A0A061ACN3_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 A0A061ACN3, Species CAEEL (Caenorhabditis elegans), Gene mbk-2, Length 523 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	32.3	Very low	27.6	Very low	119 Å²	119	115.5 Å²	115.5	59%	0.586	68%	0.684	S	S	*	*				0	78.3	0	-173	164.2	-162.2	0	0	109.5	L3 Y327	M1-L3 PolarHBondContact O-N 3.48Å; M1-Y327 HydrophobicContact CB-CD1 3.99Å; M1-Y327 HydrophobicContact CE-CD1 4.14Å; M1-Y327 HydrophobicContact CE-CE1 4.25Å; M1-Y327 HydrophobicContact CG-CD1 3.61Å; M1-Y327 HydrophobicContact CG-CE1 3.87Å; M1-Y327 HydrophobicContact SD-CD1 4.16Å
2	T	25.8	Very low	27.7	Very low	29 Å²	29	126.8 Å²	126.8	18%	0.178	71%	0.706	C	S	.	*			trans	-82.9	104.5	174.8	20.2	0	0	0	0	108.7	F178	T2-F178 HydrophobicContact CG2-CE2 3.91Å
3	L	24.1	Very low	27.8	Very low	134 Å²	134	130.8 Å²	130.8	70%	0.702	72%	0.72	S	S	*	*			trans	-83.9	107.6	162.2	-74.2	169.9	0	0	0	107.2	M1	M1-L3 PolarHBondContact O-N 3.48Å
4	F	32.1	Very low	27.6	Very low	131 Å²	131	126.7 Å²	126.7	58%	0.575	72%	0.723	S	S	*	*			trans	-132.2	118.7	164.4	-95	-73.6	0	0	0	109.1
5	E	24.7	Very low	27.6	Very low	137 Å²	137	133.6 Å²	133.6	64%	0.64	74%	0.735	S	S	*	*			trans	-94	142.3	143.2	-65.5	-153.1	112.9	0	0	107.9	S7 R429	E5-S7 PolarHBondContact O-N 3.33Å; E5-R429 IonicContact OE1-CZ 3.8Å; E5-R429 IonicContact OE1-NH2 3.68Å; E5-R429 PolarHBondContact OE1-NH2 2.98Å
6	P	29.2	Very low	27.6	Very low	115 Å²	115	141 Å²	141	75%	0.747	75%	0.748	S	S	*	*			trans	-74	125.1	169.1	29.8	-31.6	0	0	0	109.8	T8	P6-T8 PolarHBondContact O-N 3.09Å; P6-T8 VanDerWaalsContact O-N 3.09Å
7	S	24.9	Very low	27.5	Very low	119 Å²	119	137.1 Å²	137.1	83%	0.832	75%	0.749	S	S	*	*			trans	-63.9	107.8	171.8	56.3	0	0	0	0	110.8	E5 S9	E5-S7 PolarHBondContact O-N 3.33Å; S7-S9 PolarHBondContact O-N 3.26Å
8	T	28.5	Very low	27.5	Very low	132 Å²	132	136.1 Å²	136.1	81%	0.81	75%	0.754	S	S	*	*			trans	-75.5	102.5	171.2	47.8	0	0	0	0	110.4	P6 G10	P6-T8 PolarHBondContact O-N 3.09Å; P6-T8 VanDerWaalsContact O-N 3.09Å; T8-G10 PolarHBondContact O-N 2.96Å; T8-G10 VanDerWaalsContact O-N 3.17Å
9	S	28.1	Very low	27.5	Very low	118 Å²	118	134.2 Å²	134.2	83%	0.825	75%	0.751	S	S	*	*			trans	-69.6	105.7	163.5	41.2	0	0	0	0	109.2	S7 N11	S7-S9 PolarHBondContact O-N 3.26Å; S9-N11 PolarHBondContact O-N 3Å
10	G	27.3	Very low	27.5	Very low	74 Å²	74	135 Å²	135	76%	0.763	75%	0.753	S	S	*	*			trans	-74	105.2	-179.4	0	0	0	0	0	112	T8	T8-G10 PolarHBondContact O-N 2.96Å; T8-G10 VanDerWaalsContact O-N 3.17Å
11	N	26.9	Very low	27.6	Very low	163 Å²	163	133.1 Å²	133.1	87%	0.872	75%	0.75	S	S	*	*			trans	-88.3	105.5	164.3	-110.7	3.5	0	0	0	109.4	S9 M13	S9-N11 PolarHBondContact O-N 3Å; N11-M13 PolarHBondContact O-N 3.34Å
12	R	28.9	Very low	27.4	Very low	250 Å²	250	133 Å²	133	94%	0.943	76%	0.76	S	S	*	*			trans	-68.9	104.3	166.6	-78.3	-178.1	172.6	-178.1	-2.3	109.1	G14	R12-G14 PolarHBondContact O-N 3.25Å
13	M	29	Very low	27.5	Very low	179 Å²	179	137.1 Å²	137.1	88%	0.882	79%	0.79	S	S	*	*			trans	-78.3	113.5	155.7	-87.6	-173.6	165.2	0	0	108.5	N11 Y15	N11-M13 PolarHBondContact O-N 3.34Å; M13-Y15 PolarHBondContact O-N 2.92Å
14	G	25.1	Very low	27.7	Very low	74 Å²	74	134 Å²	134	76%	0.763	79%	0.791	S	S	*	*			trans	-77	117.3	176.1	0	0	0	0	0	111.1	R12	R12-G14 PolarHBondContact O-N 3.25Å
15	Y	27	Very low	27.6	Very low	230 Å²	230	135.2 Å²	135.2	90%	0.902	81%	0.809	S	S	*	*			trans	-76.5	119.9	161.4	-90.4	-95.5	0	0	0	109.1	M13 G17	M13-Y15 PolarHBondContact O-N 2.92Å; Y15-G17 PolarHBondContact O-N 3.14Å
16	R	27.3	Very low	27.7	Very low	252 Å²	252	131.9 Å²	131.9	95%	0.951	81%	0.811	S	S	*	*			trans	-74.4	110.3	164.3	-80.2	-177.2	169.4	-172.1	-3.6	108.3
