21%	0.208	C	C	.	.			trans	-129.6	175.6	-175.5	59.1	166.6	0	0	0	111.3	C292 R334 V338 Y344 I348	C292-I328 HydrophobicContact CB-CD1 4.27Å; I328-R334 PolarHBondContact O-NE 3.44Å; I328-R334 PolarHBondContact O-NH2 3.3Å; I328-V338 HydrophobicContact CD1-CG2 4.22Å; I328-V338 HydrophobicContact CG1-CG1 3.76Å; I328-V338 HydrophobicContact CG1-CG2 4.05Å; I328-Y344 HydrophobicContact CD1-CD1 4.28Å; I328-Y344 HydrophobicContact CD1-CD2 3.71Å; I328-Y344 HydrophobicContact CD1-CE1 3.97Å; I328-Y344 HydrophobicContact CD1-CE2 3.36Å; I328-Y344 HydrophobicContact CD1-CG 4.16Å; I328-Y344 VanDerWaalsContact CD1-CZ 3.5Å; I328-I348 HydrophobicContact CD1-CD1 3.44Å; I328-I348 VanDerWaalsContact CD1-CD1 3.44Å
329	Q	97.8	Very high	94	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.033	20%	0.204	C	C	.	.	S	Bend	trans	62.5	150.5	-173.5	-57.3	174.5	-72.5	0	0	114.2	C292 Y333 R334 I348 S352	C292-Q329 WeakPolarHBondContact O-CA 3.38Å; C292-Q329 WeakPolarHBondContact O-CG 3.35Å; C292-Q329 PolarHBondContact O-N 3.02Å; Q329-Y333 PolarHBondContact NE2-O 3.21Å; Q329-R334 HydrophobicContact CB-CB 4Å; Q329-R334 HydrophobicContact CB-CG 4.17Å; Q329-R334 PolarHBondContact O-NE 2.91Å; Q329-R334 PolarHBondContact O-NH2 3.38Å; Q329-I348 HydrophobicContact CG-CD1 4.14Å; Q329-I348 PolarHBondContact NE2-O 3.45Å; Q329-S352 PolarHBondContact NE2-OG 2.89Å
330	S	97.3	Very high	94.2	Very high	21 Å²	21	40.9 Å²	40.9	15%	0.147	20%	0.198	C	C	.	.			trans	-71.7	137.1	165.9	-66.2	0	0	0	0	110	D293 K295 F332 Y333 R334	D293-S330 WeakPolarHBondContact OD1-CB 3.45Å; D293-S330 PolarHBondContact OD1-N 3.39Å; D293-S330 PolarHBondContact OD1-OG 2.97Å; K295-S330 VanDerWaalsContact CD-OG 3.27Å; K295-S330 WeakPolarHBondContact CD-OG 3.37Å; K295-S330 PolarHBondContact NZ-OG 3.48Å; S330-F332 PolarHBondContact O-N 3.47Å; S330-F332 VanDerWaalsContact O-N 3.17Å; S330-Y333 CarbonylContact O-C 3.42Å; S330-Y333 PolarHBondContact O-N 3.48Å; S330-R334 PolarHBondContact O-N 2.86Å
331	R	98.3	Very high	94.4	Very high	54 Å²	54	40.7 Å²	40.7	20%	0.204	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-50.9	-46.6	-162.4	-173.8	-172.7	-64.2	105.6	-4.9	114.7	Y333 R334 G369 E370 Q375	R331-Y333 PolarHBondContact O-N 3.02Å; R331-R334 WeakPolarHBondContact O-CB 3.26Å; R331-R334 PolarHBondContact O-N 3.45Å; R331-G369 WeakPolarHBondContact CD-O 3.48Å; R331-E370 PolarHBondContact NE-O 3Å; R331-Q375 HydrophobicContact CG-CB 4.18Å; R331-Q375 HydrophobicContact CG-CG 4.19Å; R331-Q375 PolarHBondContact O-NE2 3.38Å; R331-Q375 PolarHBondContact O-OE1 2.68Å
332	F	98.7	Very high	94.6	Very high	62 Å²	62	37 Å²	37	27%	0.272	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-65.9	-20.7	-176.3	-56.4	-20.3	0	0	0	113.5	S330 P365 P368 G369	S330-F332 PolarHBondContact O-N 3.47Å; S330-F332 VanDerWaalsContact O-N 3.17Å; F332-P365 HydrophobicContact CB-CB 4.49Å; F332-P365 HydrophobicContact CD2-CB 3.96Å; F332-P365 HydrophobicContact CD2-CG 3.94Å; F332-P365 HydrophobicContact CE2-CG 4.16Å; F332-P365 HydrophobicContact CG-CB 4.38Å; F332-P368 HydrophobicContact CE1-CB 4.4Å; F332-G369 VanDerWaalsContact CE1-O 3.29Å; F332-G369 WeakPolarHBondContact CE1-O 3.4Å
333	Y	98.8	Very high	94.8	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.035	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-111.7	8.6	-177	-44.1	-77.8	0	0	0	111.8	K295 P296 Q329 S330 R331 S352 C355 I356 E359	K295-Y333 HydrophobicContact CB-CD2 3.52Å; K295-Y333 HydrophobicContact CB-CE2 3.55Å; K295-Y333 HydrophobicContact CB-CG 4.15Å; P296-Y333 WeakPolarHBondContact CD-OH 3.45Å; P296-Y333 HydrophobicContact CG-CE1 4.06Å; P296-Y333 WeakPolarHBondContact CG-OH 3.35Å; Q329-Y333 PolarHBondContact NE2-O 3.21Å; S330-Y333 CarbonylContact O-C 3.42Å; S330-Y333 PolarHBondContact O-N 3.48Å; R331-Y333 PolarHBondContact O-N 3.02Å; Y333-S352 PolarHBondContact O-OG 3.23Å; Y333-C355 HydrophobicContact CD1-CB 3.75Å; Y333-C355 HydrophobicContact CE1-CB 4.46Å; Y333-I356 HydrophobicContact CD1-CG1 3.81Å; Y333-I356 HydrophobicContact CE1-CG1 3.95Å; Y333-E359 VanDerWaalsContact CE1-OE2 3.25Å; Y333-E359 WeakPolarHBondContact CE1-OE2 3.45Å; Y333-E359 VanDerWaalsContact CZ-OE2 3.3Å; Y333-E359 PolarHBondContact OH-OE2 2.83Å
334	R	98.8	Very high	95.3	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.019	19%	0.187	C	C	.	.			trans	-80.6	131.5	-175	-176.5	178	-65.2	143.9	-0.3	111.2	Y327 I328 Q329 S330 R331 V338 I339 W351	Y327-R334 PolarHBondContact OH-NH1 2.67Å; Y327-R334 PolarHBondContact OH-NH2 3.22Å; I328-R334 PolarHBondContact O-NE 3.44Å; I328-R334 PolarHBondContact O-NH2 3.3Å; Q329-R334 HydrophobicContact CB-CB 4Å; Q329-R334 HydrophobicContact CB-CG 4.17Å; Q329-R334 PolarHBondContact O-NE 2.91Å; Q329-R334 PolarHBondContact O-NH2 3.38Å; S330-R334 PolarHBondContact O-N 2.86Å; R331-R334 WeakPolarHBondContact O-CB 3.26Å; R331-R334 PolarHBondContact O-N 3.45Å; R334-V338 HydrophobicContact CG-CB 3.93Å; R334-V338 HydrophobicContact CG-CG1 3.95Å; R334-I339 HydrophobicContact CG-CD1 4.49Å; R334-I339 HydrophobicContact CG-CG1 4.04Å; R334-W351 PolarHBondContact O-NE1 2.87Å
335	A	98.8	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.			trans	-73.5	150.4	-179.8	0	0	0	0	0	112.3	E337 V338 I339 I348 W351	A335-E337 VanDerWaalsContact C-N 3.32Å; A335-E337 HydrophobicContact CB-CG 4.14Å; A335-E337 WeakPolarHBondContact CB-OE2 3.11Å; A335-E337 PolarHBondContact O-N 2.88Å; A335-V338 WeakPolarHBondContact O-CB 3.35Å; A335-V338 PolarHBondContact O-N 3.35Å; A335-I339 PolarHBondContact O-N 3.09Å; A335-I348 HydrophobicContact CB-CB 3.85Å; A335-I348 HydrophobicContact CB-CG2 3.82Å; A335-W351 HydrophobicContact CB-CB 3.84Å; A335-W351 HydrophobicContact CB-CD2 4.29Å; A335-W351 HydrophobicContact CB-CG 3.77Å
336	P	98.4	Very high	96.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-35.3	-176.6	23.4	-33	0	0	0	113	V338 I339 L340 W351 I379 W463	P336-V338 PolarHBondContact O-N 3.28Å; P336-I339 PolarHBondContact O-N 3Å; P336-I339 VanDerWaalsContact O-N 3.09Å; P336-L340 HydrophobicContact CB-CD1 4.49Å; P336-L340 WeakPolarHBondContact O-CB 3.29Å; P336-L340 WeakPolarHBondContact O-CG 3.34Å; P336-L340 PolarHBondContact O-N 2.98Å; P336-W351 VanDerWaalsContact CD-CE3 3.45Å; P336-W351 VanDerWaalsContact CD-CZ3 3.49Å; P336-W351 HydrophobicContact CG-CE3 4.11Å; P336-W351 HydrophobicContact CG-CH2 3.96Å; P336-W351 HydrophobicContact CG-CZ3 3.74Å; P336-I379 HydrophobicContact CB-CD1 4.43Å; P336-W463 HydrophobicContact CB-CE3 3.61Å; P336-W463 HydrophobicContact CB-CH2 4.48Å; P336-W463 HydrophobicContact CB-CZ3 3.4Å; P336-W463 VanDerWaalsContact CB-CZ3 3.4Å; P336-W463 HydrophobicContact CG-CE3 3.8Å; P336-W463 HydrophobicContact CG-CZ3 4.1Å
337	E	98	Very high	97.1	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	13%	0.131	C	C	.	.	H	α-helix	trans	-57.1	-35.5	175.6	53.7	-94.7	-139.9	0	0	113.1	A335 G341 T342 I348 R468	A335-E337 VanDerWaalsContact C-N 3.32Å; A335-E337 HydrophobicContact CB-CG 4.14Å; A335-E337 WeakPolarHBondContact CB-OE2 3.11Å; A335-E337 PolarHBondContact O-N 2.88Å; E337-G341 PolarHBondContact O-N 3.37Å; E337-T342 WeakPolarHBondContact CA-OG1 3.24Å; E337-T342 WeakPolarHBondContact CB-OG1 3.49Å; E337-T342 PolarHBondContact O-N 3.43Å; E337-T342 PolarHBondContact O-OG1 3.44Å; E337-I348 HydrophobicContact CG-CG2 3.89Å; E337-I348 WeakPolarHBondContact OE1-CG2 3.26Å; E337-R468 IonicContact OE1-CZ 3.55Å; E337-R468 IonicContact OE1-NH1 3.51Å; E337-R468 PolarHBondContact OE1-NH1 2.98Å; E337-R468 IonicContact OE1-NH2 3.81Å; E337-R468 PolarHBondContact OE1-NH2 2.99Å; E337-R468 IonicContact OE2-CZ 3.38Å; E337-R468 IonicContact OE2-NH1 3.46Å; E337-R468 PolarHBondContact OE2-NH1 3.35Å; E337-R468 IonicContact OE2-NH2 2.65Å; E337-R468 PolarHBondContact OE2-NH2 3.01Å
338	V	98.1	Very high	97.4	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-70.3	-40.6	177.5	179.4	0	0	0	0	110.2	I328 R334 A335 P336 Y344 I348	I328-V338 HydrophobicContact CD1-CG2 4.22Å; I328-V338 HydrophobicContact CG1-CG1 3.76Å; I328-V338 HydrophobicContact CG1-CG2 4.05Å; R334-V338 HydrophobicContact CG-CB 3.93Å; R334-V338 HydrophobicContact CG-CG1 3.95Å; A335-V338 WeakPolarHBondContact O-CB 3.35Å; A335-V338 PolarHBondContact O-N 3.35Å; P336-V338 PolarHBondContact O-N 3.28Å; V338-Y344 HydrophobicContact CG2-CG 4.34Å; V338-I348 HydrophobicContact CG2-CG2 3.99Å
339	I	98.3	Very high	97.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-68.2	-48.2	178.6	-59.8	171.6	0	0	0	110.4	R334 A335 P336 G341 E372 Q375 L376 I379 R396 F400	R334-I339 HydrophobicContact CG-CD1 4.49Å; R334-I339 HydrophobicContact CG-CG1 4.04Å; A335-I339 PolarHBondContact O-N 3.09Å; P336-I339 PolarHBondContact O-N 3Å; P336-I339 VanDerWaalsContact O-N 3.09Å; I339-G341 PolarHBondContact O-N 3.33Å; I339-E372 HydrophobicContact CG2-CB 4.38Å; I339-Q375 HydrophobicContact CD1-CB 4.14Å; I339-Q375 HydrophobicContact CD1-CG 3.71Å; I339-L376 HydrophobicContact CG2-CB 4.27Å; I339-L376 HydrophobicContact CG2-CD2 4.46Å; I339-I379 HydrophobicContact CD1-CD1 4.16Å; I339-R396 PolarHBondContact O-NH1 2.83Å; I339-F400 HydrophobicContact CG2-CE1 4.07Å; I339-F400 HydrophobicContact CG2-CE2 3.88Å; I339-F400 HydrophobicContact CG2-CZ 3.56Å
340	L	97.4	Very high	97.7	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-72.1	-13.8	-178.8	-68.6	173.7	0	0	0	113.4	P336 L376 L391 A394 K395 R396 F400 W463	P336-L340 HydrophobicContact CB-CD1 4.49Å; P336-L340 WeakPolarHBondContact O-CB 3.29Å; P336-L340 WeakPolarHBondContact O-CG 3.34Å; P336-L340 PolarHBondContact O-N 2.98Å; L340-L376 HydrophobicContact CD2-CD2 3.87Å; L340-L391 HydrophobicContact CD1-CD2 4.5Å; L340-L391 HydrophobicContact CD2-CD2 4.43Å; L340-A394 HydrophobicContact CB-CB 3.96Å; L340-A394 CarbonylContact O-C 3.5Å; L340-K395 PolarHBondContact O-N 3.4Å; L340-R396 WeakPolarHBondContact O-CA 3.35Å; L340-R396 WeakPolarHBondContact O-CB 3.47Å; L340-R396 PolarHBondContact O-N 3.1Å; L340-F400 HydrophobicContact CD2-CD2 4.01Å; L340-W463 HydrophobicContact CD1-CZ3 4.34Å
341	G	95.9	Very high	97.7	Very high	19 Å²	19	22.3 Å²	22.3	20%	0.196	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	32.9	178	0	0	0	0	0	113.4	E337 I339	E337-G341 PolarHBondContact O-N 3.37Å; I339-G341 PolarHBondContact O-N 3.33Å
342	T	94.1	Very high	97.8	Very high	24 Å²	24	19.7 Å²	19.7	15%	0.147	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-82.8	173.8	167.4	60.5	0	0	0	0	109.9	E337 Y344 A394	E337-T342 WeakPolarHBondContact CA-OG1 3.24Å; E337-T342 WeakPolarHBondContact CB-OG1 3.49Å; E337-T342 PolarHBondContact O-N 3.43Å; E337-T342 PolarHBondContact O-OG1 3.44Å; T342-Y344 PolarHBondContact O-N 3.15Å; T342-A394 VanDerWaalsContact CG2-CA 3.43Å; T342-A394 HydrophobicContact CG2-CB 3.59Å
343	K	93.3	Very high	97.8	Very high	160 Å²	160	16.8 Å²	16.8	70%	0.696	9%	0.089	S	C	*	.	P	Polyproline II helix	trans	-67.9	119.5	173.7	-175.3	-178.2	178.5	-174.2	0	108.9
344	Y	96.1	Very high	97.8	Very high	18 Å²	18	16.3 Å²	16.3	7%	0.071	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-96.4	162.1	175.8	74.1	-96.7	0	0	0	111.7	I290 R323 Y325 I328 V338 T342 I348	I290-Y344 HydrophobicContact CD1-CD2 4.24Å; I290-Y344 HydrophobicContact CD1-CE2 4.08Å; R323-Y344 WeakPolarHBondContact CB-OH 3.07Å; R323-Y344 VanDerWaalsContact CD-O 3.26Å; R323-Y344 WeakPolarHBondContact CD-O 3.43Å; R323-Y344 HydrophobicContact CG-CE1 4.49Å; R323-Y344 HydrophobicContact CG-CE2 3.77Å; R323-Y344 PolarHBondContact NH1-O 2.89Å; Y325-Y344 VanDerWaalsContact O-CE1 3.29Å; Y325-Y344 WeakPolarHBondContact O-CE1 3.18Å; Y325-Y344 PolarHBondContact O-OH 3.34Å; I328-Y344 HydrophobicContact CD1-CD1 4.28Å; I328-Y344 HydrophobicContact CD1-CD2 3.71Å; I328-Y344 HydrophobicContact CD1-CE1 3.97Å; I328-Y344 HydrophobicContact CD1-CE2 3.36Å; I328-Y344 HydrophobicContact CD1-CG 4.16Å; I328-Y344 VanDerWaalsContact CD1-CZ 3.5Å; V338-Y344 HydrophobicContact CG2-CG 4.34Å; T342-Y344 PolarHBondContact O-N 3.15Å; Y344-I348 HydrophobicContact CD2-CD1 3.93Å; Y344-I348 HydrophobicContact CD2-CG2 4.45Å; Y344-I348 HydrophobicContact CE2-CD1 4.38Å
345	G	97.4	Very high	97.8	Very high	11 Å²	11	16.2 Å²	16.2	11%	0.113	9%	0.087	C	C	.	.			trans	-155.1	-160.1	179	0	0	0	0	0	112	I290 P347 I348	I290-G345 VanDerWaalsContact CD1-C 3.49Å; G345-P347 VanDerWaalsContact C-N 3.26Å; G345-I348 WeakPolarHBondContact O-CG1 3.33Å; G345-I348 WeakPolarHBondContact O-CG2 3.04Å; G345-I348 PolarHBondContact O-N 3.02Å
346	M	98.2	Very high	97.8	Very high	44 Å²	44	16.2 Å²	16.2	22%	0.217	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-32	175.8	-59.6	172.1	-71.8	0	0	115.1	Q285 I290 I348 D349	Q285-M346 HydrophobicContact CB-SD 4.24Å; Q285-M346 HydrophobicContact CG-CE 4.32Å; Q285-M346 HydrophobicContact CG-SD 3.89Å; I290-M346 HydrophobicContact CG1-CG 3.94Å; M346-I348 PolarHBondContact O-N 2.83Å; M346-D349 PolarHBondContact O-N 3.44Å; M346-D349 VanDerWaalsContact O-N 3.12Å
347	P	98.7	Very high	97.8	Very high	36 Å²	36	16.1 Å²	16.1	23%	0.234	9%	0.087	C	C	.	.	H	α-helix	trans	-58.8	-17	178.3	-28.6	37.5	0	0	0	115.5	G345 D349 M350 W351 P465 R468	G345-P347 VanDerWaalsContact C-N 3.26Å; P347-D349 PolarHBondContact O-N 2.99Å; P347-M350 PolarHBondContact O-N 3.03Å; P347-W351 PolarHBondContact O-N 2.99Å; P347-P465 HydrophobicContact CB-CB 3.8Å; P347-P465 HydrophobicContact CG-CB 4.11Å; P347-P465 VanDerWaalsContact CG-O 3.29Å; P347-P465 WeakPolarHBondContact CG-O 3.49Å; P347-R468 WeakPolarHBondContact O-CD 3.43Å; P347-R468 PolarHBondContact O-NH1 3.19Å