17	G	27	Very low	27.7	Very low	74 Å²	74	132.5 Å²	132.5	76%	0.763	82%	0.818	S	S	*	*			trans	-103.9	126.6	161.9	0	0	0	0	0	109.1	Y15	Y15-G17 PolarHBondContact O-N 3.14Å
18	S	27.7	Very low	27.8	Very low	119 Å²	119	131 Å²	131	83%	0.832	82%	0.822	S	S	*	*			trans	-80.2	147.7	-179.9	-61.2	0	0	0	0	112.2
19	S	27.4	Very low	27.7	Very low	100 Å²	100	128.6 Å²	128.6	70%	0.699	82%	0.823	S	S	*	*			trans	-30.5	140.8	170.7	51.2	0	0	0	0	118.3
20	N	27.4	Very low	27.8	Very low	150 Å²	150	129.3 Å²	129.3	80%	0.802	83%	0.828	S	S	*	*				-158.6	130.8	111.3	-108.9	-4.6	0	0	0	115.5
21	S	28.1	Very low	27.8	Very low	97 Å²	97	129.7 Å²	129.7	68%	0.678	83%	0.832	S	S	*	*			trans	29.3	153.4	144.4	47.3	0	0	0	0	125.4
22	S	28.4	Very low	27.8	Very low	115 Å²	115	127.1 Å²	127.1	80%	0.804	83%	0.827	S	S	*	*			trans	85.7	145.5	164	78.4	0	0	0	0	117.8
23	S	28.4	Very low	27.8	Very low	116 Å²	116	123.5 Å²	123.5	81%	0.811	83%	0.825	S	S	*	*			cis	-174.3	151.1	-28.1	47.6	0	0	0	0	109.8
24	G	28.1	Very low	27.7	Very low	69 Å²	69	122.7 Å²	122.7	71%	0.711	82%	0.821	S	S	*	*			trans	108.2	114.5	176.5	0	0	0	0	0	112.3
25	V	29.3	Very low	27.9	Very low	157 Å²	157	125.6 Å²	125.6	95%	0.952	82%	0.824	S	S	*	*			cis	79	122.6	41.7	-172.4	0	0	0	0	113.3
26	G	27.8	Very low	27.9	Very low	67 Å²	67	123.5 Å²	123.5	69%	0.691	82%	0.823	S	S	*	*			trans	118.1	89.1	178	0	0	0	0	0	112.3
27	S	28.7	Very low	27.8	Very low	127 Å²	127	116.8 Å²	116.8	89%	0.888	82%	0.815	S	S	*	*				88.2	107.4	56	-62.6	0	0	0	0	114.9
28	G	27.1	Very low	27.9	Very low	89 Å²	89	121.5 Å²	121.5	92%	0.918	82%	0.821	S	S	*	*			trans	88.9	153.5	144.7	0	0	0	0	0	119.1
29	G	27.2	Very low	27.8	Very low	81 Å²	81	119.5 Å²	119.5	84%	0.835	82%	0.818	S	S	*	*			trans	129.6	76.5	158.6	0	0	0	0	0	116.8
30	S	29	Very low	27.7	Very low	133 Å²	133	118.4 Å²	118.4	93%	0.93	82%	0.823	S	S	*	*			trans	-70.2	148.9	166.6	-50.1	0	0	0	0	111.7
31	G	27.5	Very low	28.4	Very low	82 Å²	82	116.6 Å²	116.6	85%	0.845	82%	0.819	S	S	*	*			trans	-171.8	92.6	173.5	0	0	0	0	0	113.8
32	S	27.7	Very low	28.4	Very low	109 Å²	109	119.1 Å²	119.1	76%	0.762	83%	0.825	S	S	*	*			trans	-100.3	140.6	169.6	179	0	0	0	0	109.7
33	L	28	Very low	28.5	Very low	174 Å²	174	123.1 Å²	123.1	91%	0.911	83%	0.828	S	S	*	*			trans	-157	130.5	159.7	-112.2	152.7	0	0	0	111.5
34	M	27.2	Very low	28.4	Very low	162 Å²	162	126.1 Å²	126.1	80%	0.798	83%	0.829	S	S	*	*			trans	-94.4	154.5	173.1	-65.4	-178.2	171.6	0	0	111
35	T	28.8	Very low	28.3	Very low	135 Å²	135	131.2 Å²	131.2	83%	0.828	84%	0.839	S	S	*	*			trans	-170.7	105.5	143.5	23.8	0	0	0	0	107.2
36	Q	27.4	Very low	28.1	Very low	185 Å²	185	128.7 Å²	128.7	86%	0.864	83%	0.828	S	S	*	*				67	94	87.9	-71.7	-161.4	5	0	0	117
37	S	26.2	Very low	28	Very low	112 Å²	112	130.6 Å²	130.6	78%	0.783	84%	0.837	S	S	*	*				22.2	123.1	129.7	173	0	0	0	0	121.4
38	I	27.7	Very low	27.8	Very low	173 Å²	173	129.6 Å²	129.6	89%	0.887	83%	0.831	S	S	*	*			trans	-176.8	149.5	131.5	-97	152.5	0	0	0	108.8
39	G	25.7	Very low	27.8	Very low	76 Å²	76	134.7 Å²	134.7	78%	0.784	83%	0.83	S	S	*	*			cis	150.8	83.5	-13.6	0	0	0	0	0	115.9
40	G	25.3	Very low	27.8	Very low	77 Å²	77	135.8 Å²	135.8	79%	0.794	83%	0.825	S	S	*	*			trans	143.9	167.4	169.6	0	0	0	0	0	118
41	P	43.2	Very low	27.5	Very low	113 Å²	113	135.4 Å²	135.4	73%	0.734	82%	0.817	S	S	*	*				-135	-169.4	-124.9	42.5	-27.3	0	0	0	118.1
42	N	27.5	Very low	27.4	Very low	150 Å²	150	139.6 Å²	139.6	80%	0.802	82%	0.819	S	S	*	*			trans	90	147.8	172	-55.7	-40.1	0	0	0	116.3
43	K	29.7	Very low	27.2	Very low	198 Å²	198	141.8 Å²	141.8	86%	0.861	82%	0.823	S	S	*	*			cis	-138.1	157.3	20.7	-73.6	177.6	175.8	178	0	114.8
44	H	26.3	Very low	27	Very low	180 Å²	180	140.2 Å²	140.2	83%	0.833	82%	0.821	S	S	*	*			trans	-62.4	155.7	160.6	-98.9	-109.4	0	0	0	113.4
45	L	26.9	Very low	26.8	Very low	175 Å²	175	137.4 Å²	137.4	92%	0.916	82%	0.823	S	S	*	*			trans	-144.6	136.4	142.7	-108.4	168.6	0	0	0	109.9
46	S	24.6	Very low	26.6	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	82%	0.823	S	S	*	*			trans	-114.7	149.1	-172	52.4	0	0	0	0	111.9
47	A	26.6	Very low	26.4	Very low	107 Å²	107	134 Å²	134	88%	0.884	82%	0.82	S	S	*	*			trans	-144.7	127.3	154	0	0	0	0	0	110.1
48	S	24.5	Very low	26.4	Very low	107 Å²	107	137 Å²	137	75%	0.748	82%	0.821	S	S	*	*			trans	-99.2	153.6	-174.8	49.7	0	0	0	0	112.1
49	H	27	Very low	26.2	Very low	195 Å²	195	135 Å²	135	90%	0.903	81%	0.812	S	S	*	*			trans	-139.1	146.4	146.5	-102.5	-71.6	0	0	0	112.4
50	S	25.9	Very low	26.2	Very low	104 Å²	104	141 Å²	141	73%	0.727	82%	0.822	S	S	*	*			trans	-76.4	144.3	-158.8	46.5	0	0	0	0	116.2
51	T	23.9	Very low	26.2	Very low	126 Å²	126	145.7 Å²	145.7	77%	0.773	83%	0.826	S	S	*	*			trans	-70.3	147	157.3	29.1	0	0	0	0	112.1
52	L	25.3	Very low	25.4	Very low	169 Å²	169	149.7 Å²	149.7	89%	0.885	83%	0.834	S	S	*	*			trans	-132.5	112.9	153.6	-92.3	169	0	0	0	108
53	N	23.7	Very low	25.2	Very low	156 Å²	156	148.2 Å²	148.2	83%	0.834	84%	0.835	S	S	*	*			trans	-95.4	131	171.2	-93.7	-10.3	0	0	0	108.9
54	T	24.5	Very low	25	Very low	141 Å²	141	147.7 Å²	147.7	87%	0.865	83%	0.833	S	S	*	*			trans	-125.9	112.7	154.5	47.3	0	0	0	0	107.7
55	A	22.4	Very low	25.2	Very low	103 Å²	103	145.4 Å²	145.4	85%	0.851	83%	0.826	S	S	*	*			trans	-83.8	137.2	178.1	0	0	0	0	0	110.6
56	S	23.7	Very low	25.2	Very low	118 Å²	118	142.5 Å²	142.5	83%	0.825	82%	0.818	S	S	*	*			trans	-138.3	109.9	161.4	59.1	0	0	0	0	108.5
57	T	23.6	Very low	25.3	Very low	131 Å²	131	146.7 Å²	146.7	80%	0.804	82%	0.823	S	S	*	*			trans	-71	131.1	177.8	44.8	0	0	0	0	111.5
58	H	26.4	Very low	25.6	Very low	175 Å²	175	143.9 Å²	143.9	81%	0.81	80%	0.796	S	S	*	*			trans	-156.4	122.6	148.2	-107.3	-67.2	0	0	0	112.2
59	D	24.5	Very low	25.8	Very low	131 Å²	131	144.5 Å²	144.5	70%	0.701	80%	0.798	S	S	*	*			trans	30.3	122	154	-55.8	-52.9	0	0	0	122.3	M61	D59-M61 PolarHBondContact O-N 3.34Å
60	M	25.5	Very low	26	Very low	200 Å²	200	140 Å²	140	99%	0.985	79%	0.789	S	S	*	*			trans	-71.1	119.9	158.7	-62.2	175.6	113.1	0	0	110.3
61	M	24.7	Very low	26.6	Very low	177 Å²	177	141 Å²	141	87%	0.872	79%	0.786	S	S	*	*			trans	-116.8	136.7	160.5	-79.7	-161.4	172.7	0	0	111.3	D59 S63	D59-M61 PolarHBondContact O-N 3.34Å; M61-S63 PolarHBondContact O-N 2.95Å; M61-S63 VanDerWaalsContact O-N 3.09Å
62	H	27	Very low	27.1	Very low	196 Å²	196	144 Å²	144	91%	0.907	79%	0.791	S	S	*	*			trans	-58.1	110	-179.8	-79.4	-84.4	0	0	0	112.3	K64	H62-K64 PolarHBondContact O-N 2.94Å
63	S	22.9	Very low	27.2	Very low	119 Å²	119	140 Å²	140	83%	0.832	78%	0.777	S	S	*	*			trans	-72.3	110.9	171.1	-175.4	0	0	0	0	110.5	M61	M61-S63 PolarHBondContact O-N 2.95Å; M61-S63 VanDerWaalsContact O-N 3.09Å
64	K	25.1	Very low	27.5	Very low	187 Å²	187	138.2 Å²	138.2	81%	0.813	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-69.4	141.2	169.7	-68.8	177.1	179.5	173.9	0	109.5	H62	H62-K64 PolarHBondContact O-N 2.94Å
65	I	31	Very low	27.7	Very low	132 Å²	132	137.7 Å²	137.7	68%	0.677	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-52.1	128.6	171.7	-59.8	171.4	0	0	0	108.7	K67	I65-K67 PolarHBondContact O-N 3.42Å
66	P	27.2	Very low	28.2	Very low	115 Å²	115	142.1 Å²	142.1	75%	0.747	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-63	127.2	176.9	-20.4	31.9	0	0	0	110.1	S68	P66-S68 PolarHBondContact O-N 3.19Å