348	I	98.8	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.9	-30.8	176.5	74.5	-180	0	0	0	112.2	I290 I328 Q329 A335 E337 V338 Y344 G345 M346 M350 W351 S352	I290-I348 HydrophobicContact CG2-CD1 3.57Å; I290-I348 HydrophobicContact CG2-CG1 3.67Å; I328-I348 HydrophobicContact CD1-CD1 3.44Å; I328-I348 VanDerWaalsContact CD1-CD1 3.44Å; Q329-I348 HydrophobicContact CG-CD1 4.14Å; Q329-I348 PolarHBondContact NE2-O 3.45Å; A335-I348 HydrophobicContact CB-CB 3.85Å; A335-I348 HydrophobicContact CB-CG2 3.82Å; E337-I348 HydrophobicContact CG-CG2 3.89Å; E337-I348 WeakPolarHBondContact OE1-CG2 3.26Å; V338-I348 HydrophobicContact CG2-CG2 3.99Å; Y344-I348 HydrophobicContact CD2-CD1 3.93Å; Y344-I348 HydrophobicContact CD2-CG2 4.45Å; Y344-I348 HydrophobicContact CE2-CD1 4.38Å; G345-I348 WeakPolarHBondContact O-CG1 3.33Å; G345-I348 WeakPolarHBondContact O-CG2 3.04Å; G345-I348 PolarHBondContact O-N 3.02Å; M346-I348 PolarHBondContact O-N 2.83Å; I348-M350 VanDerWaalsContact C-N 3.34Å; I348-W351 WeakPolarHBondContact O-CB 3.31Å; I348-W351 PolarHBondContact O-N 3.18Å; I348-S352 PolarHBondContact O-N 3.13Å; I348-S352 VanDerWaalsContact O-N 3.09Å; I348-S352 PolarHBondContact O-OG 3.39Å
349	D	98.9	Very high	97.9	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.027	8%	0.084	C	C	.	.	H	α-helix	trans	-75.2	-29.8	-179.8	-65.2	-33.2	0	0	0	111	L281 H291 C292 M346 P347 W351 S352 L353	L281-D349 HydrophobicContact CD2-CB 3.9Å; H291-D349 WeakPolarHBondContact CB-OD2 3.28Å; H291-D349 PolarHBondContact N-OD2 3.24Å; C292-D349 PolarHBondContact N-OD1 2.92Å; C292-D349 VanDerWaalsContact N-OD1 3.13Å; M346-D349 PolarHBondContact O-N 3.44Å; M346-D349 VanDerWaalsContact O-N 3.12Å; P347-D349 PolarHBondContact O-N 2.99Å; D349-W351 VanDerWaalsContact C-N 3.34Å; D349-S352 PolarHBondContact O-N 2.72Å; D349-L353 WeakPolarHBondContact O-CB 3.18Å; D349-L353 PolarHBondContact O-N 3.45Å
350	M	98.9	Very high	97.9	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.02	8%	0.084	C	C	.	.	H	α-helix	trans	-69.1	-33	171.9	-74.2	-59.7	-66.9	0	0	112.3	L278 L281 P347 I348 L353 G354 M469 P471 A474	L278-M350 HydrophobicContact CD2-CE 4.05Å; L278-M350 HydrophobicContact CD2-SD 3.95Å; L281-M350 HydrophobicContact CD1-SD 3.91Å; P347-M350 PolarHBondContact O-N 3.03Å; I348-M350 VanDerWaalsContact C-N 3.34Å; M350-L353 HydrophobicContact CE-CD2 3.98Å; M350-L353 HydrophobicContact SD-CD2 3.9Å; M350-G354 PolarHBondContact O-N 3.19Å; M350-G354 VanDerWaalsContact O-N 3.12Å; M350-M469 HydrophobicContact CE-CE 4.31Å; M350-M469 WeakPolarHBondContact CE-O 3.43Å; M350-M469 VanDerWaalsContact CG-O 3.31Å; M350-M469 WeakPolarHBondContact CG-O 3.46Å; M350-P471 HydrophobicContact CG-CG 4.2Å; M350-P471 HydrophobicContact SD-CB 4.33Å; M350-P471 HydrophobicContact SD-CG 3.75Å; M350-A474 HydrophobicContact CE-CB 3.76Å
351	W	98.9	Very high	98	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.6	-48.8	169.4	177.9	-80.6	0	0	0	111.5	R334 A335 P336 P347 I348 D349 L353 G354 C355 L367 I379 L383 L461	R334-W351 PolarHBondContact O-NE1 2.87Å; A335-W351 HydrophobicContact CB-CB 3.84Å; A335-W351 HydrophobicContact CB-CD2 4.29Å; A335-W351 HydrophobicContact CB-CG 3.77Å; P336-W351 VanDerWaalsContact CD-CE3 3.45Å; P336-W351 VanDerWaalsContact CD-CZ3 3.49Å; P336-W351 HydrophobicContact CG-CE3 4.11Å; P336-W351 HydrophobicContact CG-CH2 3.96Å; P336-W351 HydrophobicContact CG-CZ3 3.74Å; P347-W351 PolarHBondContact O-N 2.99Å; I348-W351 WeakPolarHBondContact O-CB 3.31Å; I348-W351 PolarHBondContact O-N 3.18Å; D349-W351 VanDerWaalsContact C-N 3.34Å; W351-L353 VanDerWaalsContact C-N 3.3Å; W351-L353 PolarHBondContact O-N 2.83Å; W351-G354 PolarHBondContact O-N 3.26Å; W351-C355 PolarHBondContact O-N 2.91Å; W351-C355 VanDerWaalsContact O-N 3.13Å; W351-C355 PolarHBondContact O-SG 3.08Å; W351-L367 HydrophobicContact CZ2-CD1 3.93Å; W351-I379 HydrophobicContact CH2-CD1 4.17Å; W351-I379 HydrophobicContact CH2-CG1 4.25Å; W351-I379 HydrophobicContact CH2-CG2 3.74Å; W351-I379 HydrophobicContact CZ2-CD1 3.65Å; W351-I379 HydrophobicContact CZ2-CG1 3.84Å; W351-I379 HydrophobicContact CZ2-CG2 4.2Å; W351-L383 HydrophobicContact CH2-CD1 3.7Å; W351-L383 HydrophobicContact CZ3-CD1 4.09Å; W351-L461 HydrophobicContact CD2-CD2 3.57Å; W351-L461 HydrophobicContact CE3-CB 4.29Å; W351-L461 HydrophobicContact CE3-CD2 3.76Å; W351-L461 HydrophobicContact CG-CD2 4.05Å; W351-L461 HydrophobicContact CH2-CB 4.41Å; W351-L461 HydrophobicContact CH2-CD2 4.18Å; W351-L461 HydrophobicContact CZ2-CD2 4.02Å; W351-L461 HydrophobicContact CZ3-CB 4.02Å; W351-L461 HydrophobicContact CZ3-CD2 4.07Å; W351-L461 WeakPolarHBondContact CZ3-O 3.37Å
352	S	98.9	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.2	-42.8	176.3	-60.5	0	0	0	0	111.8	L294 Q329 Y333 I348 D349 G354 C355 I356	L294-S352 WeakPolarHBondContact O-CB 3.46Å; Q329-S352 PolarHBondContact NE2-OG 2.89Å; Y333-S352 PolarHBondContact O-OG 3.23Å; I348-S352 PolarHBondContact O-N 3.13Å; I348-S352 VanDerWaalsContact O-N 3.09Å; I348-S352 PolarHBondContact O-OG 3.39Å; D349-S352 PolarHBondContact O-N 2.72Å; S352-G354 PolarHBondContact O-N 2.96Å; S352-C355 PolarHBondContact O-N 3.02Å; S352-I356 WeakPolarHBondContact O-CD1 3.15Å; S352-I356 VanDerWaalsContact O-CG1 3.24Å; S352-I356 WeakPolarHBondContact O-CG1 3.25Å; S352-I356 PolarHBondContact O-N 3.45Å
353	L	98.9	Very high	98.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55.2	-50.2	174.6	177.4	68.6	0	0	0	111.3	M277 L278 L281 L294 D349 M350 W351 C355 I356 L357	M277-L353 HydrophobicContact CB-CD1 3.94Å; M277-L353 HydrophobicContact CE-CD1 3.56Å; M277-L353 HydrophobicContact SD-CD1 3.91Å; L278-L353 HydrophobicContact CD2-CD2 3.62Å; L278-L353 HydrophobicContact CG-CD2 3.92Å; L281-L353 HydrophobicContact CD1-CB 4.22Å; L281-L353 HydrophobicContact CD1-CD2 4.11Å; L294-L353 HydrophobicContact CD2-CB 4.39Å; D349-L353 WeakPolarHBondContact O-CB 3.18Å; D349-L353 PolarHBondContact O-N 3.45Å; M350-L353 HydrophobicContact CE-CD2 3.98Å; M350-L353 HydrophobicContact SD-CD2 3.9Å; W351-L353 VanDerWaalsContact C-N 3.3Å; W351-L353 PolarHBondContact O-N 2.83Å; L353-C355 VanDerWaalsContact C-N 3.3Å; L353-C355 PolarHBondContact O-N 3.19Å; L353-I356 PolarHBondContact O-N 3.4Å; L353-L357 HydrophobicContact CD1-CD1 4.18Å; L353-L357 HydrophobicContact CD1-CD2 4.27Å; L353-L357 HydrophobicContact CD1-CG 4.05Å; L353-L357 HydrophobicContact CG-CD1 4.07Å; L353-L357 HydrophobicContact CG-CG 4.28Å; L353-L357 VanDerWaalsContact O-CG 3.29Å; L353-L357 WeakPolarHBondContact O-CG 3.48Å; L353-L357 PolarHBondContact O-N 2.93Å
354	G	98.9	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-55.8	-45	178.1	0	0	0	0	0	112.6	M350 W351 S352 L357 A358 L457	M350-G354 PolarHBondContact O-N 3.19Å; M350-G354 VanDerWaalsContact O-N 3.12Å; W351-G354 PolarHBondContact O-N 3.26Å; S352-G354 PolarHBondContact O-N 2.96Å; G354-L357 PolarHBondContact O-N 3.12Å; G354-A358 PolarHBondContact O-N 2.9Å; G354-L457 VanDerWaalsContact O-CD2 3.28Å; G354-L457 WeakPolarHBondContact O-CD2 3.26Å
355	C	98.9	Very high	98.7	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.014	7%	0.065	C	C	.	.	H	α-helix	trans	-62.6	-44.5	176.5	-65	0	0	0	0	112.4	Y333 W351 S352 L353 A358 E359	Y333-C355 HydrophobicContact CD1-CB 3.75Å; Y333-C355 HydrophobicContact CE1-CB 4.46Å; W351-C355 PolarHBondContact O-N 2.91Å; W351-C355 VanDerWaalsContact O-N 3.13Å; W351-C355 PolarHBondContact O-SG 3.08Å; S352-C355 PolarHBondContact O-N 3.02Å; L353-C355 VanDerWaalsContact C-N 3.3Å; L353-C355 PolarHBondContact O-N 3.19Å; C355-A358 PolarHBondContact O-N 2.84Å; C355-E359 PolarHBondContact O-N 3.46Å; C355-E359 VanDerWaalsContact O-N 3.11Å
356	I	98.9	Very high	98.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.4	-45.7	177.7	-68.5	162.9	0	0	0	110.8	M277 L294 P296 Y333 S352 L353 A358 E359 L360	M277-I356 HydrophobicContact CE-CG2 4.08Å; M277-I356 HydrophobicContact SD-CG2 4.22Å; L294-I356 HydrophobicContact CB-CD1 4.48Å; L294-I356 HydrophobicContact CD2-CD1 3.98Å; L294-I356 HydrophobicContact CG-CD1 3.71Å; P296-I356 HydrophobicContact CG-CG1 4.24Å; P296-I356 HydrophobicContact CG-CG2 4.43Å; Y333-I356 HydrophobicContact CD1-CG1 3.81Å; Y333-I356 HydrophobicContact CE1-CG1 3.95Å; S352-I356 WeakPolarHBondContact O-CD1 3.15Å; S352-I356 VanDerWaalsContact O-CG1 3.24Å; S352-I356 WeakPolarHBondContact O-CG1 3.25Å; S352-I356 PolarHBondContact O-N 3.45Å; L353-I356 PolarHBondContact O-N 3.4Å; I356-A358 VanDerWaalsContact C-N 3.34Å; I356-A358 PolarHBondContact O-N 2.8Å; I356-E359 PolarHBondContact O-N 2.85Å; I356-E359 VanDerWaalsContact O-N 3.16Å; I356-L360 HydrophobicContact CG2-CD1 3.82Å; I356-L360 HydrophobicContact CG2-CG 4.13Å; I356-L360 VanDerWaalsContact O-CG 3.29Å; I356-L360 WeakPolarHBondContact O-CG 3.35Å; I356-L360 PolarHBondContact O-N 3.29Å
357	L	98.9	Very high	98.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.4	-39.1	-177.5	-66.1	-178	0	0	0	112.3	V270 A274 M277 L353 G354 E359 L360 L361 F453 F456 L457 W479	V270-L357 HydrophobicContact CG1-CB 4.23Å; V270-L357 HydrophobicContact CG1-CD2 3.98Å; A274-L357 HydrophobicContact CB-CD1 3.76Å; A274-L357 HydrophobicContact CB-CD2 3.61Å; A274-L357 HydrophobicContact CB-CG 4.35Å; M277-L357 HydrophobicContact CE-CD2 3.6Å; L353-L357 HydrophobicContact CD1-CD1 4.18Å; L353-L357 HydrophobicContact CD1-CD2 4.27Å; L353-L357 HydrophobicContact CD1-CG 4.05Å; L353-L357 HydrophobicContact CG-CD1 4.07Å; L353-L357 HydrophobicContact CG-CG 4.28Å; L353-L357 VanDerWaalsContact O-CG 3.29Å; L353-L357 WeakPolarHBondContact O-CG 3.48Å; L353-L357 PolarHBondContact O-N 2.93Å; G354-L357 PolarHBondContact O-N 3.12Å; L357-E359 VanDerWaalsContact C-N 3.34Å; L357-L360 HydrophobicContact CD2-CD1 4.24Å; L357-L360 PolarHBondContact O-N 3.4Å; L357-L361 PolarHBondContact O-N 3.28Å; L357-F453 HydrophobicContact CB-CE2 4.06Å; L357-F453 HydrophobicContact CB-CZ 4.06Å; L357-F456 HydrophobicContact CD1-CD1 4.15Å; L357-F456 HydrophobicContact CD1-CE1 3.59Å; L357-F456 HydrophobicContact CD1-CZ 4.48Å; L357-L457 HydrophobicContact CB-CD2 4.05Å; L357-W479 HydrophobicContact CD1-CH2 4.17Å; L357-W479 HydrophobicContact CD1-CZ3 4.07Å
358	A	98.9	Very high	98.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.4	-38.8	173.6	0	0	0	0	0	112.1	G354 C355 I356 L361 T362 L366 L445 L457	G354-A358 PolarHBondContact O-N 2.9Å; C355-A358 PolarHBondContact O-N 2.84Å; I356-A358 VanDerWaalsContact C-N 3.34Å; I356-A358 PolarHBondContact O-N 2.8Å; A358-L361 PolarHBondContact O-N 3.06Å; A358-T362 WeakPolarHBondContact O-CB 3.1Å; A358-T362 WeakPolarHBondContact O-CG2 3.47Å; A358-T362 PolarHBondContact O-N 3.04Å; A358-T362 PolarHBondContact O-OG1 2.81Å; A358-L366 HydrophobicContact CB-CB 3.9Å; A358-L366 HydrophobicContact CB-CD1 4.15Å; A358-L366 HydrophobicContact CB-CD2 3.87Å; A358-L366 HydrophobicContact CB-CG 4.19Å; A358-L445 HydrophobicContact CB-CD2 3.85Å; A358-L457 HydrophobicContact CB-CD1 3.99Å
359	E	98.8	Very high	98.7	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.014	5%	0.053	C	C	.	.	H	α-helix	trans	-68.7	-41.1	176.3	179.4	169.4	-169.1	0	0	112.6	I257 Y333 C355 I356 L357 L361 T362 G363 Y364	I257-E359 HydrophobicContact CD1-CG 3.92Å; Y333-E359 VanDerWaalsContact CE1-OE2 3.25Å; Y333-E359 WeakPolarHBondContact CE1-OE2 3.45Å; Y333-E359 VanDerWaalsContact CZ-OE2 3.3Å; Y333-E359 PolarHBondContact OH-OE2 2.83Å; C355-E359 PolarHBondContact O-N 3.46Å; C355-E359 VanDerWaalsContact O-N 3.11Å; I356-E359 PolarHBondContact O-N 2.85Å; I356-E359 VanDerWaalsContact O-N 3.16Å; L357-E359 VanDerWaalsContact C-N 3.34Å; E359-L361 VanDerWaalsContact C-N 3.28Å; E359-L361 PolarHBondContact O-N 3.35Å; E359-T362 PolarHBondContact O-N 3.48Å; E359-G363 CarbonylContact O-C 3.55Å; E359-G363 WeakPolarHBondContact O-CA 2.97Å; E359-G363 PolarHBondContact O-N 3.37Å; E359-Y364 WeakPolarHBondContact CA-O 3.35Å
360	L	98.9	Very high	98.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.4	-40.4	173.5	-70.2	173	0	0	0	111.4	L253 I257 F265 V270 F273 M277 I356 L357	L253-L360 HydrophobicContact CB-CD2 4.15Å; L253-L360 HydrophobicContact CD1-CD1 4.08Å; L253-L360 HydrophobicContact CD1-CD2 4.04Å; I257-L360 HydrophobicContact CD1-CD2 4.01Å; I257-L360 HydrophobicContact CG1-CD2 4.16Å; F265-L360 WeakPolarHBondContact CB-O 2.98Å; F265-L360 HydrophobicContact CD2-CB 4.07Å; F265-L360 HydrophobicContact CD2-CD2 3.92Å; F265-L360 WeakPolarHBondContact CD2-O 3.49Å; F265-L360 HydrophobicContact CE2-CD2 3.72Å; F265-L360 PolarHBondContact N-O 2.92Å; V270-L360 HydrophobicContact CG1-CB 4.49Å; V270-L360 HydrophobicContact CG2-CB 4.08Å; F273-L360 HydrophobicContact CB-CD1 4.12Å; F273-L360 HydrophobicContact CD2-CD1 4.06Å; F273-L360 HydrophobicContact CG-CD1 4.45Å; M277-L360 HydrophobicContact CE-CD1 4.33Å; I356-L360 HydrophobicContact CG2-CD1 3.82Å; I356-L360 HydrophobicContact CG2-CG 4.13Å; I356-L360 VanDerWaalsContact O-CG 3.29Å; I356-L360 WeakPolarHBondContact O-CG 3.35Å; I356-L360 PolarHBondContact O-N 3.29Å; L357-L360 HydrophobicContact CD2-CD1 4.24Å; L357-L360 PolarHBondContact O-N 3.4Å
361	L	98.8	Very high	98.6	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-68	-45.5	178.3	-179.9	62.5	0	0	0	112.1	G264 F265 L267 V270 L357 A358 E359 M448 F453	G264-L361 WeakPolarHBondContact CA-O 3.45Å; F265-L361 PolarHBondContact N-O 3.46Å; F265-L361 WeakPolarHBondContact O-CD1 3.31Å; L267-L361 HydrophobicContact CD2-CD1 3.7Å; L267-L361 HydrophobicContact CD2-CD2 3.95Å; L267-L361 HydrophobicContact CD2-CG 4.45Å; L267-L361 HydrophobicContact CG-CD1 3.88Å; V270-L361 HydrophobicContact CG2-CB 4.18Å; V270-L361 HydrophobicContact CG2-CD1 4.41Å; L357-L361 PolarHBondContact O-N 3.28Å; A358-L361 PolarHBondContact O-N 3.06Å; E359-L361 VanDerWaalsContact C-N 3.28Å; E359-L361 PolarHBondContact O-N 3.35Å; L361-M448 HydrophobicContact CD1-CB 4Å; L361-M448 HydrophobicContact CD1-CE 4.39Å; L361-M448 HydrophobicContact CD2-CB 4.03Å; L361-M448 HydrophobicContact CG-CB 3.88Å; L361-M448 WeakPolarHBondContact O-CE 3.43Å; L361-F453 HydrophobicContact CB-CE1 4.35Å; L361-F453 HydrophobicContact CB-CZ 4.42Å; L361-F453 HydrophobicContact CD2-CD1 3.73Å; L361-F453 HydrophobicContact CD2-CE1 3.3Å; L361-F453 HydrophobicContact CD2-CZ 4.12Å; L361-F453 HydrophobicContact CG-CE1 4.44Å