67	K	27.1	Very low	28.5	Very low	191 Å²	191	141.4 Å²	141.4	83%	0.83	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-57.8	129.7	166.5	-68.6	-177.4	176.3	-176.3	0	108.2	I65	I65-K67 PolarHBondContact O-N 3.42Å
68	S	31.9	Very low	28.7	Very low	48 Å²	48	144.5 Å²	144.5	34%	0.336	76%	0.764	S	S	.	*	P	Polyproline II helix	trans	-55.2	135.3	165.1	41.1	0	0	0	0	109	P66 S70	P66-S68 PolarHBondContact O-N 3.19Å; S68-S70 PolarHBondContact O-N 2.96Å
69	P	29	Very low	28.9	Very low	120 Å²	120	142.3 Å²	142.3	78%	0.779	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-57.6	135.2	180	23.3	-32.4	0	0	0	110
70	S	32	Very low	29.2	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-63.2	156.4	-177.5	39.9	0	0	0	0	112.6	S68 E72	S68-S70 PolarHBondContact O-N 2.96Å; S70-E72 VanDerWaalsContact C-N 3.31Å; S70-E72 PolarHBondContact O-N 2.95Å
71	N	36.8	Very low	29.4	Very low	125 Å²	125	137.6 Å²	137.6	67%	0.668	76%	0.76	S	S	*	*	S	Bend	trans	-58.6	83.2	172.2	-76.3	-50.7	0	0	0	112.5	T124	N71-T124 PolarHBondContact ND2-OG1 2.83Å; N71-T124 VanDerWaalsContact ND2-OG1 3.08Å
72	E	35	Very low	29.8	Very low	187 Å²	187	135.2 Å²	135.2	87%	0.874	76%	0.761	S	S	*	*			trans	-138.8	77.5	156.1	-77.5	-151.4	147.2	0	0	110.5	S70	S70-E72 VanDerWaalsContact C-N 3.31Å; S70-E72 PolarHBondContact O-N 2.95Å
73	S	27.3	Very low	29.8	Very low	86 Å²	86	129.5 Å²	129.5	60%	0.601	76%	0.755	S	S	*	*	S	Bend	trans	-138.3	100.3	162.5	61.8	0	0	0	0	110.5
74	L	29.7	Very low	30.1	Very low	119 Å²	119	127.5 Å²	127.5	62%	0.623	75%	0.753	S	S	*	*			trans	63.5	79.7	157.2	-60.1	166.4	0	0	0	116.9	R76	L74-R76 HydrophobicContact CD2-CG 4.23Å; L74-R76 PolarHBondContact O-N 3.13Å
75	S	29.5	Very low	30.3	Very low	129 Å²	129	124.7 Å²	124.7	90%	0.902	76%	0.757	S	S	*	*			trans	-62.5	107.1	139.3	43.6	0	0	0	0	108.8
76	R	32.4	Very low	30.5	Very low	197 Å²	197	128.1 Å²	128.1	74%	0.743	77%	0.77	S	S	*	*			trans	-127.2	132.3	167.3	-79.1	-167.6	174.5	-172	0	110.9	L74	L74-R76 HydrophobicContact CD2-CG 4.23Å; L74-R76 PolarHBondContact O-N 3.13Å
77	S	29.8	Very low	30.6	Very low	103 Å²	103	126 Å²	126	72%	0.72	77%	0.768	S	S	*	*			trans	-66.1	131.6	-174.8	38.8	0	0	0	0	112.4	T79	S77-T79 PolarHBondContact O-N 3.39Å
78	H	28.4	Very low	31	Very low	195 Å²	195	120.8 Å²	120.8	90%	0.903	77%	0.769	S	S	*	*			trans	-75.6	99.9	158.5	-72.9	-72.3	0	0	0	108.8	S80	H78-S80 PolarHBondContact O-N 3.12Å
79	T	29.6	Very low	31.1	Very low	130 Å²	130	127 Å²	127	80%	0.798	79%	0.793	S	S	*	*			trans	-85.6	89.8	170.2	52	0	0	0	0	109.8	S77	S77-T79 PolarHBondContact O-N 3.39Å
80	S	31.2	Very low	31.4	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-78.9	122.1	164.5	52.5	0	0	0	0	109.6	H78	H78-S80 PolarHBondContact O-N 3.12Å
81	S	30.5	Very low	31.5	Very low	120 Å²	120	129.2 Å²	129.2	84%	0.839	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-61.1	132.1	178.3	51.5	0	0	0	0	112.3
82	S	31.8	Very low	31.6	Very low	127 Å²	127	130.3 Å²	130.3	89%	0.888	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.2	125.2	179.7	51.6	0	0	0	0	113.2
83	G	28.2	Very low	32	Very low	76 Å²	76	127 Å²	127	78%	0.784	80%	0.801	S	S	*	*			trans	-136.3	117	158.6	0	0	0	0	0	107.8
84	G	28.5	Very low	32.9	Very low	76 Å²	76	125.7 Å²	125.7	78%	0.784	80%	0.801	S	S	*	*			trans	-85.1	143.9	-165.9	0	0	0	0	0	114.5
85	S	29.2	Very low	34.3	Very low	128 Å²	128	124.4 Å²	124.4	90%	0.895	80%	0.803	S	S	*	*			trans	-164.4	143.7	146.2	-81.7	0	0	0	0	109.2
86	Q	35.7	Very low	36.8	Very low	205 Å²	205	121 Å²	121	96%	0.958	77%	0.774	S	S	*	*			trans	-73	139.7	-177.2	-65.3	178.9	-3.9	0	0	111.3
87	G	28.9	Very low	39.5	Very low	69 Å²	69	116 Å²	116	71%	0.711	77%	0.769	S	S	*	*			trans	176.9	103.1	174.7	0	0	0	0	0	110.8	H89	G87-H89 PolarHBondContact O-N 3.11Å
88	G	36	Very low	42.5	Very low	82 Å²	82	111.4 Å²	111.4	85%	0.845	74%	0.738	S	S	*	*			trans	-74	105.6	-175.6	0	0	0	0	0	112.7
89	H	32.7	Very low	45.8	Very low	180 Å²	180	106.2 Å²	106.2	83%	0.833	71%	0.713	S	S	*	*			trans	-126.9	121.9	162.2	-86.4	-51.7	0	0	0	111.2	G87 S91	G87-H89 PolarHBondContact O-N 3.11Å; H89-S91 PolarHBondContact O-N 3.21Å
90	N	36.3	Very low	49	Very low	163 Å²	163	106.3 Å²	106.3	87%	0.872	70%	0.699	S	S	*	*			trans	-79.3	95.2	-175	-163.8	8.9	0	0	0	110.4
91	S	34.7	Very low	52.1	Low	105 Å²	105	101.5 Å²	101.5	73%	0.734	67%	0.665	S	S	*	*			trans	-101.4	81	179.2	47.8	0	0	0	0	111.7	H89 S93	H89-S91 PolarHBondContact O-N 3.21Å; S91-S93 PolarHBondContact O-N 2.75Å
92	N	38	Very low	55.3	Low	147 Å²	147	99.4 Å²	99.4	79%	0.786	64%	0.642	S	S	*	*			trans	-75	82.8	-179.2	-164.6	14.6	0	0	0	112	G94	N92-G94 PolarHBondContact O-N 3.04Å
93	S	44.7	Very low	58.4	Low	117 Å²	117	96.2 Å²	96.2	82%	0.818	62%	0.615	S	S	*	*			trans	-81.8	61.8	174.5	50.5	0	0	0	0	112	S91 S95	S91-S93 PolarHBondContact O-N 2.75Å; S93-S95 PolarHBondContact O-N 3.37Å; S93-S95 VanDerWaalsContact O-N 3.08Å
94	G	45.7	Very low	61.7	Low	59 Å²	59	92.6 Å²	92.6	61%	0.608	58%	0.578	S	S	*	*			trans	-64.3	106.2	179.7	0	0	0	0	0	112.7	N92 N96	N92-G94 PolarHBondContact O-N 3.04Å; G94-N96 PolarHBondContact O-N 3.3Å
95	S	59.5	Low	65	Low	93 Å²	93	90.7 Å²	90.7	65%	0.65	55%	0.551	S	S	*	*			trans	-64	127	167.9	59.4	0	0	0	0	110	S93 S97	S93-S95 PolarHBondContact O-N 3.37Å; S93-S95 VanDerWaalsContact O-N 3.08Å; S95-S97 PolarHBondContact O-N 2.86Å
96	N	80.3	Confident	68.2	Low	58 Å²	58	92.7 Å²	92.7	31%	0.31	55%	0.546	S	S	.	.			trans	-58.3	120.8	173	179.1	2.8	0	0	0	109.3	G94 G98 F127 H187	G94-N96 PolarHBondContact O-N 3.3Å; N96-G98 VanDerWaalsContact C-N 3.32Å; N96-G98 PolarHBondContact O-N 3.45Å; N96-G98 PolarHBondContact OD1-N 3.36Å; N96-G98 VanDerWaalsContact OD1-N 3.16Å; N96-F127 VanDerWaalsContact O-CE1 3.31Å; N96-F127 WeakPolarHBondContact O-CE1 3.41Å; N96-H187 WeakPolarHBondContact CB-O 3.44Å; N96-H187 PolarHBondContact ND2-O 3.04Å; N96-H187 VanDerWaalsContact ND2-O 3.09Å
97	S	88.8	Confident	71.1	Confident	91 Å²	91	86.9 Å²	86.9	64%	0.636	52%	0.524	S	S	*	.			trans	-75.8	-19.4	-174.5	54.8	0	0	0	0	113.7	S95 R125	S95-S97 PolarHBondContact O-N 2.86Å; S97-R125 WeakPolarHBondContact O-CD 3.4Å; S97-R125 PolarHBondContact O-NH1 2.85Å
98	G	94	Very high	74.3	Confident	7 Å²	7	86.1 Å²	86.1	7%	0.072	50%	0.502	C	S	.	.			trans	69.3	148.2	-179	0	0	0	0	0	114	N96 R125 V126	N96-G98 VanDerWaalsContact C-N 3.32Å; N96-G98 PolarHBondContact O-N 3.45Å; N96-G98 PolarHBondContact OD1-N 3.36Å; N96-G98 VanDerWaalsContact OD1-N 3.16Å; G98-R125 PolarHBondContact O-NH1 2.65Å; G98-V126 CarbonylContact C-O 3.58Å; G98-V126 WeakPolarHBondContact CA-O 3.2Å
99	F	96.9	Very high	77.1	Confident	85 Å²	85	82.9 Å²	82.9	37%	0.373	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-69.7	154.5	174	-66.5	-89.9	0	0	0	110.9	D103 A104 F108 R125 V126	F99-D103 HydrophobicContact CB-CB 4.37Å; F99-D103 HydrophobicContact CD1-CB 4.05Å; F99-A104 HydrophobicContact CB-CB 3.94Å; F99-F108 HydrophobicContact CD2-CE2 4Å; F99-F108 AromaticContact CE2-CE2 3.86Å; F99-F108 HydrophobicContact CE2-CE2 3.86Å; F99-F108 HydrophobicContact CE2-CZ 4.04Å; F99-F108 HydrophobicContact CG-CE2 4.47Å; F99-F108 HydrophobicContact CZ-CE2 4.21Å; F99-F108 HydrophobicContact CZ-CZ 4.24Å; F99-R125 WeakPolarHBondContact O-CA 3.2Å; F99-V126 HydrophobicContact CB-CB 4.4Å; F99-V126 PolarHBondContact N-O 2.73Å; F99-V126 PolarHBondContact O-N 2.93Å