362	T	98.6	Very high	98.5	Very high	5 Å²	5	15 Å²	15	3%	0.031	8%	0.075	C	C	.	.	H	α-helix	trans	-97.4	-16.8	-168.1	63.2	0	0	0	0	114.5	A358 E359 Y364 L445 K446	A358-T362 WeakPolarHBondContact O-CB 3.1Å; A358-T362 WeakPolarHBondContact O-CG2 3.47Å; A358-T362 PolarHBondContact O-N 3.04Å; A358-T362 PolarHBondContact O-OG1 2.81Å; E359-T362 PolarHBondContact O-N 3.48Å; T362-Y364 VanDerWaalsContact C-N 3.32Å; T362-Y364 WeakPolarHBondContact O-CD2 3.44Å; T362-Y364 PolarHBondContact OG1-N 2.95Å; T362-Y364 PolarHBondContact OG1-O 3.44Å; T362-Y364 VanDerWaalsContact OG1-O 3.04Å; T362-L445 HydrophobicContact CG2-CB 4.44Å; T362-L445 HydrophobicContact CG2-CD2 4.26Å; T362-K446 PolarHBondContact O-NZ 3.39Å; T362-K446 VanDerWaalsContact O-NZ 3.09Å
363	G	98.5	Very high	98.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	9%	0.092	C	C	.	.	S	Bend	trans	80.5	-0.6	-170.3	0	0	0	0	0	115	F262 E359	F262-G363 WeakPolarHBondContact CD1-O 3.43Å; E359-G363 CarbonylContact O-C 3.55Å; E359-G363 WeakPolarHBondContact O-CA 2.97Å; E359-G363 PolarHBondContact O-N 3.37Å
364	Y	98.4	Very high	98.4	Very high	118 Å²	118	18.9 Å²	18.9	46%	0.463	10%	0.096	S	C	.	.	S	Bend	trans	-135.9	146.9	-175	-64.3	-99.9	0	0	0	111.3	F262 E359 T362 L366	F262-Y364 HydrophobicContact CB-CE2 3.88Å; F262-Y364 WeakPolarHBondContact O-CE2 3.48Å; E359-Y364 WeakPolarHBondContact CA-O 3.35Å; T362-Y364 VanDerWaalsContact C-N 3.32Å; T362-Y364 WeakPolarHBondContact O-CD2 3.44Å; T362-Y364 PolarHBondContact OG1-N 2.95Å; T362-Y364 PolarHBondContact OG1-O 3.44Å; T362-Y364 VanDerWaalsContact OG1-O 3.04Å; Y364-L366 PolarHBondContact O-N 3.48Å
365	P	98.7	Very high	98.4	Very high	34 Å²	34	18.9 Å²	18.9	22%	0.221	10%	0.096	C	C	.	.			trans	-57	134.7	177.9	-21.4	29.5	0	0	0	111.7	F332 L367 P368	F332-P365 HydrophobicContact CB-CB 4.49Å; F332-P365 HydrophobicContact CD2-CB 3.96Å; F332-P365 HydrophobicContact CD2-CG 3.94Å; F332-P365 HydrophobicContact CE2-CG 4.16Å; F332-P365 HydrophobicContact CG-CB 4.38Å; P365-L367 VanDerWaalsContact C-N 3.35Å; P365-L367 PolarHBondContact O-N 3.14Å; P365-P368 HydrophobicContact CB-CB 4.19Å
366	L	98.7	Very high	98.3	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	10%	0.096	C	C	.	.	S	Bend	trans	-63.5	-42.1	-179.9	-178.6	63.9	0	0	0	111.9	A358 Y364 P368 L382 R439 A444 L445 L461	A358-L366 HydrophobicContact CB-CB 3.9Å; A358-L366 HydrophobicContact CB-CD1 4.15Å; A358-L366 HydrophobicContact CB-CD2 3.87Å; A358-L366 HydrophobicContact CB-CG 4.19Å; Y364-L366 PolarHBondContact O-N 3.48Å; L366-P368 WeakPolarHBondContact O-CD 3.28Å; L366-L382 HydrophobicContact CD1-CD2 4.13Å; L366-L382 HydrophobicContact CD2-CD2 4.05Å; L366-L382 HydrophobicContact CG-CD2 4.12Å; L366-R439 PolarHBondContact O-NH1 2.86Å; L366-A444 HydrophobicContact CD1-CB 3.94Å; L366-L445 HydrophobicContact CD1-CD2 4.45Å; L366-L461 HydrophobicContact CD2-CD1 3.62Å
367	L	98.6	Very high	98.3	Very high	2 Å²	2	19 Å²	19	1%	0.01	10%	0.097	C	C	.	.	S	Bend	trans	-127.2	74.1	-174	-57	170.5	0	0	0	110.4	W351 P365 G369 Q375 L378 I379 L382	W351-L367 HydrophobicContact CZ2-CD1 3.93Å; P365-L367 VanDerWaalsContact C-N 3.35Å; P365-L367 PolarHBondContact O-N 3.14Å; L367-G369 VanDerWaalsContact C-N 3.33Å; L367-G369 PolarHBondContact O-N 3.33Å; L367-Q375 VanDerWaalsContact CB-NE2 3.28Å; L367-Q375 PolarHBondContact O-NE2 3.06Å; L367-Q375 VanDerWaalsContact O-NE2 3.12Å; L367-Q375 PolarHBondContact O-OE1 3.26Å; L367-L378 HydrophobicContact CD2-CB 3.97Å; L367-I379 HydrophobicContact CD1-CG1 3.78Å; L367-L382 HydrophobicContact CD2-CD2 4.11Å
368	P	98.3	Very high	98.3	Very high	39 Å²	39	19.1 Å²	19.1	25%	0.253	10%	0.097	S	C	.	.			trans	-83.6	65.7	-175.5	34.8	-35.9	0	0	0	112.6	F332 P365 L366 L378	F332-P368 HydrophobicContact CE1-CB 4.4Å; P365-P368 HydrophobicContact CB-CB 4.19Å; L366-P368 WeakPolarHBondContact O-CD 3.28Å; P368-L378 VanDerWaalsContact C-CD1 3.49Å; P368-L378 HydrophobicContact CG-CD1 4.47Å
369	G	98.1	Very high	98.3	Very high	2 Å²	2	19.1 Å²	19.1	2%	0.021	10%	0.097	C	C	.	.			trans	-72.5	141.3	-177.8	0	0	0	0	0	114	R331 F332 L367 D374 Q375 L378	R331-G369 WeakPolarHBondContact CD-O 3.48Å; F332-G369 VanDerWaalsContact CE1-O 3.29Å; F332-G369 WeakPolarHBondContact CE1-O 3.4Å; L367-G369 VanDerWaalsContact C-N 3.33Å; L367-G369 PolarHBondContact O-N 3.33Å; G369-D374 WeakPolarHBondContact CA-OD2 3.27Å; G369-Q375 VanDerWaalsContact CA-OE1 3.26Å; G369-L378 VanDerWaalsContact N-CD1 3.33Å
370	E	97.6	Very high	98.3	Very high	22 Å²	22	19.1 Å²	19.1	10%	0.103	10%	0.097	C	C	.	.	S	Bend	trans	-76.3	-38.8	-179.3	-67.9	167.3	-162.1	0	0	112.6	R331 D374 S427 K428 R429	R331-E370 PolarHBondContact NE-O 3Å; E370-D374 HydrophobicContact CB-CB 4.3Å; E370-D374 PolarHBondContact N-OD2 3.36Å; E370-S427 VanDerWaalsContact CD-OG 3.25Å; E370-S427 VanDerWaalsContact OE1-CB 3.31Å; E370-S427 WeakPolarHBondContact OE1-CB 3.22Å; E370-S427 PolarHBondContact OE1-OG 2.87Å; E370-S427 WeakPolarHBondContact OE2-CB 3.4Å; E370-S427 PolarHBondContact OE2-OG 2.99Å; E370-K428 PolarHBondContact OE2-N 2.87Å; E370-R429 HydrophobicContact CG-CG 4.37Å; E370-R429 VanDerWaalsContact OE1-CB 3.31Å; E370-R429 WeakPolarHBondContact OE1-CB 3.14Å; E370-R429 WeakPolarHBondContact OE2-CG 3.47Å; E370-R429 PolarHBondContact OE2-N 3.25Å
371	D	97.3	Very high	98.3	Very high	33 Å²	33	20.2 Å²	20.2	18%	0.176	10%	0.102	C	C	.	.	S	Bend	trans	-141.4	-173.7	174.5	61	39.3	0	0	0	110	N373 D374 Q375 K428	D371-N373 VanDerWaalsContact C-N 3.31Å; D371-N373 PolarHBondContact O-N 2.88Å; D371-N373 WeakPolarHBondContact OD1-CB 3.35Å; D371-N373 PolarHBondContact OD1-N 3.05Å; D371-D374 PolarHBondContact OD1-N 3.33Å; D371-Q375 VanDerWaalsContact O-CB 3.24Å; D371-Q375 WeakPolarHBondContact O-CB 3.47Å; D371-Q375 PolarHBondContact O-N 3.18Å; D371-K428 WeakPolarHBondContact OD2-CE 3.5Å; D371-K428 IonicContact OD2-NZ 3.8Å; D371-K428 PolarHBondContact OD2-NZ 3.31Å
372	E	96.8	Very high	98.3	Very high	47 Å²	47	20.5 Å²	20.5	22%	0.22	10%	0.104	C	C	.	.	H	α-helix	trans	-66.3	-29.9	-178.8	61.9	179.9	175.4	0	0	114	I339 L376 R396 F400	I339-E372 HydrophobicContact CG2-CB 4.38Å; E372-L376 PolarHBondContact O-N 2.99Å; E372-L376 VanDerWaalsContact O-N 3.16Å; E372-R396 IonicContact OE1-CZ 2.84Å; E372-R396 IonicContact OE1-NH2 3.8Å; E372-R396 PolarHBondContact OE1-NH2 2.93Å; E372-R396 IonicContact OE2-CZ 3.34Å; E372-R396 VanDerWaalsContact OE2-CZ 3.26Å; E372-R396 IonicContact OE2-NH1 3.03Å; E372-R396 PolarHBondContact OE2-NH1 2.93Å; E372-R396 IonicContact OE2-NH2 3.72Å; E372-R396 PolarHBondContact OE2-NH2 3.14Å; E372-F400 HydrophobicContact CG-CE1 4.27Å; E372-F400 HydrophobicContact CG-CZ 4.33Å
373	N	96.8	Very high	98.3	Very high	70 Å²	70	22.3 Å²	22.3	37%	0.374	11%	0.113	S	C	.	.	H	α-helix	trans	-72.5	-47.4	177.7	-68.5	-81.3	0	0	0	109.8	D371 Q375 L376 A377 F400	D371-N373 VanDerWaalsContact C-N 3.31Å; D371-N373 PolarHBondContact O-N 2.88Å; D371-N373 WeakPolarHBondContact OD1-CB 3.35Å; D371-N373 PolarHBondContact OD1-N 3.05Å; N373-Q375 VanDerWaalsContact C-N 3.3Å; N373-Q375 PolarHBondContact O-N 2.8Å; N373-L376 PolarHBondContact O-N 2.92Å; N373-A377 PolarHBondContact O-N 3.07Å; N373-F400 HydrophobicContact CB-CD1 4.48Å; N373-F400 HydrophobicContact CB-CE1 4.36Å; N373-F400 WeakPolarHBondContact OD1-CD1 3.21Å; N373-F400 WeakPolarHBondContact OD1-CE1 3.38Å
374	D	98.4	Very high	98.3	Very high	13 Å²	13	22.7 Å²	22.7	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-66.2	-33.4	177.3	-169.8	55.4	0	0	0	111.9	G369 E370 D371 A377 L378 S427 R433	G369-D374 WeakPolarHBondContact CA-OD2 3.27Å; E370-D374 HydrophobicContact CB-CB 4.3Å; E370-D374 PolarHBondContact N-OD2 3.36Å; D371-D374 PolarHBondContact OD1-N 3.33Å; D374-A377 PolarHBondContact O-N 2.89Å; D374-L378 WeakPolarHBondContact O-CG 3.5Å; D374-L378 PolarHBondContact O-N 3.28Å; D374-S427 WeakPolarHBondContact OD1-CB 3.23Å; D374-R433 IonicContact OD1-CZ 2.99Å; D374-R433 IonicContact OD1-NE 2.98Å; D374-R433 PolarHBondContact OD1-NE 3.29Å; D374-R433 IonicContact OD1-NH2 3.39Å; D374-R433 PolarHBondContact OD1-NH2 3.44Å; D374-R433 IonicContact OD2-CZ 3.74Å; D374-R433 IonicContact OD2-NE 3.22Å; D374-R433 IonicContact OD2-NH2 2.73Å; D374-R433 PolarHBondContact OD2-NH2 3.02Å
375	Q	98.8	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.2	-47.5	173.2	-172.7	65.6	30.9	0	0	111.2	R331 I339 L367 G369 D371 N373 L378 I379	R331-Q375 HydrophobicContact CG-CB 4.18Å; R331-Q375 HydrophobicContact CG-CG 4.19Å; R331-Q375 PolarHBondContact O-NE2 3.38Å; R331-Q375 PolarHBondContact O-OE1 2.68Å; I339-Q375 HydrophobicContact CD1-CB 4.14Å; I339-Q375 HydrophobicContact CD1-CG 3.71Å; L367-Q375 VanDerWaalsContact CB-NE2 3.28Å; L367-Q375 PolarHBondContact O-NE2 3.06Å; L367-Q375 VanDerWaalsContact O-NE2 3.12Å; L367-Q375 PolarHBondContact O-OE1 3.26Å; G369-Q375 VanDerWaalsContact CA-OE1 3.26Å; D371-Q375 VanDerWaalsContact O-CB 3.24Å; D371-Q375 WeakPolarHBondContact O-CB 3.47Å; D371-Q375 PolarHBondContact O-N 3.18Å; N373-Q375 VanDerWaalsContact C-N 3.3Å; N373-Q375 PolarHBondContact O-N 2.8Å; Q375-L378 PolarHBondContact O-N 3.17Å; Q375-I379 WeakPolarHBondContact O-CG1 3.47Å; Q375-I379 PolarHBondContact O-N 3.31Å
376	L	98.5	Very high	98.1	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-69.1	-34.5	178.1	-169	67	0	0	0	112.2	I339 L340 E372 N373 L378 I379 I380 F400 W463	I339-L376 HydrophobicContact CG2-CB 4.27Å; I339-L376 HydrophobicContact CG2-CD2 4.46Å; L340-L376 HydrophobicContact CD2-CD2 3.87Å; E372-L376 PolarHBondContact O-N 2.99Å; E372-L376 VanDerWaalsContact O-N 3.16Å; N373-L376 PolarHBondContact O-N 2.92Å; L376-L378 VanDerWaalsContact C-N 3.34Å; L376-L378 PolarHBondContact O-N 3.32Å; L376-I379 HydrophobicContact CD1-CD1 4.3Å; L376-I379 WeakPolarHBondContact O-CB 3.35Å; L376-I379 PolarHBondContact O-N 3.42Å; L376-I380 HydrophobicContact CD2-CD1 4.49Å; L376-I380 HydrophobicContact CG-CD1 4.05Å; L376-I380 HydrophobicContact CG-CG1 4.49Å; L376-I380 WeakPolarHBondContact O-CG1 3.16Å; L376-I380 PolarHBondContact O-N 3.21Å; L376-F400 HydrophobicContact CD2-CB 3.43Å; L376-F400 VanDerWaalsContact CD2-CB 3.43Å; L376-F400 HydrophobicContact CD2-CD1 3.81Å; L376-F400 HydrophobicContact CD2-CD2 3.86Å; L376-F400 HydrophobicContact CD2-CG 3.42Å; L376-F400 VanDerWaalsContact CD2-CG 3.42Å; L376-W463 HydrophobicContact CD1-CH2 3.77Å; L376-W463 HydrophobicContact CD1-CZ3 3.9Å
377	A	98.5	Very high	97.8	Very high	3 Å²	3	21 Å²	21	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-58.4	-44.9	173.6	0	0	0	0	0	111.8	N373 D374 I379 I380 E381 Y409 R433	N373-A377 PolarHBondContact O-N 3.07Å; D374-A377 PolarHBondContact O-N 2.89Å; A377-I379 VanDerWaalsContact C-N 3.33Å; A377-I379 PolarHBondContact O-N 3.11Å; A377-I380 PolarHBondContact O-N 2.98Å; A377-E381 VanDerWaalsContact O-CB 3.31Å; A377-E381 WeakPolarHBondContact O-CB 3.13Å; A377-E381 PolarHBondContact O-N 3.19Å; A377-Y409 HydrophobicContact CB-CD1 3.6Å; A377-Y409 HydrophobicContact CB-CD2 3.87Å; A377-Y409 HydrophobicContact CB-CE1 3.95Å; A377-Y409 HydrophobicContact CB-CE2 4.18Å; A377-Y409 HydrophobicContact CB-CG 3.58Å; A377-R433 HydrophobicContact CB-CG 4.46Å
378	L	98.7	Very high	97.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-36.3	175.3	-76.7	166	0	0	0	113.1	L367 P368 G369 D374 Q375 L376 L382	L367-L378 HydrophobicContact CD2-CB 3.97Å; P368-L378 VanDerWaalsContact C-CD1 3.49Å; P368-L378 HydrophobicContact CG-CD1 4.47Å; G369-L378 VanDerWaalsContact N-CD1 3.33Å; D374-L378 WeakPolarHBondContact O-CG 3.5Å; D374-L378 PolarHBondContact O-N 3.28Å; Q375-L378 PolarHBondContact O-N 3.17Å; L376-L378 VanDerWaalsContact C-N 3.34Å; L376-L378 PolarHBondContact O-N 3.32Å; L378-L382 PolarHBondContact O-N 3.17Å
379	I	98.8	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-48.8	174.9	-65	170.5	0	0	0	109.6	P336 I339 W351 L367 Q375 L376 A377 E381 L382 L383 W463	P336-I379 HydrophobicContact CB-CD1 4.43Å; I339-I379 HydrophobicContact CD1-CD1 4.16Å; W351-I379 HydrophobicContact CH2-CD1 4.17Å; W351-I379 HydrophobicContact CH2-CG1 4.25Å; W351-I379 HydrophobicContact CH2-CG2 3.74Å; W351-I379 HydrophobicContact CZ2-CD1 3.65Å; W351-I379 HydrophobicContact CZ2-CG1 3.84Å; W351-I379 HydrophobicContact CZ2-CG2 4.2Å; L367-I379 HydrophobicContact CD1-CG1 3.78Å; Q375-I379 WeakPolarHBondContact O-CG1 3.47Å; Q375-I379 PolarHBondContact O-N 3.31Å; L376-I379 HydrophobicContact CD1-CD1 4.3Å; L376-I379 WeakPolarHBondContact O-CB 3.35Å; L376-I379 PolarHBondContact O-N 3.42Å; A377-I379 VanDerWaalsContact C-N 3.33Å; A377-I379 PolarHBondContact O-N 3.11Å; I379-E381 PolarHBondContact O-N 3.28Å; I379-L382 PolarHBondContact O-N 3.43Å; I379-L383 HydrophobicContact CG2-CD1 3.8Å; I379-L383 HydrophobicContact CG2-CG 4.36Å; I379-L383 WeakPolarHBondContact O-CB 3.43Å; I379-L383 PolarHBondContact O-N 3.45Å; I379-W463 HydrophobicContact CB-CH2 4.22Å; I379-W463 HydrophobicContact CB-CZ2 4.45Å; I379-W463 HydrophobicContact CG2-CH2 3.41Å; I379-W463 VanDerWaalsContact CG2-CH2 3.41Å; I379-W463 HydrophobicContact CG2-CZ2 3.43Å; I379-W463 VanDerWaalsContact CG2-CZ2 3.43Å; I379-W463 HydrophobicContact CG2-CZ3 4.03Å
380	I	98.7	Very high	96.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-40.6	-179.6	-68.2	169.9	0	0	0	111.4	L376 A377 L382 G384 M385 I401 P407 Y409 P436 A437 W463	L376-I380 HydrophobicContact CD2-CD1 4.49Å; L376-I380 HydrophobicContact CG-CD1 4.05Å; L376-I380 HydrophobicContact CG-CG1 4.49Å; L376-I380 WeakPolarHBondContact O-CG1 3.16Å; L376-I380 PolarHBondContact O-N 3.21Å; A377-I380 PolarHBondContact O-N 2.98Å; I380-L382 VanDerWaalsContact C-N 3.27Å; I380-L382 PolarHBondContact O-N 3.17Å; I380-G384 WeakPolarHBondContact CA-O 3.38Å; I380-G384 VanDerWaalsContact O-CA 3.22Å; I380-G384 WeakPolarHBondContact O-CA 3.5Å; I380-G384 PolarHBondContact O-N 3.13Å; I380-M385 HydrophobicContact CD1-SD 4.44Å; I380-M385 HydrophobicContact CG2-SD 3.75Å; I380-I401 HydrophobicContact CD1-CD1 4.14Å; I380-P407 HydrophobicContact CD1-CB 4.07Å; I380-Y409 HydrophobicContact CB-CE1 4.15Å; I380-Y409 HydrophobicContact CD1-CE1 4.36Å; I380-Y409 HydrophobicContact CG2-CE1 3.98Å; I380-P436 HydrophobicContact CG2-CB 3.7Å; I380-P436 HydrophobicContact CG2-CG 3.62Å; I380-P436 WeakPolarHBondContact O-CA 3.34Å; I380-A437 PolarHBondContact O-N 2.82Å; I380-W463 HydrophobicContact CG1-CH2 3.84Å; I380-W463 HydrophobicContact CG1-CZ2 3.9Å