100	R	97.4	Very high	80.1	Confident	133 Å²	133	79 Å²	79	50%	0.502	47%	0.468	S	S	.	.			trans	-71.8	159.8	159	-58.3	171.4	51.2	177.7	-4.5	109.5	E102 D103 A104	R100-E102 VanDerWaalsContact C-N 3.25Å; R100-E102 WeakPolarHBondContact CB-OE2 3.49Å; R100-E102 IonicContact CZ-OE2 3.12Å; R100-E102 IonicContact NE-OE2 2.8Å; R100-E102 PolarHBondContact NE-OE2 3.19Å; R100-E102 IonicContact NH2-OE2 3.3Å; R100-E102 PolarHBondContact NH2-OE2 3.39Å; R100-E102 PolarHBondContact O-N 2.79Å; R100-D103 VanDerWaalsContact CB-OD2 3.23Å; R100-D103 WeakPolarHBondContact CB-OD2 3.33Å; R100-D103 WeakPolarHBondContact CG-OD2 3.44Å; R100-D103 PolarHBondContact N-OD2 3.33Å; R100-D103 PolarHBondContact O-N 2.73Å; R100-A104 VanDerWaalsContact O-CB 3.31Å; R100-A104 WeakPolarHBondContact O-CB 2.97Å; R100-A104 PolarHBondContact O-N 2.77Å
101	P	97.3	Very high	83	Confident	10 Å²	10	76.9 Å²	76.9	7%	0.065	45%	0.451	C	S	.	.	H	α-helix	trans	-55.5	-39.7	175.2	-29.6	39.4	0	0	0	113.4	A104 V105 Y121 Y123	P101-A104 PolarHBondContact O-N 3Å; P101-V105 WeakPolarHBondContact O-CG2 3.42Å; P101-V105 PolarHBondContact O-N 3.3Å; P101-Y121 HydrophobicContact CB-CD1 3.58Å; P101-Y121 HydrophobicContact CB-CE1 3.9Å; P101-Y121 HydrophobicContact CB-CG 4.3Å; P101-Y123 WeakPolarHBondContact CG-O 3.34Å
102	E	97.3	Very high	85.9	Confident	77 Å²	77	72.4 Å²	72.4	36%	0.36	42%	0.418	S	S	.	.	H	α-helix	trans	-60.7	-54.3	178	-59.6	74.2	-134.5	0	0	111.1	R100 A104 V105 Q106 Y121	R100-E102 VanDerWaalsContact C-N 3.25Å; R100-E102 WeakPolarHBondContact CB-OE2 3.49Å; R100-E102 IonicContact CZ-OE2 3.12Å; R100-E102 IonicContact NE-OE2 2.8Å; R100-E102 PolarHBondContact NE-OE2 3.19Å; R100-E102 IonicContact NH2-OE2 3.3Å; R100-E102 PolarHBondContact NH2-OE2 3.39Å; R100-E102 PolarHBondContact O-N 2.79Å; E102-A104 VanDerWaalsContact C-N 3.26Å; E102-A104 PolarHBondContact O-N 3.04Å; E102-V105 PolarHBondContact O-N 3.01Å; E102-Q106 PolarHBondContact O-N 3.24Å; E102-Y121 HydrophobicContact CG-CE1 4.31Å
103	D	97.1	Very high	88.7	Confident	60 Å²	60	66.4 Å²	66.4	32%	0.321	39%	0.387	S	S	.	.	H	α-helix	trans	-60.8	-37.5	178.8	-42.3	-35	0	0	0	111	F99 R100 Q106 T107	F99-D103 HydrophobicContact CB-CB 4.37Å; F99-D103 HydrophobicContact CD1-CB 4.05Å; R100-D103 VanDerWaalsContact CB-OD2 3.23Å; R100-D103 WeakPolarHBondContact CB-OD2 3.33Å; R100-D103 WeakPolarHBondContact CG-OD2 3.44Å; R100-D103 PolarHBondContact N-OD2 3.33Å; R100-D103 PolarHBondContact O-N 2.73Å; D103-Q106 PolarHBondContact O-N 2.79Å; D103-T107 VanDerWaalsContact O-CB 3.26Å; D103-T107 WeakPolarHBondContact O-CB 3.24Å; D103-T107 PolarHBondContact O-N 2.75Å; D103-T107 PolarHBondContact O-OG1 2.91Å
104	A	97.2	Very high	91	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-69.3	-39.5	178.9	0	0	0	0	0	112.5	F99 R100 P101 E102 F108 I120 V126	F99-A104 HydrophobicContact CB-CB 3.94Å; R100-A104 VanDerWaalsContact O-CB 3.31Å; R100-A104 WeakPolarHBondContact O-CB 2.97Å; R100-A104 PolarHBondContact O-N 2.77Å; P101-A104 PolarHBondContact O-N 3Å; E102-A104 VanDerWaalsContact C-N 3.26Å; E102-A104 PolarHBondContact O-N 3.04Å; A104-F108 HydrophobicContact CB-CD2 4.38Å; A104-F108 WeakPolarHBondContact O-CA 3.35Å; A104-F108 WeakPolarHBondContact O-CB 3.01Å; A104-F108 WeakPolarHBondContact O-CD2 3.1Å; A104-F108 PolarHBondContact O-N 3.04Å; A104-I120 HydrophobicContact CB-CD1 3.91Å; A104-V126 HydrophobicContact CB-CB 3.84Å; A104-V126 HydrophobicContact CB-CG1 3.76Å; A104-V126 HydrophobicContact CB-CG2 3.98Å