381	E	98.7	Very high	96.2	Very high	23 Å²	23	30.4 Å²	30.4	11%	0.107	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-36.8	176.3	-174.3	-171	-153.6	0	0	112.3	A377 I379 G434 A437 S438 R439	A377-E381 VanDerWaalsContact O-CB 3.31Å; A377-E381 WeakPolarHBondContact O-CB 3.13Å; A377-E381 PolarHBondContact O-N 3.19Å; I379-E381 PolarHBondContact O-N 3.28Å; E381-G434 PolarHBondContact OE1-N 2.87Å; E381-A437 CarbonylContact O-C 3.58Å; E381-A437 VanDerWaalsContact O-C 3.26Å; E381-A437 WeakPolarHBondContact O-CA 3.31Å; E381-A437 PolarHBondContact O-N 3.07Å; E381-S438 PolarHBondContact O-N 3.26Å; E381-R439 HydrophobicContact CG-CB 3.8Å; E381-R439 PolarHBondContact O-N 2.91Å
382	L	98.7	Very high	95.8	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-87.5	-43.4	-179.1	-179.6	63	0	0	0	113.4	L366 L367 L378 I379 I380 R439 W441 A444	L366-L382 HydrophobicContact CD1-CD2 4.13Å; L366-L382 HydrophobicContact CD2-CD2 4.05Å; L366-L382 HydrophobicContact CG-CD2 4.12Å; L367-L382 HydrophobicContact CD2-CD2 4.11Å; L378-L382 PolarHBondContact O-N 3.17Å; I379-L382 PolarHBondContact O-N 3.43Å; I380-L382 VanDerWaalsContact C-N 3.27Å; I380-L382 PolarHBondContact O-N 3.17Å; L382-R439 HydrophobicContact CD1-CG 4.44Å; L382-R439 WeakPolarHBondContact CD1-O 3.4Å; L382-W441 HydrophobicContact CD1-CD2 4.3Å; L382-W441 HydrophobicContact CD2-CH2 4.18Å; L382-W441 HydrophobicContact CD2-CZ2 4.47Å; L382-W441 HydrophobicContact CD2-CZ3 4.34Å; L382-W441 HydrophobicContact CG-CZ2 4.38Å; L382-A444 HydrophobicContact CD1-CB 3.82Å
383	L	98.4	Very high	95.5	Very high	43 Å²	43	38.7 Å²	38.7	23%	0.225	21%	0.21	C	C	.	.	H	α-helix	trans	-103.8	-9.5	-168.7	-56.4	-175.8	0	0	0	113.8	W351 I379 W441 L461	W351-L383 HydrophobicContact CH2-CD1 3.7Å; W351-L383 HydrophobicContact CZ3-CD1 4.09Å; I379-L383 HydrophobicContact CG2-CD1 3.8Å; I379-L383 HydrophobicContact CG2-CG 4.36Å; I379-L383 WeakPolarHBondContact O-CB 3.43Å; I379-L383 PolarHBondContact O-N 3.45Å; L383-W441 HydrophobicContact CD2-CH2 4.03Å; L383-W441 HydrophobicContact CD2-CZ2 3.44Å; L383-W441 VanDerWaalsContact CD2-CZ2 3.44Å; L383-L461 HydrophobicContact CD1-CB 4.28Å; L383-L461 WeakPolarHBondContact CD1-O 3.37Å
384	G	98.2	Very high	95.4	Very high	9 Å²	9	36 Å²	36	9%	0.093	20%	0.197	C	C	.	.			trans	80.6	-173.8	-168	0	0	0	0	0	112.4	I380 W463	I380-G384 WeakPolarHBondContact CA-O 3.38Å; I380-G384 VanDerWaalsContact O-CA 3.22Å; I380-G384 WeakPolarHBondContact O-CA 3.5Å; I380-G384 PolarHBondContact O-N 3.13Å; G384-W463 VanDerWaalsContact O-CZ2 3.27Å; G384-W463 WeakPolarHBondContact O-CZ2 3.42Å; G384-W463 PolarHBondContact O-NE1 3.41Å
385	M	97.5	Very high	95.2	Very high	64 Å²	64	44.6 Å²	44.6	32%	0.315	23%	0.234	S	C	.	.	S	Bend	trans	-67.4	145.7	-177.1	-69.5	-64.4	-68.1	0	0	112.1	I380 I401 G405 P407 P436	I380-M385 HydrophobicContact CD1-SD 4.44Å; I380-M385 HydrophobicContact CG2-SD 3.75Å; M385-I401 HydrophobicContact CE-CD1 3.92Å; M385-I401 HydrophobicContact CE-CG2 4.49Å; M385-G405 WeakPolarHBondContact CE-O 3.43Å; M385-P407 HydrophobicContact CE-CB 4.47Å; M385-P407 HydrophobicContact CE-CG 4.5Å; M385-P407 HydrophobicContact SD-CB 4.12Å; M385-P407 HydrophobicContact SD-CG 3.84Å; M385-P436 HydrophobicContact CG-CB 3.96Å; M385-P436 HydrophobicContact CG-CG 3.93Å; M385-P436 HydrophobicContact SD-CB 4.26Å; M385-P436 HydrophobicContact SD-CG 3.72Å
386	P	95.4	Very high	95.1	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.052	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-58.9	143.1	169.5	23.8	-32.8	0	0	0	110.8	L391 W463	P386-L391 HydrophobicContact CB-CD2 4.23Å; P386-L391 HydrophobicContact CB-CG 4.4Å; P386-L391 HydrophobicContact CG-CD1 4.21Å; P386-L391 HydrophobicContact CG-CD2 3.75Å; P386-L391 HydrophobicContact CG-CG 4.11Å; P386-W463 HydrophobicContact CB-CD2 3.91Å; P386-W463 HydrophobicContact CB-CE3 3.7Å; P386-W463 HydrophobicContact CB-CH2 4.07Å; P386-W463 HydrophobicContact CB-CZ2 4.26Å; P386-W463 HydrophobicContact CB-CZ3 3.78Å; P386-W463 HydrophobicContact CG-CH2 4.24Å; P386-W463 HydrophobicContact CG-CZ3 4.3Å
387	P	93.4	Very high	95	Very high	50 Å²	50	48.7 Å²	48.7	33%	0.325	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-57.7	148	172.8	-23.2	33	0	0	0	112	K389 S390 W463	P387-K389 VanDerWaalsContact C-N 3.31Å; P387-K389 PolarHBondContact O-N 3.07Å; P387-S390 WeakPolarHBondContact O-CB 3.4Å; P387-S390 PolarHBondContact O-N 3.5Å; P387-W463 HydrophobicContact CG-CB 4.18Å
388	P	90.8	Very high	94.8	Very high	99 Å²	99	59 Å²	59	64%	0.643	29%	0.29	S	S	*	.	H	α-helix	trans	-53.8	-43.1	179.3	-28.4	35.5	0	0	0	113.9	S390 L391 E392	P388-S390 PolarHBondContact O-N 2.7Å; P388-L391 WeakPolarHBondContact O-CA 3.27Å; P388-L391 WeakPolarHBondContact O-CB 3.43Å; P388-L391 PolarHBondContact O-N 2.93Å; P388-E392 PolarHBondContact O-N 3.24Å; P388-E392 VanDerWaalsContact O-N 3.16Å
389	K	88.4	Confident	94.7	Very high	108 Å²	108	62.1 Å²	62.1	47%	0.47	31%	0.31	S	S	.	.	H	α-helix	trans	-53	-38.5	175.7	-175.7	-170.3	169.3	-149.8	0	112.3	P387 L391 E392 D464 E466	P387-K389 VanDerWaalsContact C-N 3.31Å; P387-K389 PolarHBondContact O-N 3.07Å; K389-L391 VanDerWaalsContact C-N 3.26Å; K389-L391 PolarHBondContact O-N 3.38Å; K389-E392 PolarHBondContact O-N 3.3Å; K389-D464 IonicContact NZ-OD2 3.82Å; K389-D464 PolarHBondContact NZ-OD2 2.88Å; K389-E466 IonicContact NZ-OE2 3.26Å; K389-E466 PolarHBondContact NZ-OE2 3.12Å
390	S	87.6	Confident	94.6	Very high	15 Å²	15	62.6 Å²	62.6	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-69.7	-23.8	178.7	-51.3	0	0	0	0	112.8	P387 P388	P387-S390 WeakPolarHBondContact O-CB 3.4Å; P387-S390 PolarHBondContact O-N 3.5Å; P388-S390 PolarHBondContact O-N 2.7Å
391	L	90.9	Very high	94.5	Very high	40 Å²	40	62.9 Å²	62.9	21%	0.209	31%	0.313	C	S	.	.	H	α-helix	trans	-88.2	-26.8	179	-62.8	178.9	0	0	0	113.1	L340 P386 P388 K389 T393 A394 A397 I401	L340-L391 HydrophobicContact CD1-CD2 4.5Å; L340-L391 HydrophobicContact CD2-CD2 4.43Å; P386-L391 HydrophobicContact CB-CD2 4.23Å; P386-L391 HydrophobicContact CB-CG 4.4Å; P386-L391 HydrophobicContact CG-CD1 4.21Å; P386-L391 HydrophobicContact CG-CD2 3.75Å; P386-L391 HydrophobicContact CG-CG 4.11Å; P388-L391 WeakPolarHBondContact O-CA 3.27Å; P388-L391 WeakPolarHBondContact O-CB 3.43Å; P388-L391 PolarHBondContact O-N 2.93Å; K389-L391 VanDerWaalsContact C-N 3.26Å; K389-L391 PolarHBondContact O-N 3.38Å; L391-T393 VanDerWaalsContact C-N 3.31Å; L391-T393 PolarHBondContact O-N 3.35Å; L391-A394 WeakPolarHBondContact O-CB 3.38Å; L391-A394 PolarHBondContact O-N 2.94Å; L391-A397 HydrophobicContact CD2-CB 4.06Å; L391-I401 HydrophobicContact CD2-CG1 4.21Å
392	E	89.4	Confident	94.4	Very high	155 Å²	155	63.8 Å²	63.8	72%	0.724	32%	0.321	S	S	*	.	H	α-helix	trans	-59.7	-39.7	-178.4	-73.5	170.2	-164.7	0	0	112.8	P388 K389	P388-E392 PolarHBondContact O-N 3.24Å; P388-E392 VanDerWaalsContact O-N 3.16Å; K389-E392 PolarHBondContact O-N 3.3Å
393	T	89.9	Confident	94	Very high	98 Å²	98	69.6 Å²	69.6	60%	0.601	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-1.4	-179.7	62.3	0	0	0	0	113.3	L391 K395	L391-T393 VanDerWaalsContact C-N 3.31Å; L391-T393 PolarHBondContact O-N 3.35Å; T393-K395 PolarHBondContact O-N 3.46Å
394	A	94.7	Very high	93.7	Very high	13 Å²	13	75.2 Å²	75.2	11%	0.107	38%	0.384	C	S	.	.			trans	-83.7	103.2	-173.1	0	0	0	0	0	112	L340 T342 L391 R396 A397	L340-A394 HydrophobicContact CB-CB 3.96Å; L340-A394 CarbonylContact O-C 3.5Å; T342-A394 VanDerWaalsContact CG2-CA 3.43Å; T342-A394 HydrophobicContact CG2-CB 3.59Å; L391-A394 WeakPolarHBondContact O-CB 3.38Å; L391-A394 PolarHBondContact O-N 2.94Å; A394-R396 PolarHBondContact O-N 3.28Å; A394-A397 HydrophobicContact CB-CB 3.75Å; A394-A397 WeakPolarHBondContact O-CB 3.37Å; A394-A397 PolarHBondContact O-N 3.01Å; A394-A397 VanDerWaalsContact O-N 3.14Å
395	K	95.8	Very high	93.4	Very high	195 Å²	195	76.5 Å²	76.5	85%	0.848	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.4	-179.4	-62.4	-179.9	-178.3	-179.4	0	113.5	L340 T393	L340-K395 PolarHBondContact O-N 3.4Å; T393-K395 PolarHBondContact O-N 3.46Å
396	R	96.3	Very high	93.3	Very high	76 Å²	76	76.8 Å²	76.8	29%	0.287	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	8.9	-177.1	-52.1	178.3	65.8	-154.1	5	113.4	I339 L340 E372 A394 R398 T399 F400	I339-R396 PolarHBondContact O-NH1 2.83Å; L340-R396 WeakPolarHBondContact O-CA 3.35Å; L340-R396 WeakPolarHBondContact O-CB 3.47Å; L340-R396 PolarHBondContact O-N 3.1Å; E372-R396 IonicContact OE1-CZ 2.84Å; E372-R396 IonicContact OE1-NH2 3.8Å; E372-R396 PolarHBondContact OE1-NH2 2.93Å; E372-R396 IonicContact OE2-CZ 3.34Å; E372-R396 VanDerWaalsContact OE2-CZ 3.26Å; E372-R396 IonicContact OE2-NH1 3.03Å; E372-R396 PolarHBondContact OE2-NH1 2.93Å; E372-R396 IonicContact OE2-NH2 3.72Å; E372-R396 PolarHBondContact OE2-NH2 3.14Å; A394-R396 PolarHBondContact O-N 3.28Å; R396-R398 PolarHBondContact O-N 2.88Å; R396-T399 VanDerWaalsContact O-CB 3.26Å; R396-T399 WeakPolarHBondContact O-CB 3.35Å; R396-T399 PolarHBondContact O-N 2.84Å; R396-T399 PolarHBondContact O-OG1 3.25Å; R396-F400 HydrophobicContact CB-CE2 4.08Å; R396-F400 VanDerWaalsContact O-CD2 3.26Å; R396-F400 WeakPolarHBondContact O-CD2 3.18Å
397	A	95.8	Very high	93.3	Very high	12 Å²	12	76.5 Å²	76.5	10%	0.099	39%	0.394	C	S	.	.	H	α-helix	trans	-53.3	-41.9	-178.9	0	0	0	0	0	112.8	L391 A394 T399 F400 I401	L391-A397 HydrophobicContact CD2-CB 4.06Å; A394-A397 HydrophobicContact CB-CB 3.75Å; A394-A397 WeakPolarHBondContact O-CB 3.37Å; A394-A397 PolarHBondContact O-N 3.01Å; A394-A397 VanDerWaalsContact O-N 3.14Å; A397-T399 PolarHBondContact O-N 3.34Å; A397-T399 VanDerWaalsContact O-N 3.13Å; A397-F400 PolarHBondContact O-N 3.36Å; A397-I401 PolarHBondContact O-N 2.92Å
398	R	95.4	Very high	93.5	Very high	219 Å²	219	80.8 Å²	80.8	83%	0.826	40%	0.404	S	S	*	.	H	α-helix	trans	-63	-20.2	-178.9	-64.7	-177.5	-178	176.7	0.9	114.1	R396 F400 R408	R396-R398 PolarHBondContact O-N 2.88Å; R398-F400 VanDerWaalsContact C-N 3.29Å; R398-R408 PolarHBondContact O-NE 2.73Å; R398-R408 PolarHBondContact O-NH2 3.19Å; R398-R408 VanDerWaalsContact O-NH2 3.16Å
399	T	96.6	Very high	93.8	Very high	68 Å²	68	78.1 Å²	78.1	42%	0.417	38%	0.381	S	S	.	.	H	α-helix	trans	-69.4	-29.8	173.9	-56	0	0	0	0	111.6	R396 A397 R408	R396-T399 VanDerWaalsContact O-CB 3.26Å; R396-T399 WeakPolarHBondContact O-CB 3.35Å; R396-T399 PolarHBondContact O-N 2.84Å; R396-T399 PolarHBondContact O-OG1 3.25Å; A397-T399 PolarHBondContact O-N 3.34Å; A397-T399 VanDerWaalsContact O-N 3.13Å; T399-R408 VanDerWaalsContact O-CD 3.24Å; T399-R408 WeakPolarHBondContact O-CD 3.34Å
400	F	96.9	Very high	94.2	Very high	9 Å²	9	73.7 Å²	73.7	4%	0.039	36%	0.364	C	S	.	.	H	α-helix	trans	-115.6	-27.4	-171.2	-52.7	-75	0	0	0	113.8	I339 L340 E372 N373 L376 R396 A397 R398 R408	I339-F400 HydrophobicContact CG2-CE1 4.07Å; I339-F400 HydrophobicContact CG2-CE2 3.88Å; I339-F400 HydrophobicContact CG2-CZ 3.56Å; L340-F400 HydrophobicContact CD2-CD2 4.01Å; E372-F400 HydrophobicContact CG-CE1 4.27Å; E372-F400 HydrophobicContact CG-CZ 4.33Å; N373-F400 HydrophobicContact CB-CD1 4.48Å; N373-F400 HydrophobicContact CB-CE1 4.36Å; N373-F400 WeakPolarHBondContact OD1-CD1 3.21Å; N373-F400 WeakPolarHBondContact OD1-CE1 3.38Å; L376-F400 HydrophobicContact CD2-CB 3.43Å; L376-F400 VanDerWaalsContact CD2-CB 3.43Å; L376-F400 HydrophobicContact CD2-CD1 3.81Å; L376-F400 HydrophobicContact CD2-CD2 3.86Å; L376-F400 HydrophobicContact CD2-CG 3.42Å; L376-F400 VanDerWaalsContact CD2-CG 3.42Å; R396-F400 HydrophobicContact CB-CE2 4.08Å; R396-F400 VanDerWaalsContact O-CD2 3.26Å; R396-F400 WeakPolarHBondContact O-CD2 3.18Å; A397-F400 PolarHBondContact O-N 3.36Å; R398-F400 VanDerWaalsContact C-N 3.29Å; F400-R408 VanDerWaalsContact O-CB 3.31Å; F400-R408 WeakPolarHBondContact O-CB 3.46Å; F400-R408 WeakPolarHBondContact O-CG 3.47Å; F400-R408 PolarHBondContact O-N 3.46Å
401	I	96.7	Very high	94.5	Very high	9 Å²	9	77.2 Å²	77.2	5%	0.046	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-118.8	137.8	-176.9	-49.3	-59	0	0	0	108.7	I380 M385 L391 A397 P407 R408	I380-I401 HydrophobicContact CD1-CD1 4.14Å; M385-I401 HydrophobicContact CE-CD1 3.92Å; M385-I401 HydrophobicContact CE-CG2 4.49Å; L391-I401 HydrophobicContact CD2-CG1 4.21Å; A397-I401 PolarHBondContact O-N 2.92Å; I401-P407 HydrophobicContact CD1-CB 4.16Å; I401-R408 PolarHBondContact O-NE 3.23Å
402	T	95.1	Very high	94.7	Very high	42 Å²	42	77.6 Å²	77.6	26%	0.258	39%	0.393	S	S	.	.			trans	-73.3	165.6	175.8	64.6	0	0	0	0	111.1	K404 G405 Y406 R408	T402-K404 PolarHBondContact O-N 3.49Å; T402-G405 PolarHBondContact O-N 2.95Å; T402-Y406 WeakPolarHBondContact CG2-O 3.47Å; T402-Y406 PolarHBondContact N-O 3.02Å; T402-Y406 PolarHBondContact OG1-N 3.07Å; T402-Y406 PolarHBondContact OG1-O 3.25Å; T402-R408 HydrophobicContact CG2-CG 3.68Å
403	S	91.2	Very high	94.9	Very high	129 Å²	129	73.5 Å²	73.5	90%	0.902	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.4	174.5	50.7	0	0	0	0	113.7	G405	S403-G405 VanDerWaalsContact C-N 3.25Å; S403-G405 PolarHBondContact O-N 3.43Å
404	K	91.1	Very high	95.1	Very high	161 Å²	161	73.2 Å²	73.2	70%	0.7	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	1.9	175.6	-62	-174	179.6	-176.3	0	113.3	T402 Y406	T402-K404 PolarHBondContact O-N 3.49Å; K404-Y406 HydrophobicContact CB-CD2 3.7Å; K404-Y406 HydrophobicContact CB-CE2 3.57Å; K404-Y406 HydrophobicContact CD-CD2 4.49Å; K404-Y406 HydrophobicContact CD-CE2 3.99Å; K404-Y406 HydrophobicContact CG-CE2 4.44Å
405	G	92.1	Very high	95.1	Very high	37 Å²	37	76.5 Å²	76.5	38%	0.381	40%	0.395	S	S	.	.	S	Bend	trans	85.1	1.7	-179.5	0	0	0	0	0	115	M385 T402 S403	M385-G405 WeakPolarHBondContact CE-O 3.43Å; T402-G405 PolarHBondContact O-N 2.95Å; S403-G405 VanDerWaalsContact C-N 3.25Å; S403-G405 PolarHBondContact O-N 3.43Å
406	Y	95.1	Very high	95	Very high	70 Å²	70	74 Å²	74	28%	0.275	40%	0.399	S	S	.	.			trans	-83.1	144.8	177.6	-51.7	-51.4	0	0	0	112.1	T402 K404 A412 V420 L422	T402-Y406 WeakPolarHBondContact CG2-O 3.47Å; T402-Y406 PolarHBondContact N-O 3.02Å; T402-Y406 PolarHBondContact OG1-N 3.07Å; T402-Y406 PolarHBondContact OG1-O 3.25Å; K404-Y406 HydrophobicContact CB-CD2 3.7Å; K404-Y406 HydrophobicContact CB-CE2 3.57Å; K404-Y406 HydrophobicContact CD-CD2 4.49Å; K404-Y406 HydrophobicContact CD-CE2 3.99Å; K404-Y406 HydrophobicContact CG-CE2 4.44Å; Y406-A412 HydrophobicContact CD2-CB 3.99Å; Y406-A412 HydrophobicContact CE2-CB 4.39Å; Y406-A412 HydrophobicContact CG-CB 4.39Å; Y406-V420 HydrophobicContact CE1-CG1 4.21Å; Y406-V420 HydrophobicContact CE2-CG1 4.23Å; Y406-L422 HydrophobicContact CD1-CD1 4.29Å; Y406-L422 HydrophobicContact CD1-CD2 3.92Å; Y406-L422 HydrophobicContact CG-CD2 4.05Å
407	P	97	Very high	94.8	Very high	1 Å²	1	76.3 Å²	76.3	1%	0.006	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-70.2	133.7	175.5	31.3	-33.6	0	0	0	110.2	I380 M385 I401 Y409 C410 L422 P436	I380-P407 HydrophobicContact CD1-CB 4.07Å; M385-P407 HydrophobicContact CE-CB 4.47Å; M385-P407 HydrophobicContact CE-CG 4.5Å; M385-P407 HydrophobicContact SD-CB 4.12Å; M385-P407 HydrophobicContact SD-CG 3.84Å; I401-P407 HydrophobicContact CD1-CB 4.16Å; P407-Y409 HydrophobicContact CB-CD1 3.69Å; P407-Y409 HydrophobicContact CB-CE1 3.61Å; P407-Y409 HydrophobicContact CG-CD1 4.28Å; P407-Y409 HydrophobicContact CG-CE1 3.87Å; P407-Y409 PolarHBondContact O-N 3.42Å; P407-C410 HydrophobicContact CG-CB 4.03Å; P407-C410 PolarHBondContact O-N 2.84Å; P407-L422 HydrophobicContact CG-CD1 4.45Å; P407-P436 HydrophobicContact CG-CG 4.05Å
408	R	96.9	Very high	94.5	Very high	141 Å²	141	78.9 Å²	78.9	53%	0.532	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17	-175.1	-72.9	178.2	177.6	-80.9	5	114.3	R398 T399 F400 I401 T402	R398-R408 PolarHBondContact O-NE 2.73Å; R398-R408 PolarHBondContact O-NH2 3.19Å; R398-R408 VanDerWaalsContact O-NH2 3.16Å; T399-R408 VanDerWaalsContact O-CD 3.24Å; T399-R408 WeakPolarHBondContact O-CD 3.34Å; F400-R408 VanDerWaalsContact O-CB 3.31Å; F400-R408 WeakPolarHBondContact O-CB 3.46Å; F400-R408 WeakPolarHBondContact O-CG 3.47Å; F400-R408 PolarHBondContact O-N 3.46Å; I401-R408 PolarHBondContact O-NE 3.23Å; T402-R408 HydrophobicContact CG2-CG 3.68Å
409	Y	96.7	Very high	94.4	Very high	42 Å²	42	70.7 Å²	70.7	17%	0.165	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.2	173.1	85.1	-90.2	0	0	0	112	A377 I380 P407 A425 R433 G434	A377-Y409 HydrophobicContact CB-CD1 3.6Å; A377-Y409 HydrophobicContact CB-CD2 3.87Å; A377-Y409 HydrophobicContact CB-CE1 3.95Å; A377-Y409 HydrophobicContact CB-CE2 4.18Å; A377-Y409 HydrophobicContact CB-CG 3.58Å; I380-Y409 HydrophobicContact CB-CE1 4.15Å; I380-Y409 HydrophobicContact CD1-CE1 4.36Å; I380-Y409 HydrophobicContact CG2-CE1 3.98Å; P407-Y409 HydrophobicContact CB-CD1 3.69Å; P407-Y409 HydrophobicContact CB-CE1 3.61Å; P407-Y409 HydrophobicContact CG-CD1 4.28Å; P407-Y409 HydrophobicContact CG-CE1 3.87Å; P407-Y409 PolarHBondContact O-N 3.42Å; Y409-A425 WeakPolarHBondContact O-CB 3.29Å; Y409-R433 HydrophobicContact CD2-CB 4.12Å; Y409-R433 HydrophobicContact CE2-CB 3.9Å; Y409-G434 VanDerWaalsContact CE2-O 3.28Å; Y409-G434 WeakPolarHBondContact CE2-O 3.38Å; Y409-G434 PolarHBondContact OH-O 2.91Å
410	C	97	Very high	94.2	Very high	16 Å²	16	70 Å²	70	11%	0.108	42%	0.416	C	S	.	.	S	Bend	trans	-94.1	151	176.8	-71.6	0	0	0	0	111.9	P407 L422 A423	P407-C410 HydrophobicContact CG-CB 4.03Å; P407-C410 PolarHBondContact O-N 2.84Å; C410-L422 HydrophobicContact CB-CB 4.32Å; C410-L422 HydrophobicContact CB-CD2 4.39Å; C410-A423 CarbonylContact C-O 3.33Å; C410-A423 WeakPolarHBondContact CA-O 3.3Å; C410-A423 VanDerWaalsContact CB-O 3.26Å; C410-A423 WeakPolarHBondContact CB-O 3.19Å
411	T	94.9	Very high	94.1	Very high	88 Å²	88	72.8 Å²	72.8	54%	0.54	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.5	163.7	-55.9	0	0	0	0	108.6	L422 A423	T411-L422 WeakPolarHBondContact O-CA 3.29Å; T411-A423 PolarHBondContact N-O 3.16Å; T411-A423 PolarHBondContact O-N 3.17Å
412	A	94.4	Very high	94.1	Very high	48 Å²	48	74.2 Å²	74.2	40%	0.397	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.9	175.7	0	0	0	0	0	110.1	Y406 V420 L422	Y406-A412 HydrophobicContact CD2-CB 3.99Å; Y406-A412 HydrophobicContact CE2-CB 4.39Å; Y406-A412 HydrophobicContact CG-CB 4.39Å; A412-V420 HydrophobicContact CB-CG1 3.94Å; A412-L422 HydrophobicContact CB-CD2 3.65Å
413	T	94.4	Very high	94.1	Very high	70 Å²	70	74.4 Å²	74.4	43%	0.429	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.4	178	-55.4	0	0	0	0	109.4	V420 V421	T413-V420 WeakPolarHBondContact O-CA 3.47Å; T413-V421 PolarHBondContact N-O 3.11Å; T413-V421 PolarHBondContact O-N 3.35Å
414	S	94.1	Very high	94.2	Very high	92 Å²	92	69.3 Å²	69.3	64%	0.643	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.3	171.5	-66.7	0	0	0	0	109.8
415	M	93.7	Very high	94.4	Very high	82 Å²	82	63.2 Å²	63.2	40%	0.404	40%	0.395	S	S	.	.			trans	-90.5	160.1	177.4	-66	-59.3	-153.4	0	0	111	D417 G418 S419 V421	M415-D417 WeakPolarHBondContact CB-OD1 3.28Å; M415-D417 PolarHBondContact O-N 2.77Å; M415-G418 PolarHBondContact O-N 3.04Å; M415-S419 WeakPolarHBondContact CB-OG 3.46Å; M415-S419 PolarHBondContact N-O 3.49Å; M415-V421 HydrophobicContact CE-CB 4.12Å; M415-V421 HydrophobicContact CE-CG2 3.58Å; M415-V421 HydrophobicContact CG-CG2 3.91Å
416	P	93.6	Very high	94.5	Very high	142 Å²	142	69.5 Å²	69.5	92%	0.922	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.8	178.5	-25.4	35.4	0	0	0	114.6	G418	P416-G418 PolarHBondContact O-N 3.41Å
417	D	93.4	Very high	94.6	Very high	125 Å²	125	66.9 Å²	66.9	67%	0.668	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	2.5	176.3	67.7	-2.7	0	0	0	113.6	M415 S419	M415-D417 WeakPolarHBondContact CB-OD1 3.28Å; M415-D417 PolarHBondContact O-N 2.77Å; D417-S419 VanDerWaalsContact C-N 3.28Å; D417-S419 PolarHBondContact O-N 3.41Å; D417-S419 WeakPolarHBondContact OD1-CB 3.29Å; D417-S419 PolarHBondContact OD1-N 3.04Å; D417-S419 PolarHBondContact OD1-OG 2.91Å; D417-S419 PolarHBondContact OD2-OG 3.48Å
418	G	89.3	Confident	94.4	Very high	65 Å²	65	75.2 Å²	75.2	67%	0.67	44%	0.435	S	S	*	.	S	Bend	trans	83	-4.2	-177.7	0	0	0	0	0	114.6	M415 P416	M415-G418 PolarHBondContact O-N 3.04Å; P416-G418 PolarHBondContact O-N 3.41Å
419	S	92.3	Very high	94.3	Very high	48 Å²	48	76.9 Å²	76.9	34%	0.336	44%	0.441	S	S	.	.			trans	-71.8	157.5	173.7	73.3	0	0	0	0	111.5	M415 D417	M415-S419 WeakPolarHBondContact CB-OG 3.46Å; M415-S419 PolarHBondContact N-O 3.49Å; D417-S419 VanDerWaalsContact C-N 3.28Å; D417-S419 PolarHBondContact O-N 3.41Å; D417-S419 WeakPolarHBondContact OD1-CB 3.29Å; D417-S419 PolarHBondContact OD1-N 3.04Å; D417-S419 PolarHBondContact OD1-OG 2.91Å; D417-S419 PolarHBondContact OD2-OG 3.48Å
420	V	93.1	Very high	94.2	Very high	52 Å²	52	76.3 Å²	76.3	32%	0.315	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.8	176.1	177.1	0	0	0	0	109	Y406 A412 T413 L422	Y406-V420 HydrophobicContact CE1-CG1 4.21Å; Y406-V420 HydrophobicContact CE2-CG1 4.23Å; A412-V420 HydrophobicContact CB-CG1 3.94Å; T413-V420 WeakPolarHBondContact O-CA 3.47Å; V420-L422 HydrophobicContact CG1-CD2 4.39Å
421	V	94.1	Very high	94.2	Very high	68 Å²	68	80.8 Å²	80.8	41%	0.412	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.3	174.8	178.6	0	0	0	0	109.2	T413 M415	T413-V421 PolarHBondContact N-O 3.11Å; T413-V421 PolarHBondContact O-N 3.35Å; M415-V421 HydrophobicContact CE-CB 4.12Å; M415-V421 HydrophobicContact CE-CG2 3.58Å; M415-V421 HydrophobicContact CG-CG2 3.91Å
422	L	96.1	Very high	94.2	Very high	39 Å²	39	81.5 Å²	81.5	20%	0.204	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.3	174.2	-62.5	-178.2	0	0	0	109.7	Y406 P407 C410 T411 A412 V420 P435 P436	Y406-L422 HydrophobicContact CD1-CD1 4.29Å; Y406-L422 HydrophobicContact CD1-CD2 3.92Å; Y406-L422 HydrophobicContact CG-CD2 4.05Å; P407-L422 HydrophobicContact CG-CD1 4.45Å; C410-L422 HydrophobicContact CB-CB 4.32Å; C410-L422 HydrophobicContact CB-CD2 4.39Å; T411-L422 WeakPolarHBondContact O-CA 3.29Å; A412-L422 HydrophobicContact CB-CD2 3.65Å; V420-L422 HydrophobicContact CG1-CD2 4.39Å; L422-P435 HydrophobicContact CB-CB 4.2Å; L422-P435 WeakPolarHBondContact O-CB 3.34Å; L422-P436 HydrophobicContact CD1-CG 4.06Å
423	A	95.5	Very high	94.4	Very high	47 Å²	47	80.1 Å²	80.1	39%	0.388	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.7	168.5	0	0	0	0	0	109.9	C410 T411	C410-A423 CarbonylContact C-O 3.33Å; C410-A423 WeakPolarHBondContact CA-O 3.3Å; C410-A423 VanDerWaalsContact CB-O 3.26Å; C410-A423 WeakPolarHBondContact CB-O 3.19Å; T411-A423 PolarHBondContact N-O 3.16Å; T411-A423 PolarHBondContact O-N 3.17Å
424	G	94.2	Very high	94.5	Very high	22 Å²	22	77.4 Å²	77.4	23%	0.227	44%	0.435	C	S	.	.			trans	-63	174.9	171.3	0	0	0	0	0	113.4	R433	G424-R433 CarbonylContact C-O 3.26Å; G424-R433 WeakPolarHBondContact CA-O 3.49Å
425	A	94.2	Very high	94.7	Very high	32 Å²	32	75.1 Å²	75.1	26%	0.264	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	168.5	176.7	0	0	0	0	0	112.2	Y409 R433	Y409-A425 WeakPolarHBondContact O-CB 3.29Å; A425-R433 PolarHBondContact N-O 3.39Å; A425-R433 PolarHBondContact O-N 2.78Å
426	R	95.7	Very high	94.9	Very high	169 Å²	169	72.8 Å²	72.8	64%	0.638	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.3	174.2	-66.9	-176.4	-179.5	-87.3	1.3	110.7	G430 K431 M432	R426-G430 PolarHBondContact NH1-O 3.38Å; R426-K431 CarbonylContact C-O 3.59Å; R426-K431 VanDerWaalsContact CA-O 3.31Å; R426-K431 WeakPolarHBondContact CA-O 3.33Å; R426-M432 HydrophobicContact CG-CE 4.04Å; R426-M432 HydrophobicContact CG-SD 4.25Å
427	S	95.3	Very high	95.1	Very high	15 Å²	15	69 Å²	69	11%	0.105	39%	0.389	C	S	.	.			trans	-64.3	172.2	167	75.3	0	0	0	0	111.2	E370 D374 R429 G430 K431	E370-S427 VanDerWaalsContact CD-OG 3.25Å; E370-S427 VanDerWaalsContact OE1-CB 3.31Å; E370-S427 WeakPolarHBondContact OE1-CB 3.22Å; E370-S427 PolarHBondContact OE1-OG 2.87Å; E370-S427 WeakPolarHBondContact OE2-CB 3.4Å; E370-S427 PolarHBondContact OE2-OG 2.99Å; D374-S427 WeakPolarHBondContact OD1-CB 3.23Å; S427-R429 PolarHBondContact O-N 3.09Å; S427-R429 PolarHBondContact OG-N 3.41Å; S427-G430 WeakPolarHBondContact O-CA 3.47Å; S427-G430 PolarHBondContact O-N 3.11Å; S427-G430 PolarHBondContact OG-N 3.08Å; S427-K431 PolarHBondContact N-O 3Å; S427-K431 WeakPolarHBondContact OG-CB 3.33Å; S427-K431 PolarHBondContact OG-N 2.65Å
428	K	93.8	Very high	95.4	Very high	176 Å²	176	66 Å²	66	77%	0.765	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.6	176.9	-70.5	174.4	177.5	162.2	0	112.5	E370 D371 G430	E370-K428 PolarHBondContact OE2-N 2.87Å; D371-K428 WeakPolarHBondContact OD2-CE 3.5Å; D371-K428 IonicContact OD2-NZ 3.8Å; D371-K428 PolarHBondContact OD2-NZ 3.31Å; K428-G430 VanDerWaalsContact C-N 3.3Å
429	R	95	Very high	95.8	Very high	176 Å²	176	65.7 Å²	65.7	66%	0.664	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	13.2	174	-53.3	173.3	-169.1	-171.3	1.3	113.5	E370 S427	E370-R429 HydrophobicContact CG-CG 4.37Å; E370-R429 VanDerWaalsContact OE1-CB 3.31Å; E370-R429 WeakPolarHBondContact OE1-CB 3.14Å; E370-R429 WeakPolarHBondContact OE2-CG 3.47Å; E370-R429 PolarHBondContact OE2-N 3.25Å; S427-R429 PolarHBondContact O-N 3.09Å; S427-R429 PolarHBondContact OG-N 3.41Å
430	G	94.8	Very high	96	Very high	31 Å²	31	65.8 Å²	65.8	32%	0.32	36%	0.358	S	S	.	.	S	Bend	trans	83.9	6.3	172.3	0	0	0	0	0	116	R426 S427 K428	R426-G430 PolarHBondContact NH1-O 3.38Å; S427-G430 WeakPolarHBondContact O-CA 3.47Å; S427-G430 PolarHBondContact O-N 3.11Å; S427-G430 PolarHBondContact OG-N 3.08Å; K428-G430 VanDerWaalsContact C-N 3.3Å
431	K	95.6	Very high	96.3	Very high	109 Å²	109	65 Å²	65	47%	0.474	35%	0.349	S	S	.	.			trans	-76.9	131	179.1	-65.1	-176.3	177.5	-179.3	0	110.5	R426 S427	R426-K431 CarbonylContact C-O 3.59Å; R426-K431 VanDerWaalsContact CA-O 3.31Å; R426-K431 WeakPolarHBondContact CA-O 3.33Å; S427-K431 PolarHBondContact N-O 3Å; S427-K431 WeakPolarHBondContact OG-CB 3.33Å; S427-K431 PolarHBondContact OG-N 2.65Å
432	M	96.4	Very high	96.4	Very high	104 Å²	104	64.6 Å²	64.6	51%	0.512	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	138.4	177.8	-169.2	61.9	75.3	0	0	111	R426	R426-M432 HydrophobicContact CG-CE 4.04Å; R426-M432 HydrophobicContact CG-SD 4.25Å
433	R	97.3	Very high	96.4	Very high	19 Å²	19	67.2 Å²	67.2	7%	0.072	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.1	167.7	-51.7	-57.4	178.3	-150	9	107.4	D374 A377 Y409 G424 A425	D374-R433 IonicContact OD1-CZ 2.99Å; D374-R433 IonicContact OD1-NE 2.98Å; D374-R433 PolarHBondContact OD1-NE 3.29Å; D374-R433 IonicContact OD1-NH2 3.39Å; D374-R433 PolarHBondContact OD1-NH2 3.44Å; D374-R433 IonicContact OD2-CZ 3.74Å; D374-R433 IonicContact OD2-NE 3.22Å; D374-R433 IonicContact OD2-NH2 2.73Å; D374-R433 PolarHBondContact OD2-NH2 3.02Å; A377-R433 HydrophobicContact CB-CG 4.46Å; Y409-R433 HydrophobicContact CD2-CB 4.12Å; Y409-R433 HydrophobicContact CE2-CB 3.9Å; G424-R433 CarbonylContact C-O 3.26Å; G424-R433 WeakPolarHBondContact CA-O 3.49Å; A425-R433 PolarHBondContact N-O 3.39Å; A425-R433 PolarHBondContact O-N 2.78Å
434	G	97.6	Very high	96.5	Very high	12 Å²	12	65.3 Å²	65.3	12%	0.124	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-72	171.7	176.9	0	0	0	0	0	113.4	E381 Y409 S438	E381-G434 PolarHBondContact OE1-N 2.87Å; Y409-G434 VanDerWaalsContact CE2-O 3.28Å; Y409-G434 WeakPolarHBondContact CE2-O 3.38Å; Y409-G434 PolarHBondContact OH-O 2.91Å; G434-S438 VanDerWaalsContact CA-OG 3.29Å; G434-S438 WeakPolarHBondContact CA-OG 3.45Å