105	V	97.1	Very high	93.4	Very high	35 Å²	35	64.5 Å²	64.5	21%	0.212	36%	0.357	C	S	.	.	H	α-helix	trans	-68.2	-39.6	173.8	171.5	0	0	0	0	110.7	P101 E102 G109 L112 I120 Y121	P101-V105 WeakPolarHBondContact O-CG2 3.42Å; P101-V105 PolarHBondContact O-N 3.3Å; E102-V105 PolarHBondContact O-N 3.01Å; V105-G109 WeakPolarHBondContact O-CA 3.36Å; V105-G109 PolarHBondContact O-N 3.16Å; V105-L112 HydrophobicContact CG2-CD1 4.18Å; V105-I120 HydrophobicContact CG2-CD1 4.2Å; V105-I120 HydrophobicContact CG2-CG2 3.58Å; V105-Y121 HydrophobicContact CG2-CE2 4.21Å
106	Q	96.8	Very high	95.2	Very high	170 Å²	170	60 Å²	60	79%	0.794	33%	0.326	S	S	*	.	H	α-helix	trans	-62.9	-45.3	174	-172.2	176.5	3.1	0	0	111.9	E102 D103	E102-Q106 PolarHBondContact O-N 3.24Å; D103-Q106 PolarHBondContact O-N 2.79Å
107	T	96.4	Very high	95.8	Very high	83 Å²	83	61.6 Å²	61.6	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-75.4	-41.5	-176.4	-50.7	0	0	0	0	112.8	D103	D103-T107 VanDerWaalsContact O-CB 3.26Å; D103-T107 WeakPolarHBondContact O-CB 3.24Å; D103-T107 PolarHBondContact O-N 2.75Å; D103-T107 PolarHBondContact O-OG1 2.91Å
108	F	96.5	Very high	96.1	Very high	53 Å²	53	62.4 Å²	62.4	23%	0.232	33%	0.327	C	S	.	.	H	α-helix	trans	-118.7	4.5	-168.5	-52.8	-69.4	0	0	0	114	F99 A104 A110 K111 L112 V129	F99-F108 HydrophobicContact CD2-CE2 4Å; F99-F108 AromaticContact CE2-CE2 3.86Å; F99-F108 HydrophobicContact CE2-CE2 3.86Å; F99-F108 HydrophobicContact CE2-CZ 4.04Å; F99-F108 HydrophobicContact CG-CE2 4.47Å; F99-F108 HydrophobicContact CZ-CE2 4.21Å; F99-F108 HydrophobicContact CZ-CZ 4.24Å; A104-F108 HydrophobicContact CB-CD2 4.38Å; A104-F108 WeakPolarHBondContact O-CA 3.35Å; A104-F108 WeakPolarHBondContact O-CB 3.01Å; A104-F108 WeakPolarHBondContact O-CD2 3.1Å; A104-F108 PolarHBondContact O-N 3.04Å; F108-A110 PolarHBondContact O-N 3.25Å; F108-K111 WeakPolarHBondContact O-CA 3.48Å; F108-K111 WeakPolarHBondContact O-CB 3.42Å; F108-K111 PolarHBondContact O-N 3.22Å; F108-L112 PolarHBondContact O-N 2.97Å; F108-V129 HydrophobicContact CB-CG2 3.95Å; F108-V129 HydrophobicContact CD1-CG2 4.05Å; F108-V129 HydrophobicContact CD2-CG1 4.09Å; F108-V129 HydrophobicContact CD2-CG2 4.14Å; F108-V129 HydrophobicContact CG-CG1 4.44Å; F108-V129 HydrophobicContact CG-CG2 3.78Å
109	G	94.6	Very high	96.2	Very high	14 Å²	14	63 Å²	63	14%	0.144	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.1	-172.8	0	0	0	0	0	116.1	V105 K111 K117	V105-G109 WeakPolarHBondContact O-CA 3.36Å; V105-G109 PolarHBondContact O-N 3.16Å; G109-K111 VanDerWaalsContact C-N 3.3Å; G109-K117 WeakPolarHBondContact O-CE 3.35Å; G109-K117 PolarHBondContact O-NZ 3.24Å
110	A	95.9	Very high	96.2	Very high	100 Å²	100	58.9 Å²	58.9	83%	0.826	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.7	171	0	0	0	0	0	114	F108	F108-A110 PolarHBondContact O-N 3.25Å
111	K	96.5	Very high	96.2	Very high	118 Å²	118	58.3 Å²	58.3	51%	0.513	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-9.2	179.2	-55.3	-59.4	-176.3	-175.6	0	113.5	F108 G109	F108-K111 WeakPolarHBondContact O-CA 3.48Å; F108-K111 WeakPolarHBondContact O-CB 3.42Å; F108-K111 PolarHBondContact O-N 3.22Å; G109-K111 VanDerWaalsContact C-N 3.3Å
112	L	96.4	Very high	96.2	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.052	33%	0.326	C	S	.	.	S	Bend	trans	-87.8	136	176.8	-60.6	-179.7	0	0	0	111.2	V105 F108 E116 K117 I120 V129	V105-L112 HydrophobicContact CG2-CD1 4.18Å; F108-L112 PolarHBondContact O-N 2.97Å; L112-E116 WeakPolarHBondContact CA-OE2 3.06Å; L112-E116 HydrophobicContact CB-CB 4.07Å; L112-E116 HydrophobicContact CD2-CB 4.24Å; L112-K117 HydrophobicContact CB-CG 3.99Å; L112-K117 WeakPolarHBondContact O-CE 3.27Å; L112-I120 HydrophobicContact CD1-CD1 3.86Å; L112-V129 HydrophobicContact CD2-CB 4.03Å; L112-V129 HydrophobicContact CD2-CG1 4.28Å