435	P	98	Very high	96.7	Very high	44 Å²	44	64.3 Å²	64.3	29%	0.286	34%	0.341	S	S	.	.	S	Bend	trans	-64.7	173.1	176.1	27.3	-32.4	0	0	0	112.3	L422 A437 S438	L422-P435 HydrophobicContact CB-CB 4.2Å; L422-P435 WeakPolarHBondContact O-CB 3.34Å; P435-A437 PolarHBondContact O-N 3.35Å; P435-S438 WeakPolarHBondContact CD-OG 3.48Å; P435-S438 VanDerWaalsContact O-CB 3.3Å; P435-S438 WeakPolarHBondContact O-CB 3.16Å; P435-S438 PolarHBondContact O-N 3.19Å; P435-S438 VanDerWaalsContact O-N 3.14Å; P435-S438 PolarHBondContact O-OG 3.43Å
436	P	98.4	Very high	96.8	Very high	33 Å²	33	67.7 Å²	67.7	21%	0.214	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	134.1	-179.6	-27.2	34.1	0	0	0	113.4	I380 M385 P407 L422 S438	I380-P436 HydrophobicContact CG2-CB 3.7Å; I380-P436 HydrophobicContact CG2-CG 3.62Å; I380-P436 WeakPolarHBondContact O-CA 3.34Å; M385-P436 HydrophobicContact CG-CB 3.96Å; M385-P436 HydrophobicContact CG-CG 3.93Å; M385-P436 HydrophobicContact SD-CB 4.26Å; M385-P436 HydrophobicContact SD-CG 3.72Å; P407-P436 HydrophobicContact CG-CG 4.05Å; L422-P436 HydrophobicContact CD1-CG 4.06Å; P436-S438 PolarHBondContact O-N 3.35Å; P436-S438 VanDerWaalsContact O-N 3.15Å
437	A	97.9	Very high	96.7	Very high	63 Å²	63	65.9 Å²	65.9	52%	0.521	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	18.1	-179.4	0	0	0	0	0	115.8	I380 E381 P435	I380-A437 PolarHBondContact O-N 2.82Å; E381-A437 CarbonylContact O-C 3.58Å; E381-A437 VanDerWaalsContact O-C 3.26Å; E381-A437 WeakPolarHBondContact O-CA 3.31Å; E381-A437 PolarHBondContact O-N 3.07Å; P435-A437 PolarHBondContact O-N 3.35Å
438	S	98.1	Very high	96.7	Very high	61 Å²	61	68.5 Å²	68.5	43%	0.427	36%	0.364	S	S	.	.			trans	-76.3	-20.9	179.2	68.7	0	0	0	0	114	E381 G434 P435 P436	E381-S438 PolarHBondContact O-N 3.26Å; G434-S438 VanDerWaalsContact CA-OG 3.29Å; G434-S438 WeakPolarHBondContact CA-OG 3.45Å; P435-S438 WeakPolarHBondContact CD-OG 3.48Å; P435-S438 VanDerWaalsContact O-CB 3.3Å; P435-S438 WeakPolarHBondContact O-CB 3.16Å; P435-S438 PolarHBondContact O-N 3.19Å; P435-S438 VanDerWaalsContact O-N 3.14Å; P435-S438 PolarHBondContact O-OG 3.43Å; P436-S438 PolarHBondContact O-N 3.35Å; P436-S438 VanDerWaalsContact O-N 3.15Å
439	R	97.8	Very high	96.6	Very high	59 Å²	59	61.3 Å²	61.3	22%	0.223	34%	0.34	C	S	.	.	S	Bend	trans	-92.5	113.8	178	-176.8	179.6	-177.3	-158	-0.9	109.7	L366 E381 L382 A444	L366-R439 PolarHBondContact O-NH1 2.86Å; E381-R439 HydrophobicContact CG-CB 3.8Å; E381-R439 PolarHBondContact O-N 2.91Å; L382-R439 HydrophobicContact CD1-CG 4.44Å; L382-R439 WeakPolarHBondContact CD1-O 3.4Å; R439-A444 HydrophobicContact CG-CB 4.42Å
440	S	97.9	Very high	96.5	Very high	51 Å²	51	54.8 Å²	54.8	36%	0.357	32%	0.318	S	S	.	.			trans	-71.1	153.9	177.3	72.3	0	0	0	0	112.4	S442 T443 A444	S440-S442 VanDerWaalsContact C-N 3.29Å; S440-S442 PolarHBondContact O-N 3.17Å; S440-S442 PolarHBondContact OG-OG 2.9Å; S440-T443 PolarHBondContact O-N 3.04Å; S440-T443 WeakPolarHBondContact OG-CB 3.46Å; S440-T443 PolarHBondContact OG-N 3.48Å; S440-T443 PolarHBondContact OG-OG1 3.2Å; S440-A444 WeakPolarHBondContact O-CB 3.47Å; S440-A444 PolarHBondContact O-N 2.88Å
441	W	97.9	Very high	96.6	Very high	35 Å²	35	61.6 Å²	61.6	13%	0.133	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-34.8	173.8	-75.2	91.4	0	0	0	113	L382 L383 A444 L445 V454 L457 K458 L461	L382-W441 HydrophobicContact CD1-CD2 4.3Å; L382-W441 HydrophobicContact CD2-CH2 4.18Å; L382-W441 HydrophobicContact CD2-CZ2 4.47Å; L382-W441 HydrophobicContact CD2-CZ3 4.34Å; L382-W441 HydrophobicContact CG-CZ2 4.38Å; L383-W441 HydrophobicContact CD2-CH2 4.03Å; L383-W441 HydrophobicContact CD2-CZ2 3.44Å; L383-W441 VanDerWaalsContact CD2-CZ2 3.44Å; W441-A444 PolarHBondContact O-N 2.87Å; W441-L445 HydrophobicContact CE3-CD1 4.26Å; W441-L445 WeakPolarHBondContact O-CB 3.47Å; W441-L445 WeakPolarHBondContact O-CG 3.27Å; W441-L445 PolarHBondContact O-N 3.43Å; W441-V454 HydrophobicContact CB-CG1 4.04Å; W441-V454 HydrophobicContact CD2-CG1 4.13Å; W441-V454 HydrophobicContact CE3-CG1 4.42Å; W441-V454 HydrophobicContact CG-CG1 3.96Å; W441-L457 HydrophobicContact CH2-CB 4.28Å; W441-L457 HydrophobicContact CZ3-CB 3.92Å; W441-L457 HydrophobicContact CZ3-CD1 4.16Å; W441-K458 VanDerWaalsContact CD1-CE 3.42Å; W441-K458 HydrophobicContact CD2-CG 4.42Å; W441-K458 HydrophobicContact CH2-CG 4.14Å; W441-K458 HydrophobicContact CZ2-CB 4.49Å; W441-K458 HydrophobicContact CZ2-CG 3.49Å; W441-K458 VanDerWaalsContact CZ2-CG 3.49Å; W441-L461 HydrophobicContact CH2-CD1 3.79Å; W441-L461 HydrophobicContact CZ3-CD1 4.3Å
442	S	97	Very high	96.7	Very high	60 Å²	60	58.6 Å²	58.6	42%	0.42	33%	0.33	S	S	.	.	H	α-helix	trans	-62.6	-47.1	176.9	54.9	0	0	0	0	111	S440 L445 K446 N447	S440-S442 VanDerWaalsContact C-N 3.29Å; S440-S442 PolarHBondContact O-N 3.17Å; S440-S442 PolarHBondContact OG-OG 2.9Å; S442-L445 CarbonylContact O-C 3.57Å; S442-L445 PolarHBondContact O-N 3.36Å; S442-K446 PolarHBondContact O-N 2.9Å; S442-N447 WeakPolarHBondContact CB-OD1 3.48Å; S442-N447 PolarHBondContact O-N 2.99Å; S442-N447 PolarHBondContact O-OD1 3.42Å
443	T	97	Very high	96.8	Very high	93 Å²	93	53.6 Å²	53.6	57%	0.571	31%	0.306	S	S	*	.	H	α-helix	trans	-65.2	-43.1	173.4	-59.3	0	0	0	0	111.7	S440 L445 K446	S440-T443 PolarHBondContact O-N 3.04Å; S440-T443 WeakPolarHBondContact OG-CB 3.46Å; S440-T443 PolarHBondContact OG-N 3.48Å; S440-T443 PolarHBondContact OG-OG1 3.2Å; T443-L445 VanDerWaalsContact C-N 3.25Å; T443-L445 PolarHBondContact O-N 3.06Å; T443-K446 PolarHBondContact O-N 3.46Å
444	A	97.4	Very high	96.9	Very high	7 Å²	7	53.9 Å²	53.9	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-34.7	-179.9	0	0	0	0	0	112.9	L366 L382 R439 S440 W441	L366-A444 HydrophobicContact CD1-CB 3.94Å; L382-A444 HydrophobicContact CD1-CB 3.82Å; R439-A444 HydrophobicContact CG-CB 4.42Å; S440-A444 WeakPolarHBondContact O-CB 3.47Å; S440-A444 PolarHBondContact O-N 2.88Å; W441-A444 PolarHBondContact O-N 2.87Å
445	L	97.9	Very high	96.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	12.1	-179.3	-59	176.8	0	0	0	113.6	A358 T362 L366 W441 S442 T443 N447 M448 F453 V454 L457	A358-L445 HydrophobicContact CB-CD2 3.85Å; T362-L445 HydrophobicContact CG2-CB 4.44Å; T362-L445 HydrophobicContact CG2-CD2 4.26Å; L366-L445 HydrophobicContact CD1-CD2 4.45Å; W441-L445 HydrophobicContact CE3-CD1 4.26Å; W441-L445 WeakPolarHBondContact O-CB 3.47Å; W441-L445 WeakPolarHBondContact O-CG 3.27Å; W441-L445 PolarHBondContact O-N 3.43Å; S442-L445 CarbonylContact O-C 3.57Å; S442-L445 PolarHBondContact O-N 3.36Å; T443-L445 VanDerWaalsContact C-N 3.25Å; T443-L445 PolarHBondContact O-N 3.06Å; L445-N447 PolarHBondContact O-N 3.35Å; L445-N447 VanDerWaalsContact O-N 3.14Å; L445-M448 VanDerWaalsContact O-CB 3.31Å; L445-M448 WeakPolarHBondContact O-CB 3.39Å; L445-M448 PolarHBondContact O-N 3.34Å; L445-F453 HydrophobicContact CD1-CD1 4.27Å; L445-F453 HydrophobicContact CD1-CE1 4.27Å; L445-F453 HydrophobicContact CD2-CE1 4.45Å; L445-V454 HydrophobicContact CD1-CG2 3.77Å; L445-L457 HydrophobicContact CD1-CD1 4Å; L445-L457 HydrophobicContact CD2-CD1 3.87Å
446	K	96	Very high	97	Very high	102 Å²	102	53.8 Å²	53.8	44%	0.443	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	34.7	-178.6	-54.6	179.4	-180	175.3	0	114	T362 S442 T443 M448	T362-K446 PolarHBondContact O-NZ 3.39Å; T362-K446 VanDerWaalsContact O-NZ 3.09Å; S442-K446 PolarHBondContact O-N 2.9Å; T443-K446 PolarHBondContact O-N 3.46Å; K446-M448 HydrophobicContact CB-CG 4.19Å; K446-M448 HydrophobicContact CB-SD 4.28Å; K446-M448 WeakPolarHBondContact O-CG 3.46Å; K446-M448 PolarHBondContact O-N 3.33Å
447	N	93.8	Very high	97	Very high	132 Å²	132	52.2 Å²	52.2	71%	0.706	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	20.1	-174.5	-53.7	-46.2	0	0	0	114.8	S442 L445	S442-N447 WeakPolarHBondContact CB-OD1 3.48Å; S442-N447 PolarHBondContact O-N 2.99Å; S442-N447 PolarHBondContact O-OD1 3.42Å; L445-N447 PolarHBondContact O-N 3.35Å; L445-N447 VanDerWaalsContact O-N 3.14Å
448	M	94.3	Very high	97	Very high	69 Å²	69	54.3 Å²	54.3	34%	0.34	29%	0.291	S	S	.	.			trans	-92.8	-11.5	-177	-58.8	178.7	69.4	0	0	113.9	L361 L445 K446	L361-M448 HydrophobicContact CD1-CB 4Å; L361-M448 HydrophobicContact CD1-CE 4.39Å; L361-M448 HydrophobicContact CD2-CB 4.03Å; L361-M448 HydrophobicContact CG-CB 3.88Å; L361-M448 WeakPolarHBondContact O-CE 3.43Å; L445-M448 VanDerWaalsContact O-CB 3.31Å; L445-M448 WeakPolarHBondContact O-CB 3.39Å; L445-M448 PolarHBondContact O-N 3.34Å; K446-M448 HydrophobicContact CB-CG 4.19Å; K446-M448 HydrophobicContact CB-SD 4.28Å; K446-M448 WeakPolarHBondContact O-CG 3.46Å; K446-M448 PolarHBondContact O-N 3.33Å
449	G	91.5	Very high	97	Very high	25 Å²	25	57.3 Å²	57.3	26%	0.258	29%	0.293	S	S	.	.			trans	-94	134.8	-176.8	0	0	0	0	0	112.8
450	D	94.8	Very high	97.1	Very high	40 Å²	40	54.5 Å²	54.5	21%	0.214	28%	0.282	C	S	.	.			trans	-79.6	165.1	168.1	73.6	6.8	0	0	0	111.4	L267 L452 F453 V454 R482	L267-D450 HydrophobicContact CD1-CB 4.15Å; D450-L452 VanDerWaalsContact C-N 3.26Å; D450-L452 PolarHBondContact O-N 2.87Å; D450-L452 PolarHBondContact OD1-N 2.98Å; D450-F453 PolarHBondContact O-N 3.48Å; D450-F453 VanDerWaalsContact O-N 3.14Å; D450-F453 WeakPolarHBondContact OD1-CB 3.43Å; D450-F453 PolarHBondContact OD1-N 2.63Å; D450-V454 WeakPolarHBondContact O-CG2 3.25Å; D450-V454 PolarHBondContact O-N 3.18Å; D450-R482 IonicContact OD2-NH1 3.7Å
451	E	96.7	Very high	97.1	Very high	173 Å²	173	52.2 Å²	52.2	81%	0.808	27%	0.266	S	S	*	.	H	α-helix	trans	-56.3	-40.7	-177.2	-171.5	-173.4	171	0	0	112.5	V454 D455	E451-V454 PolarHBondContact O-N 3.36Å; E451-D455 PolarHBondContact O-N 3.15Å
452	L	97.4	Very high	97.2	Very high	46 Å²	46	53 Å²	53	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-68.4	-35.9	-179.9	-65.1	180	0	0	0	112.3	D450 F456 H477 K478 W479	D450-L452 VanDerWaalsContact C-N 3.26Å; D450-L452 PolarHBondContact O-N 2.87Å; D450-L452 PolarHBondContact OD1-N 2.98Å; L452-F456 WeakPolarHBondContact O-CB 3.22Å; L452-F456 PolarHBondContact O-N 2.9Å; L452-H477 PolarHBondContact O-CE1 2.97Å; L452-K478 HydrophobicContact CD1-CB 4.5Å; L452-K478 HydrophobicContact CD2-CB 4.09Å; L452-W479 HydrophobicContact CB-CB 3.95Å; L452-W479 HydrophobicContact CB-CG 4.45Å
453	F	98.3	Very high	97.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.2	-41.3	174.1	-178.7	-113.4	0	0	0	111.3	L267 V270 L357 L361 L445 D450 F456 L457 W479	L267-F453 HydrophobicContact CD2-CB 4.15Å; L267-F453 HydrophobicContact CD2-CD1 4.01Å; L267-F453 HydrophobicContact CD2-CD2 4.28Å; L267-F453 HydrophobicContact CD2-CE1 4.49Å; L267-F453 HydrophobicContact CD2-CG 3.87Å; V270-F453 HydrophobicContact CG1-CE2 4.07Å; V270-F453 HydrophobicContact CG1-CZ 4.29Å; L357-F453 HydrophobicContact CB-CE2 4.06Å; L357-F453 HydrophobicContact CB-CZ 4.06Å; L361-F453 HydrophobicContact CB-CE1 4.35Å; L361-F453 HydrophobicContact CB-CZ 4.42Å; L361-F453 HydrophobicContact CD2-CD1 3.73Å; L361-F453 HydrophobicContact CD2-CE1 3.3Å; L361-F453 HydrophobicContact CD2-CZ 4.12Å; L361-F453 HydrophobicContact CG-CE1 4.44Å; L445-F453 HydrophobicContact CD1-CD1 4.27Å; L445-F453 HydrophobicContact CD1-CE1 4.27Å; L445-F453 HydrophobicContact CD2-CE1 4.45Å; D450-F453 PolarHBondContact O-N 3.48Å; D450-F453 VanDerWaalsContact O-N 3.14Å; D450-F453 WeakPolarHBondContact OD1-CB 3.43Å; D450-F453 PolarHBondContact OD1-N 2.63Å; F453-F456 WeakPolarHBondContact O-CB 3.42Å; F453-F456 PolarHBondContact O-N 3.31Å; F453-L457 HydrophobicContact CD1-CD1 4.01Å; F453-L457 HydrophobicContact CD1-CG 4.29Å; F453-L457 HydrophobicContact CD2-CG 4.47Å; F453-L457 HydrophobicContact CE1-CD1 3.36Å; F453-L457 HydrophobicContact CE1-CD2 4.45Å; F453-L457 HydrophobicContact CE1-CG 3.87Å; F453-L457 HydrophobicContact CE2-CD1 4.44Å; F453-L457 HydrophobicContact CE2-CD2 4.11Å; F453-L457 HydrophobicContact CE2-CG 4.11Å; F453-L457 HydrophobicContact CZ-CD1 3.65Å; F453-L457 HydrophobicContact CZ-CD2 3.9Å; F453-L457 HydrophobicContact CZ-CG 3.81Å; F453-L457 WeakPolarHBondContact O-CG 3.21Å; F453-L457 PolarHBondContact O-N 2.87Å; F453-W479 HydrophobicContact CB-CG 4.48Å; F453-W479 AromaticContact CD2-CD2 3.96Å; F453-W479 HydrophobicContact CD2-CD2 3.96Å; F453-W479 AromaticContact CD2-CE2 3.39Å; F453-W479 HydrophobicContact CD2-CE3 4.32Å; F453-W479 AromaticContact CD2-CH2 3.69Å; F453-W479 HydrophobicContact CD2-CH2 3.69Å; F453-W479 AromaticContact CD2-CZ2 3.27Å; F453-W479 HydrophobicContact CD2-CZ2 3.27Å; F453-W479 HydrophobicContact CD2-CZ3 4.19Å; F453-W479 AromaticContact CD2-NE1 3.74Å; F453-W479 AromaticContact CE2-CH2 3.67Å; F453-W479 HydrophobicContact CE2-CH2 3.67Å; F453-W479 AromaticContact CE2-CZ2 3.61Å; F453-W479 HydrophobicContact CE2-CZ2 3.61Å; F453-W479 HydrophobicContact CE2-CZ3 4.32Å; F453-W479 HydrophobicContact CG-CZ2 4.33Å
454	V	98.5	Very high	97.2	Very high	24 Å²	24	47.8 Å²	47.8	15%	0.145	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-42.9	175.5	176.5	0	0	0	0	110.9	W441 L445 D450 E451 L457 K458	W441-V454 HydrophobicContact CB-CG1 4.04Å; W441-V454 HydrophobicContact CD2-CG1 4.13Å; W441-V454 HydrophobicContact CE3-CG1 4.42Å; W441-V454 HydrophobicContact CG-CG1 3.96Å; L445-V454 HydrophobicContact CD1-CG2 3.77Å; D450-V454 WeakPolarHBondContact O-CG2 3.25Å; D450-V454 PolarHBondContact O-N 3.18Å; E451-V454 PolarHBondContact O-N 3.36Å; V454-L457 PolarHBondContact O-N 3.32Å; V454-K458 HydrophobicContact CG1-CD 4.17Å; V454-K458 HydrophobicContact CG1-CG 4.44Å; V454-K458 WeakPolarHBondContact O-CB 3.19Å; V454-K458 WeakPolarHBondContact O-CG 3.47Å; V454-K458 PolarHBondContact O-N 3.39Å
455	D	98.6	Very high	97.1	Very high	55 Å²	55	48.9 Å²	48.9	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-59.2	-45.8	172.7	180	46	0	0	0	111.4	E451 L457 K458 R459 H477	E451-D455 PolarHBondContact O-N 3.15Å; D455-L457 PolarHBondContact O-N 3.49Å; D455-K458 PolarHBondContact O-N 3.05Å; D455-R459 VanDerWaalsContact O-CG 3.31Å; D455-R459 WeakPolarHBondContact O-CG 3.49Å; D455-R459 PolarHBondContact O-N 3.21Å; D455-R459 IonicContact OD1-CZ 3.55Å; D455-R459 IonicContact OD1-NE 3.06Å; D455-R459 PolarHBondContact OD1-NE 2.89Å; D455-R459 IonicContact OD1-NH2 2.81Å; D455-R459 IonicContact OD2-CZ 2.75Å; D455-R459 IonicContact OD2-NE 3.93Å; D455-R459 PolarHBondContact OD2-NE 2.91Å; D455-R459 IonicContact OD2-NH2 2.69Å; D455-R459 PolarHBondContact OD2-NH2 3.42Å; D455-H477 IonicContact OD2-CE1 3.76Å; D455-H477 PolarHBondContact OD2-CE1 3.47Å; D455-H477 IonicContact OD2-NE2 3.9Å; D455-H477 PolarHBondContact OD2-NE2 2.84Å
456	F	98.8	Very high	97	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-46.9	175.9	-172.4	-82.2	0	0	0	112	L278 L357 L452 F453 R459 C460 M469 A474 H477 W479 L480	L278-F456 HydrophobicContact CD1-CZ 4.15Å; L357-F456 HydrophobicContact CD1-CD1 4.15Å; L357-F456 HydrophobicContact CD1-CE1 3.59Å; L357-F456 HydrophobicContact CD1-CZ 4.48Å; L452-F456 WeakPolarHBondContact O-CB 3.22Å; L452-F456 PolarHBondContact O-N 2.9Å; F453-F456 WeakPolarHBondContact O-CB 3.42Å; F453-F456 PolarHBondContact O-N 3.31Å; F456-R459 PolarHBondContact O-N 3.07Å; F456-C460 VanDerWaalsContact CE1-SG 3.58Å; F456-C460 PolarHBondContact O-N 3.36Å; F456-M469 HydrophobicContact CD1-CE 4.12Å; F456-M469 HydrophobicContact CD2-CE 3.68Å; F456-M469 HydrophobicContact CD2-SD 4.46Å; F456-M469 HydrophobicContact CE1-CE 3.98Å; F456-M469 HydrophobicContact CE2-CE 3.59Å; F456-M469 HydrophobicContact CE2-SD 4.43Å; F456-M469 HydrophobicContact CG-CE 3.97Å; F456-M469 HydrophobicContact CZ-CE 3.73Å; F456-A474 HydrophobicContact CE2-CB 3.76Å; F456-A474 HydrophobicContact CZ-CB 3.81Å; F456-H477 HydrophobicContact CD2-CB 3.8Å; F456-H477 AromaticContact CD2-CG 3.6Å; F456-H477 AromaticContact CD2-ND1 3.57Å; F456-H477 HydrophobicContact CE2-CB 4.05Å; F456-W479 HydrophobicContact CB-CB 4.35Å; F456-W479 HydrophobicContact CB-CD2 4.48Å; F456-W479 HydrophobicContact CB-CE3 4.1Å; F456-W479 AromaticContact CD1-CE3 3.94Å; F456-W479 HydrophobicContact CD1-CE3 3.94Å; F456-W479 AromaticContact CD1-CZ3 3.94Å; F456-W479 HydrophobicContact CD1-CZ3 3.94Å; F456-W479 AromaticContact CD2-CE3 3.61Å; F456-W479 HydrophobicContact CD2-CE3 3.61Å; F456-W479 HydrophobicContact CD2-CZ3 4.27Å; F456-W479 HydrophobicContact CE1-CE3 4.27Å; F456-W479 AromaticContact CE1-CZ3 3.98Å; F456-W479 HydrophobicContact CE1-CZ3 3.98Å; F456-W479 AromaticContact CE2-CE3 3.93Å; F456-W479 HydrophobicContact CE2-CE3 3.93Å; F456-W479 HydrophobicContact CE2-CZ3 4.27Å; F456-W479 HydrophobicContact CG-CD2 4.43Å; F456-W479 AromaticContact CG-CE3 3.61Å; F456-W479 HydrophobicContact CG-CE3 3.61Å; F456-W479 HydrophobicContact CG-CZ3 4.1Å; F456-W479 HydrophobicContact CZ-CE3 4.26Å; F456-W479 HydrophobicContact CZ-CZ3 4.14Å; F456-L480 HydrophobicContact CE2-CD1 4.24Å; F456-L480 HydrophobicContact CE2-CG 4.23Å
457	L	98.8	Very high	97.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-43.2	178.6	-72.7	-171.2	0	0	0	112.5	G354 L357 A358 W441 L445 F453 V454 D455 R459 C460 L461	G354-L457 VanDerWaalsContact O-CD2 3.28Å; G354-L457 WeakPolarHBondContact O-CD2 3.26Å; L357-L457 HydrophobicContact CB-CD2 4.05Å; A358-L457 HydrophobicContact CB-CD1 3.99Å; W441-L457 HydrophobicContact CH2-CB 4.28Å; W441-L457 HydrophobicContact CZ3-CB 3.92Å; W441-L457 HydrophobicContact CZ3-CD1 4.16Å; L445-L457 HydrophobicContact CD1-CD1 4Å; L445-L457 HydrophobicContact CD2-CD1 3.87Å; F453-L457 HydrophobicContact CD1-CD1 4.01Å; F453-L457 HydrophobicContact CD1-CG 4.29Å; F453-L457 HydrophobicContact CD2-CG 4.47Å; F453-L457 HydrophobicContact CE1-CD1 3.36Å; F453-L457 HydrophobicContact CE1-CD2 4.45Å; F453-L457 HydrophobicContact CE1-CG 3.87Å; F453-L457 HydrophobicContact CE2-CD1 4.44Å; F453-L457 HydrophobicContact CE2-CD2 4.11Å; F453-L457 HydrophobicContact CE2-CG 4.11Å; F453-L457 HydrophobicContact CZ-CD1 3.65Å; F453-L457 HydrophobicContact CZ-CD2 3.9Å; F453-L457 HydrophobicContact CZ-CG 3.81Å; F453-L457 WeakPolarHBondContact O-CG 3.21Å; F453-L457 PolarHBondContact O-N 2.87Å; V454-L457 PolarHBondContact O-N 3.32Å; D455-L457 PolarHBondContact O-N 3.49Å; L457-R459 VanDerWaalsContact C-N 3.26Å; L457-R459 PolarHBondContact O-N 3.34Å; L457-C460 WeakPolarHBondContact O-CB 3.44Å; L457-C460 PolarHBondContact O-N 3.45Å; L457-C460 VanDerWaalsContact O-N 3.17Å; L457-L461 WeakPolarHBondContact O-CB 3.5Å; L457-L461 WeakPolarHBondContact O-CG 3.34Å; L457-L461 PolarHBondContact O-N 3.32Å
458	K	98.7	Very high	97.3	Very high	106 Å²	106	49.2 Å²	49.2	46%	0.461	25%	0.246	S	C	.	.	H	α-helix	trans	-57.9	-40.6	176.3	-78.1	175.9	174.2	-177.1	0	111.7	W441 V454 D455 L461 D462	W441-K458 VanDerWaalsContact CD1-CE 3.42Å; W441-K458 HydrophobicContact CD2-CG 4.42Å; W441-K458 HydrophobicContact CH2-CG 4.14Å; W441-K458 HydrophobicContact CZ2-CB 4.49Å; W441-K458 HydrophobicContact CZ2-CG 3.49Å; W441-K458 VanDerWaalsContact CZ2-CG 3.49Å; V454-K458 HydrophobicContact CG1-CD 4.17Å; V454-K458 HydrophobicContact CG1-CG 4.44Å; V454-K458 WeakPolarHBondContact O-CB 3.19Å; V454-K458 WeakPolarHBondContact O-CG 3.47Å; V454-K458 PolarHBondContact O-N 3.39Å; D455-K458 PolarHBondContact O-N 3.05Å; K458-L461 CarbonylContact O-C 3.6Å; K458-L461 PolarHBondContact O-N 3.07Å; K458-D462 PolarHBondContact O-N 3Å; K458-D462 VanDerWaalsContact O-N 3.17Å
459	R	98.8	Very high	97.5	Very high	124 Å²	124	46.5 Å²	46.5	47%	0.468	23%	0.233	S	C	.	.	H	α-helix	trans	-71.2	-31.9	177.1	-69.2	173.1	-173.9	-114.7	2.5	113.7	D455 F456 L457 R468 M469	D455-R459 VanDerWaalsContact O-CG 3.31Å; D455-R459 WeakPolarHBondContact O-CG 3.49Å; D455-R459 PolarHBondContact O-N 3.21Å; D455-R459 IonicContact OD1-CZ 3.55Å; D455-R459 IonicContact OD1-NE 3.06Å; D455-R459 PolarHBondContact OD1-NE 2.89Å; D455-R459 IonicContact OD1-NH2 2.81Å; D455-R459 IonicContact OD2-CZ 2.75Å; D455-R459 IonicContact OD2-NE 3.93Å; D455-R459 PolarHBondContact OD2-NE 2.91Å; D455-R459 IonicContact OD2-NH2 2.69Å; D455-R459 PolarHBondContact OD2-NH2 3.42Å; F456-R459 PolarHBondContact O-N 3.07Å; L457-R459 VanDerWaalsContact C-N 3.26Å; L457-R459 PolarHBondContact O-N 3.34Å; R459-R468 WeakPolarHBondContact O-CG 3.08Å; R459-M469 HydrophobicContact CB-CB 3.82Å; R459-M469 HydrophobicContact CB-CE 3.98Å; R459-M469 HydrophobicContact CB-SD 4Å; R459-M469 PolarHBondContact O-N 3.14Å
460	C	98.9	Very high	97.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-70.3	-33.2	170.1	-81	0	0	0	0	112.4	F456 L457 R468 M469	F456-C460 VanDerWaalsContact CE1-SG 3.58Å; F456-C460 PolarHBondContact O-N 3.36Å; L457-C460 WeakPolarHBondContact O-CB 3.44Å; L457-C460 PolarHBondContact O-N 3.45Å; L457-C460 VanDerWaalsContact O-N 3.17Å; C460-R468 WeakPolarHBondContact O-CD 3.35Å; C460-R468 WeakPolarHBondContact O-CG 3.41Å; C460-M469 VanDerWaalsContact SG-CE 3.56Å
461	L	98.8	Very high	98	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	27.5	-173.9	-60.7	172.7	0	0	0	111.9	W351 L366 L383 W441 L457 K458	W351-L461 HydrophobicContact CD2-CD2 3.57Å; W351-L461 HydrophobicContact CE3-CB 4.29Å; W351-L461 HydrophobicContact CE3-CD2 3.76Å; W351-L461 HydrophobicContact CG-CD2 4.05Å; W351-L461 HydrophobicContact CH2-CB 4.41Å; W351-L461 HydrophobicContact CH2-CD2 4.18Å; W351-L461 HydrophobicContact CZ2-CD2 4.02Å; W351-L461 HydrophobicContact CZ3-CB 4.02Å; W351-L461 HydrophobicContact CZ3-CD2 4.07Å; W351-L461 WeakPolarHBondContact CZ3-O 3.37Å; L366-L461 HydrophobicContact CD2-CD1 3.62Å; L383-L461 HydrophobicContact CD1-CB 4.28Å; L383-L461 WeakPolarHBondContact CD1-O 3.37Å; W441-L461 HydrophobicContact CH2-CD1 3.79Å; W441-L461 HydrophobicContact CZ3-CD1 4.3Å; L457-L461 WeakPolarHBondContact O-CB 3.5Å; L457-L461 WeakPolarHBondContact O-CG 3.34Å; L457-L461 PolarHBondContact O-N 3.32Å; K458-L461 CarbonylContact O-C 3.6Å; K458-L461 PolarHBondContact O-N 3.07Å
462	D	98.4	Very high	98.1	Very high	53 Å²	53	39 Å²	39	28%	0.283	20%	0.199	S	C	.	.			trans	-64.8	138.6	172.2	-163.2	-16.7	0	0	0	110.1	K458 D464 T467 R468	K458-D462 PolarHBondContact O-N 3Å; K458-D462 VanDerWaalsContact O-N 3.17Å; D462-D464 PolarHBondContact OD1-N 3.27Å; D462-T467 VanDerWaalsContact CG-OG1 3.29Å; D462-T467 WeakPolarHBondContact OD2-CB 3.31Å; D462-T467 PolarHBondContact OD2-OG1 3.22Å; D462-R468 HydrophobicContact CB-CB 4.08Å; D462-R468 HydrophobicContact CB-CG 4.28Å; D462-R468 VanDerWaalsContact O-CZ 3.3Å; D462-R468 PolarHBondContact O-NE 2.92Å; D462-R468 PolarHBondContact O-NH2 2.94Å
463	W	97.8	Very high	98.1	Very high	20 Å²	20	42 Å²	42	8%	0.076	21%	0.212	C	C	.	.	S	Bend	trans	-64.2	-43.3	178.3	-82.6	107.3	0	0	0	111.7	P336 L340 L376 I379 I380 G384 P386 P387 P465	P336-W463 HydrophobicContact CB-CE3 3.61Å; P336-W463 HydrophobicContact CB-CH2 4.48Å; P336-W463 HydrophobicContact CB-CZ3 3.4Å; P336-W463 VanDerWaalsContact CB-CZ3 3.4Å; P336-W463 HydrophobicContact CG-CE3 3.8Å; P336-W463 HydrophobicContact CG-CZ3 4.1Å; L340-W463 HydrophobicContact CD1-CZ3 4.34Å; L376-W463 HydrophobicContact CD1-CH2 3.77Å; L376-W463 HydrophobicContact CD1-CZ3 3.9Å; I379-W463 HydrophobicContact CB-CH2 4.22Å; I379-W463 HydrophobicContact CB-CZ2 4.45Å; I379-W463 HydrophobicContact CG2-CH2 3.41Å; I379-W463 VanDerWaalsContact CG2-CH2 3.41Å; I379-W463 HydrophobicContact CG2-CZ2 3.43Å; I379-W463 VanDerWaalsContact CG2-CZ2 3.43Å; I379-W463 HydrophobicContact CG2-CZ3 4.03Å; I380-W463 HydrophobicContact CG1-CH2 3.84Å; I380-W463 HydrophobicContact CG1-CZ2 3.9Å; G384-W463 VanDerWaalsContact O-CZ2 3.27Å; G384-W463 WeakPolarHBondContact O-CZ2 3.42Å; G384-W463 PolarHBondContact O-NE1 3.41Å; P386-W463 HydrophobicContact CB-CD2 3.91Å; P386-W463 HydrophobicContact CB-CE3 3.7Å; P386-W463 HydrophobicContact CB-CH2 4.07Å; P386-W463 HydrophobicContact CB-CZ2 4.26Å; P386-W463 HydrophobicContact CB-CZ3 3.78Å; P386-W463 HydrophobicContact CG-CH2 4.24Å; P386-W463 HydrophobicContact CG-CZ3 4.3Å; P387-W463 HydrophobicContact CG-CB 4.18Å; W463-P465 WeakPolarHBondContact O-CD 3.31Å
464	D	96.4	Very high	98.1	Very high	22 Å²	22	42 Å²	42	12%	0.118	21%	0.212	C	C	.	.	S	Bend	trans	-83.1	114	-179.7	-171.7	-13.4	0	0	0	109.4	K389 D462 E466 T467 R468	K389-D464 IonicContact NZ-OD2 3.82Å; K389-D464 PolarHBondContact NZ-OD2 2.88Å; D462-D464 PolarHBondContact OD1-N 3.27Å; D464-E466 PolarHBondContact O-N 3.02Å; D464-E466 WeakPolarHBondContact OD1-CB 3.13Å; D464-E466 PolarHBondContact OD1-N 2.78Å; D464-T467 WeakPolarHBondContact CB-OG1 3.47Å; D464-T467 PolarHBondContact O-N 2.92Å; D464-T467 PolarHBondContact O-OG1 3.14Å; D464-R468 PolarHBondContact O-N 3.44Å
465	P	97	Very high	98.1	Very high	31 Å²	31	42.8 Å²	42.8	20%	0.201	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.9	178.4	26.8	-35.3	0	0	0	113.3	P347 W463	P347-P465 HydrophobicContact CB-CB 3.8Å; P347-P465 HydrophobicContact CG-CB 4.11Å; P347-P465 VanDerWaalsContact CG-O 3.29Å; P347-P465 WeakPolarHBondContact CG-O 3.49Å; W463-P465 WeakPolarHBondContact O-CD 3.31Å
466	E	95.4	Very high	98	Very high	153 Å²	153	47.8 Å²	47.8	72%	0.715	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-32	177	-61.3	-177.4	157.4	0	0	112.4	K389 D464	K389-E466 IonicContact NZ-OE2 3.26Å; K389-E466 PolarHBondContact NZ-OE2 3.12Å; D464-E466 PolarHBondContact O-N 3.02Å; D464-E466 WeakPolarHBondContact OD1-CB 3.13Å; D464-E466 PolarHBondContact OD1-N 2.78Å
467	T	96.6	Very high	98	Very high	85 Å²	85	48.4 Å²	48.4	52%	0.521	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-16.2	178.7	58.5	0	0	0	0	112.9	D462 D464 M469	D462-T467 VanDerWaalsContact CG-OG1 3.29Å; D462-T467 WeakPolarHBondContact OD2-CB 3.31Å; D462-T467 PolarHBondContact OD2-OG1 3.22Å; D464-T467 WeakPolarHBondContact CB-OG1 3.47Å; D464-T467 PolarHBondContact O-N 2.92Å; D464-T467 PolarHBondContact O-OG1 3.14Å; T467-M469 PolarHBondContact O-N 3.15Å
468	R	98.4	Very high	97.8	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.015	27%	0.27	C	S	.	.	S	Bend	trans	-55.2	134.7	176.3	-167.4	-179.8	-64.5	148.6	8.7	111.1	E337 P347 R459 C460 D462 D464 T470	E337-R468 IonicContact OE1-CZ 3.55Å; E337-R468 IonicContact OE1-NH1 3.51Å; E337-R468 PolarHBondContact OE1-NH1 2.98Å; E337-R468 IonicContact OE1-NH2 3.81Å; E337-R468 PolarHBondContact OE1-NH2 2.99Å; E337-R468 IonicContact OE2-CZ 3.38Å; E337-R468 IonicContact OE2-NH1 3.46Å; E337-R468 PolarHBondContact OE2-NH1 3.35Å; E337-R468 IonicContact OE2-NH2 2.65Å; E337-R468 PolarHBondContact OE2-NH2 3.01Å; P347-R468 WeakPolarHBondContact O-CD 3.43Å; P347-R468 PolarHBondContact O-NH1 3.19Å; R459-R468 WeakPolarHBondContact O-CG 3.08Å; C460-R468 WeakPolarHBondContact O-CD 3.35Å; C460-R468 WeakPolarHBondContact O-CG 3.41Å; D462-R468 HydrophobicContact CB-CB 4.08Å; D462-R468 HydrophobicContact CB-CG 4.28Å; D462-R468 VanDerWaalsContact O-CZ 3.3Å; D462-R468 PolarHBondContact O-NE 2.92Å; D462-R468 PolarHBondContact O-NH2 2.94Å; D464-R468 PolarHBondContact O-N 3.44Å; R468-T470 PolarHBondContact O-N 2.99Å
469	M	98.7	Very high	97.8	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.059	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-60.2	128.7	-176	175.7	174.6	68	0	0	111.9	M350 F456 R459 C460 T467 Q473 A474	M350-M469 HydrophobicContact CE-CE 4.31Å; M350-M469 WeakPolarHBondContact CE-O 3.43Å; M350-M469 VanDerWaalsContact CG-O 3.31Å; M350-M469 WeakPolarHBondContact CG-O 3.46Å; F456-M469 HydrophobicContact CD1-CE 4.12Å; F456-M469 HydrophobicContact CD2-CE 3.68Å; F456-M469 HydrophobicContact CD2-SD 4.46Å; F456-M469 HydrophobicContact CE1-CE 3.98Å; F456-M469 HydrophobicContact CE2-CE 3.59Å; F456-M469 HydrophobicContact CE2-SD 4.43Å; F456-M469 HydrophobicContact CG-CE 3.97Å; F456-M469 HydrophobicContact CZ-CE 3.73Å; R459-M469 HydrophobicContact CB-CB 3.82Å; R459-M469 HydrophobicContact CB-CE 3.98Å; R459-M469 HydrophobicContact CB-SD 4Å; R459-M469 PolarHBondContact O-N 3.14Å; C460-M469 VanDerWaalsContact SG-CE 3.56Å; T467-M469 PolarHBondContact O-N 3.15Å; M469-Q473 HydrophobicContact CG-CB 3.82Å; M469-A474 HydrophobicContact CE-CB 3.76Å; M469-A474 HydrophobicContact CG-CB 4.01Å; M469-A474 VanDerWaalsContact SD-CA 3.6Å; M469-A474 HydrophobicContact SD-CB 3.87Å
470	T	98.8	Very high	97.5	Very high	41 Å²	41	45.9 Å²	45.9	25%	0.252	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-78.7	161.7	175.2	62.5	0	0	0	0	111.9	R468 A472 Q473 A474	R468-T470 PolarHBondContact O-N 2.99Å; T470-A472 VanDerWaalsContact C-N 3.32Å; T470-A472 PolarHBondContact O-N 3.47Å; T470-Q473 PolarHBondContact O-N 3.38Å; T470-Q473 WeakPolarHBondContact OG1-CB 3.42Å; T470-Q473 VanDerWaalsContact OG1-CG 3.27Å; T470-Q473 WeakPolarHBondContact OG1-CG 3.14Å; T470-Q473 PolarHBondContact OG1-N 2.91Å; T470-Q473 PolarHBondContact OG1-OE1 3Å; T470-A474 WeakPolarHBondContact O-CB 3.43Å; T470-A474 PolarHBondContact O-N 3.08Å
471	P	98.6	Very high	96.9	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-56.5	-42.5	175.7	-24.4	35.3	0	0	0	113.3	L278 L281 D282 Q285 M350 Q473 A474 L475	L278-P471 HydrophobicContact CD2-CB 3.98Å; L281-P471 HydrophobicContact CB-CB 4.05Å; L281-P471 HydrophobicContact CB-CG 3.71Å; D282-P471 HydrophobicContact CB-CB 4Å; Q285-P471 HydrophobicContact CB-CG 4.45Å; M350-P471 HydrophobicContact CG-CG 4.2Å; M350-P471 HydrophobicContact SD-CB 4.33Å; M350-P471 HydrophobicContact SD-CG 3.75Å; P471-Q473 VanDerWaalsContact C-N 3.35Å; P471-Q473 PolarHBondContact O-N 3.2Å; P471-A474 WeakPolarHBondContact O-CB 3.5Å; P471-A474 PolarHBondContact O-N 3.25Å; P471-L475 WeakPolarHBondContact O-CG 3.44Å; P471-L475 PolarHBondContact O-N 3.38Å
472	A	98.1	Very high	95.6	Very high	35 Å²	35	62 Å²	62	29%	0.289	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-38.4	178	0	0	0	0	0	112.9	T470 K476	T470-A472 VanDerWaalsContact C-N 3.32Å; T470-A472 PolarHBondContact O-N 3.47Å; A472-K476 WeakPolarHBondContact O-CG 3.45Å
473	Q	98.4	Very high	93.6	Very high	109 Å²	109	69.6 Å²	69.6	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-70.2	-41.4	173.3	-72.4	163	-28.8	0	0	111.1	M469 T470 P471 L475 K476 H477	M469-Q473 HydrophobicContact CG-CB 3.82Å; T470-Q473 PolarHBondContact O-N 3.38Å; T470-Q473 WeakPolarHBondContact OG1-CB 3.42Å; T470-Q473 VanDerWaalsContact OG1-CG 3.27Å; T470-Q473 WeakPolarHBondContact OG1-CG 3.14Å; T470-Q473 PolarHBondContact OG1-N 2.91Å; T470-Q473 PolarHBondContact OG1-OE1 3Å; P471-Q473 VanDerWaalsContact C-N 3.35Å; P471-Q473 PolarHBondContact O-N 3.2Å; Q473-L475 PolarHBondContact O-N 2.84Å; Q473-K476 CarbonylContact O-C 3.56Å; Q473-K476 PolarHBondContact O-N 3.34Å; Q473-K476 VanDerWaalsContact O-N 3.08Å; Q473-H477 PolarHBondContact O-N 2.97Å; Q473-H477 VanDerWaalsContact O-N 3.14Å
474	A	98.4	Very high	91.5	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-45.2	178.2	0	0	0	0	0	112.1	L278 M350 F456 M469 T470 P471 K476 H477 L480	L278-A474 HydrophobicContact CD1-CB 3.88Å; L278-A474 HydrophobicContact CD2-CB 3.58Å; L278-A474 HydrophobicContact CG-CB 4.41Å; M350-A474 HydrophobicContact CE-CB 3.76Å; F456-A474 HydrophobicContact CE2-CB 3.76Å; F456-A474 HydrophobicContact CZ-CB 3.81Å; M469-A474 HydrophobicContact CE-CB 3.76Å; M469-A474 HydrophobicContact CG-CB 4.01Å; M469-A474 VanDerWaalsContact SD-CA 3.6Å; M469-A474 HydrophobicContact SD-CB 3.87Å; T470-A474 WeakPolarHBondContact O-CB 3.43Å; T470-A474 PolarHBondContact O-N 3.08Å; P471-A474 WeakPolarHBondContact O-CB 3.5Å; P471-A474 PolarHBondContact O-N 3.25Å; A474-K476 PolarHBondContact O-N 3.32Å; A474-K476 VanDerWaalsContact O-N 3.15Å; A474-H477 WeakPolarHBondContact O-CB 3.34Å; A474-H477 PolarHBondContact O-N 3.14Å; A474-L480 WeakPolarHBondContact O-CD1 3.26Å
475	L	97.4	Very high	88.9	Confident	41 Å²	41	76.6 Å²	76.6	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-57.8	-27.4	175.1	-74.8	168.1	0	0	0	113.2	Y275 L278 L279 D282 P471 Q473	Y275-L475 HydrophobicContact CD2-CD2 3.78Å; Y275-L475 HydrophobicContact CE2-CD2 3.79Å; L278-L475 HydrophobicContact CB-CD2 3.74Å; L278-L475 HydrophobicContact CB-CG 3.98Å; L278-L475 HydrophobicContact CD1-CD2 4.25Å; L278-L475 HydrophobicContact CD1-CG 4.44Å; L279-L475 HydrophobicContact CD2-CD2 4.43Å; D282-L475 HydrophobicContact CB-CD1 4.18Å; P471-L475 WeakPolarHBondContact O-CG 3.44Å; P471-L475 PolarHBondContact O-N 3.38Å; Q473-L475 PolarHBondContact O-N 2.84Å
476	K	96.9	Very high	86.2	Confident	160 Å²	160	80.6 Å²	80.6	70%	0.696	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.1	177.4	-64.6	174.8	-176.1	178.1	0	113.3	A472 Q473 A474 R481	A472-K476 WeakPolarHBondContact O-CG 3.45Å; Q473-K476 CarbonylContact O-C 3.56Å; Q473-K476 PolarHBondContact O-N 3.34Å; Q473-K476 VanDerWaalsContact O-N 3.08Å; A474-K476 PolarHBondContact O-N 3.32Å; A474-K476 VanDerWaalsContact O-N 3.15Å; K476-R481 VanDerWaalsContact O-CD 3.23Å; K476-R481 WeakPolarHBondContact O-CD 3.4Å
477	H	98.1	Very high	83.6	Confident	13 Å²	13	78.3 Å²	78.3	6%	0.06	38%	0.378	C	S	.	.	S	Bend	trans	-64.4	144.6	-176.4	-165.8	-92.3	0	0	0	112.3	L452 D455 F456 Q473 A474 W479 L480 R481	L452-H477 PolarHBondContact O-CE1 2.97Å; D455-H477 IonicContact OD2-CE1 3.76Å; D455-H477 PolarHBondContact OD2-CE1 3.47Å; D455-H477 IonicContact OD2-NE2 3.9Å; D455-H477 PolarHBondContact OD2-NE2 2.84Å; F456-H477 HydrophobicContact CD2-CB 3.8Å; F456-H477 AromaticContact CD2-CG 3.6Å; F456-H477 AromaticContact CD2-ND1 3.57Å; F456-H477 HydrophobicContact CE2-CB 4.05Å; Q473-H477 PolarHBondContact O-N 2.97Å; Q473-H477 VanDerWaalsContact O-N 3.14Å; A474-H477 WeakPolarHBondContact O-CB 3.34Å; A474-H477 PolarHBondContact O-N 3.14Å; H477-W479 WeakPolarHBondContact ND1-CB 3.48Å; H477-W479 PolarHBondContact ND1-N 3.19Å; H477-W479 VanDerWaalsContact ND1-N 3.2Å; H477-W479 PolarHBondContact O-N 2.77Å; H477-L480 PolarHBondContact O-N 3.26Å; H477-R481 PolarHBondContact O-N 3.03Å
478	K	96.3	Very high	81.1	Confident	157 Å²	157	79.7 Å²	79.7	68%	0.683	39%	0.389	S	S	*	.	H	α-helix	trans	-56	-37.7	-177.3	-66.7	-176	-178.2	177.9	0	112.9	L452 L480 R481 R482	L452-K478 HydrophobicContact CD1-CB 4.5Å; L452-K478 HydrophobicContact CD2-CB 4.09Å; K478-L480 VanDerWaalsContact C-N 3.3Å; K478-L480 PolarHBondContact O-N 3.35Å; K478-R481 PolarHBondContact O-N 3.19Å; K478-R482 PolarHBondContact O-N 3.46Å
479	W	96.9	Very high	78.6	Confident	0 Å²	0	90.9 Å²	90.9	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-58.5	-38	176.1	179.4	67.7	0	0	0	113.4	V270 R271 A274 L357 L452 F453 F456 H477	V270-W479 HydrophobicContact CG1-CH2 4.19Å; V270-W479 HydrophobicContact CG1-CZ2 4.29Å; R271-W479 HydrophobicContact CB-CH2 4.35Å; R271-W479 HydrophobicContact CB-CZ2 3.95Å; R271-W479 WeakPolarHBondContact CD-O 3.23Å; R271-W479 HydrophobicContact CG-CZ2 4.37Å; R271-W479 PolarHBondContact NE-O 3.25Å; A274-W479 HydrophobicContact CB-CH2 3.64Å; A274-W479 HydrophobicContact CB-CZ3 3.58Å; L357-W479 HydrophobicContact CD1-CH2 4.17Å; L357-W479 HydrophobicContact CD1-CZ3 4.07Å; L452-W479 HydrophobicContact CB-CB 3.95Å; L452-W479 HydrophobicContact CB-CG 4.45Å; F453-W479 HydrophobicContact CB-CG 4.48Å; F453-W479 AromaticContact CD2-CD2 3.96Å; F453-W479 HydrophobicContact CD2-CD2 3.96Å; F453-W479 AromaticContact CD2-CE2 3.39Å; F453-W479 HydrophobicContact CD2-CE3 4.32Å; F453-W479 AromaticContact CD2-CH2 3.69Å; F453-W479 HydrophobicContact CD2-CH2 3.69Å; F453-W479 AromaticContact CD2-CZ2 3.27Å; F453-W479 HydrophobicContact CD2-CZ2 3.27Å; F453-W479 HydrophobicContact CD2-CZ3 4.19Å; F453-W479 AromaticContact CD2-NE1 3.74Å; F453-W479 AromaticContact CE2-CH2 3.67Å; F453-W479 HydrophobicContact CE2-CH2 3.67Å; F453-W479 AromaticContact CE2-CZ2 3.61Å; F453-W479 HydrophobicContact CE2-CZ2 3.61Å; F453-W479 HydrophobicContact CE2-CZ3 4.32Å; F453-W479 HydrophobicContact CG-CZ2 4.33Å; F456-W479 HydrophobicContact CB-CB 4.35Å; F456-W479 HydrophobicContact CB-CD2 4.48Å; F456-W479 HydrophobicContact CB-CE3 4.1Å; F456-W479 AromaticContact CD1-CE3 3.94Å; F456-W479 HydrophobicContact CD1-CE3 3.94Å; F456-W479 AromaticContact CD1-CZ3 3.94Å; F456-W479 HydrophobicContact CD1-CZ3 3.94Å; F456-W479 AromaticContact CD2-CE3 3.61Å; F456-W479 HydrophobicContact CD2-CE3 3.61Å; F456-W479 HydrophobicContact CD2-CZ3 4.27Å; F456-W479 HydrophobicContact CE1-CE3 4.27Å; F456-W479 AromaticContact CE1-CZ3 3.98Å; F456-W479 HydrophobicContact CE1-CZ3 3.98Å; F456-W479 AromaticContact CE2-CE3 3.93Å; F456-W479 HydrophobicContact CE2-CE3 3.93Å; F456-W479 HydrophobicContact CE2-CZ3 4.27Å; F456-W479 HydrophobicContact CG-CD2 4.43Å; F456-W479 AromaticContact CG-CE3 3.61Å; F456-W479 HydrophobicContact CG-CE3 3.61Å; F456-W479 HydrophobicContact CG-CZ3 4.1Å; F456-W479 HydrophobicContact CZ-CE3 4.26Å; F456-W479 HydrophobicContact CZ-CZ3 4.14Å; H477-W479 WeakPolarHBondContact ND1-CB 3.48Å; H477-W479 PolarHBondContact ND1-N 3.19Å; H477-W479 VanDerWaalsContact ND1-N 3.2Å; H477-W479 PolarHBondContact O-N 2.77Å
480	L	93.9	Very high	76	Confident	21 Å²	21	97.4 Å²	97.4	11%	0.11	47%	0.466	C	S	.	.	H	α-helix	trans	-83.5	-33.5	177.5	-75.3	-167.9	0	0	0	113	R271 A274 L278 F456 A474 H477 K478 R482	R271-L480 HydrophobicContact CG-CD2 3.57Å; A274-L480 HydrophobicContact CB-CD2 4.18Å; L278-L480 HydrophobicContact CD1-CD1 3.28Å; F456-L480 HydrophobicContact CE2-CD1 4.24Å; F456-L480 HydrophobicContact CE2-CG 4.23Å; A474-L480 WeakPolarHBondContact O-CD1 3.26Å; H477-L480 PolarHBondContact O-N 3.26Å; K478-L480 VanDerWaalsContact C-N 3.3Å; K478-L480 PolarHBondContact O-N 3.35Å; L480-R482 VanDerWaalsContact C-N 3.26Å; L480-R482 PolarHBondContact O-N 2.93Å
481	R	85.6	Confident	73.4	Confident	189 Å²	189	99 Å²	99	71%	0.713	49%	0.49	S	S	*	.	H	α-helix	trans	-72	-14.1	-180	-70.4	-171	71.1	-177.6	2.9	114.4	K476 H477 K478 R483	K476-R481 VanDerWaalsContact O-CD 3.23Å; K476-R481 WeakPolarHBondContact O-CD 3.4Å; H477-R481 PolarHBondContact O-N 3.03Å; K478-R481 PolarHBondContact O-N 3.19Å; R481-R483 PolarHBondContact O-N 3.45Å
482	R	72.1	Confident	70.8	Confident	153 Å²	153	107 Å²	107	58%	0.577	53%	0.532	S	S	*	.	S	Bend	trans	-61.9	104.2	176.5	-147.4	173.9	-173.4	170.9	3.1	108.1	D450 K478 L480 L484	D450-R482 IonicContact OD2-NH1 3.7Å; K478-R482 PolarHBondContact O-N 3.46Å; L480-R482 VanDerWaalsContact C-N 3.26Å; L480-R482 PolarHBondContact O-N 2.93Å; R482-L484 PolarHBondContact O-N 3.27Å
483	R	56.2	Low	68.3	Low	212 Å²	212	114.5 Å²	114.5	80%	0.8	56%	0.561	S	S	*	*			trans	-43.5	124.6	-169	-72.2	-176.7	177.1	176.2	-0.7	111.1	R481	R481-R483 PolarHBondContact O-N 3.45Å
484	L	53.3	Low	65.5	Low	87 Å²	87	114.1 Å²	114.1	46%	0.455	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-56.4	137.5	151.8	-71.7	164.6	0	0	0	106.2	K272 R482 N486	K272-L484 HydrophobicContact CG-CD2 4.36Å; R482-L484 PolarHBondContact O-N 3.27Å; L484-N486 PolarHBondContact O-N 3.19Å
485	P	42.1	Very low	62.8	Low	102 Å²	102	123.1 Å²	123.1	66%	0.662	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-50.6	129.4	179.7	-23.3	30.9	0	0	0	109.6
486	N	40.8	Very low	59.6	Low	114 Å²	114	125.2 Å²	125.2	61%	0.61	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-59.2	140	168	-73.6	-18.5	0	0	0	107.2	L484	L484-N486 PolarHBondContact O-N 3.19Å
487	P	39.1	Very low	56.6	Low	105 Å²	105	121.3 Å²	121.3	68%	0.682	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-54.4	144.4	164.4	24.5	-30.8	0	0	0	108.4	R489	P487-R489 PolarHBondContact O-N 3.16Å; P487-R489 VanDerWaalsContact O-N 3.16Å
488	P	44.7	Very low	53.9	Low	115 Å²	115	129.5 Å²	129.5	75%	0.747	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-52.7	127.7	176.7	21	-29.8	0	0	0	108.2	D490	P488-D490 PolarHBondContact O-N 3.08Å
489	R	46.3	Very low	51.1	Low	239 Å²	239	126.1 Å²	126.1	90%	0.902	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-65.4	116.5	167.1	-75.8	-177	165.9	-172.8	-6.2	105.2	P487 G491	P487-R489 PolarHBondContact O-N 3.16Å; P487-R489 VanDerWaalsContact O-N 3.16Å; R489-G491 PolarHBondContact O-N 3.19Å; R489-G491 VanDerWaalsContact O-N 3.08Å
490	D	44.5	Very low	48.5	Very low	149 Å²	149	132.9 Å²	132.9	80%	0.797	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-51.9	120	167.9	-71.5	-39.4	0	0	0	107.4	P488 L492	P488-D490 PolarHBondContact O-N 3.08Å; D490-L492 PolarHBondContact O-N 3.37Å
491	G	44.2	Very low	45.9	Very low	74 Å²	74	140.3 Å²	140.3	76%	0.763	77%	0.766	S	S	*	*			trans	-65	98	178.1	0	0	0	0	0	109.3	R489 E493	R489-G491 PolarHBondContact O-N 3.19Å; R489-G491 VanDerWaalsContact O-N 3.08Å; G491-E493 PolarHBondContact O-N 2.94Å
492	L	42.8	Very low	43.8	Very low	173 Å²	173	143.9 Å²	143.9	91%	0.906	79%	0.79	S	S	*	*			trans	-84.7	73.5	145.7	-99.4	87.9	0	0	0	107.5	D490	D490-L492 PolarHBondContact O-N 3.37Å
493	E	47.2	Very low	42.4	Very low	191 Å²	191	143.4 Å²	143.4	89%	0.893	80%	0.801	S	S	*	*			trans	-106.3	99.7	148.6	-83	-172.6	170.6	0	0	106.4	G491	G491-E493 PolarHBondContact O-N 2.94Å
494	S	39.4	Very low	41.7	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	80%	0.801	S	S	*	*			trans	-167.2	106.9	163.3	173.3	0	0	0	0	110.5
495	M	40.5	Very low	41.1	Very low	190 Å²	190	142.7 Å²	142.7	94%	0.936	82%	0.82	S	S	*	*			trans	79.6	122.3	139.5	-63.8	-108.7	-121.2	0	0	120.9
496	G	31.9	Very low	41	Very low	85 Å²	85	145.1 Å²	145.1	88%	0.876	83%	0.83	S	S	*	*			trans	126	112.3	163.8	0	0	0	0	0	109.8
497	G	32.2	Very low	41	Very low	77 Å²	77	147.1 Å²	147.1	79%	0.794	84%	0.843	S	S	*	*			cis	152.6	138.8	19.4	0	0	0	0	0	105.1
498	L	41.6	Very low	41.2	Very low	185 Å²	185	149.9 Å²	149.9	97%	0.969	85%	0.854	S	S	*	*			trans	-53.3	142	178.8	-70	129	0	0	0	113.2
499	A	37.3	Very low	40.9	Very low	86 Å²	86	152.4 Å²	152.4	71%	0.711	86%	0.862	S	S	*	*				175.9	119	128.8	0	0	0	0	0	111.7
500	D	43.5	Very low	40.5	Very low	142 Å²	142	145.7 Å²	145.7	76%	0.759	86%	0.859	S	S	*	*			trans	44.5	120.3	134.7	-52.8	-25.9	0	0	0	121.5
501	H	39.6	Very low	40.2	Very low	177 Å²	177	145.4 Å²	145.4	82%	0.819	86%	0.864	S	S	*	*				-176.1	124.4	99.3	-99.2	-71.7	0	0	0	111.6
502	E	41.7	Very low	39.8	Very low	264 Å²	264	151.9 Å²	151.9	100%	1.234	87%	0.873	S	S	*	*			trans	46.9	0	160.1	-67.2	-174.1	154.2	0	0	121.8

Retrieved 502 of 502 residues in 360 ms (Link to these results)

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