113	V	95.7	Very high	96.2	Very high	22 Å²	22	59.7 Å²	59.7	13%	0.133	32%	0.316	C	S	.	.			trans	-73.4	160.2	171	-62.7	0	0	0	0	111.1	F115 E116 K117 K135	V113-F115 HydrophobicContact CG2-CB 4.34Å; V113-F115 PolarHBondContact O-N 2.89Å; V113-F115 VanDerWaalsContact O-N 3.12Å; V113-E116 HydrophobicContact CG2-CB 4.16Å; V113-E116 HydrophobicContact CG2-CG 3.64Å; V113-E116 PolarHBondContact N-OE2 2.76Å; V113-E116 WeakPolarHBondContact O-CB 3.33Å; V113-E116 PolarHBondContact O-N 2.9Å; V113-K117 PolarHBondContact O-N 2.93Å; V113-K135 HydrophobicContact CG1-CB 3.77Å; V113-K135 HydrophobicContact CG1-CD 4.13Å
114	P	94.3	Very high	96.1	Very high	95 Å²	95	61 Å²	61	62%	0.617	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.3	-176.6	-28.9	36.8	0	0	0	115	N118	P114-N118 PolarHBondContact O-ND2 3Å
115	F	95.2	Very high	96.1	Very high	40 Å²	40	66.4 Å²	66.4	18%	0.175	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-46.9	173.2	-172.3	-89	0	0	0	112.1	V113 K117 N118 E119 I140 Y148 R239	V113-F115 HydrophobicContact CG2-CB 4.34Å; V113-F115 PolarHBondContact O-N 2.89Å; V113-F115 VanDerWaalsContact O-N 3.12Å; F115-K117 VanDerWaalsContact C-N 3.32Å; F115-K117 PolarHBondContact O-N 3.33Å; F115-N118 PolarHBondContact O-N 2.93Å; F115-N118 VanDerWaalsContact O-N 3.13Å; F115-E119 HydrophobicContact CD1-CB 4.13Å; F115-E119 HydrophobicContact CE1-CB 4.04Å; F115-E119 HydrophobicContact CE1-CG 4.16Å; F115-E119 WeakPolarHBondContact O-CB 3.43Å; F115-E119 PolarHBondContact O-N 3.24Å; F115-I140 HydrophobicContact CD2-CG1 3.72Å; F115-I140 HydrophobicContact CE2-CG1 3.67Å; F115-Y148 AromaticContact CD1-CE2 3.82Å; F115-Y148 HydrophobicContact CD1-CE2 3.82Å; F115-Y148 AromaticContact CD1-CZ 3.98Å; F115-Y148 WeakPolarHBondContact CD1-OH 3.29Å; F115-Y148 HydrophobicContact CD2-CE2 4.12Å; F115-Y148 AromaticContact CE1-CE2 3.71Å; F115-Y148 HydrophobicContact CE1-CE2 3.71Å; F115-Y148 HydrophobicContact CE2-CE2 4.02Å; F115-Y148 HydrophobicContact CG-CE2 4.03Å; F115-Y148 AromaticContact CZ-CE2 3.83Å; F115-Y148 HydrophobicContact CZ-CE2 3.83Å; F115-R239 HydrophobicContact CE1-CG 4.25Å
116	E	96.8	Very high	96.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-35.1	-177.9	-71.4	172.1	167.4	0	0	112.4	L112 V113 N118 E119 I120 K135 H162 Y165 R239	L112-E116 WeakPolarHBondContact CA-OE2 3.06Å; L112-E116 HydrophobicContact CB-CB 4.07Å; L112-E116 HydrophobicContact CD2-CB 4.24Å; V113-E116 HydrophobicContact CG2-CB 4.16Å; V113-E116 HydrophobicContact CG2-CG 3.64Å; V113-E116 PolarHBondContact N-OE2 2.76Å; V113-E116 WeakPolarHBondContact O-CB 3.33Å; V113-E116 PolarHBondContact O-N 2.9Å; E116-N118 PolarHBondContact O-N 3.3Å; E116-N118 VanDerWaalsContact O-N 3.11Å; E116-E119 PolarHBondContact O-N 3.07Å; E116-I120 VanDerWaalsContact O-CB 3.24Å; E116-I120 WeakPolarHBondContact O-CB 3.46Å; E116-I120 VanDerWaalsContact O-CG2 3.27Å; E116-I120 WeakPolarHBondContact O-CG2 3.47Å; E116-I120 PolarHBondContact O-N 2.81Å; E116-K135 VanDerWaalsContact CD-NZ 3.29Å; E116-K135 IonicContact OE1-NZ 2.67Å; E116-K135 PolarHBondContact OE1-NZ 3.36Å; E116-K135 WeakPolarHBondContact OE2-CD 3.34Å; E116-K135 VanDerWaalsContact OE2-CE 3.32Å; E116-K135 WeakPolarHBondContact OE2-CE 3.37Å; E116-K135 IonicContact OE2-NZ 3.35Å; E116-K135 PolarHBondContact OE2-NZ 3.33Å; E116-H162 IonicContact OE1-CD2 3.8Å; E116-H162 IonicContact OE1-NE2 2.72Å; E116-H162 PolarHBondContact OE1-NE2 3.31Å; E116-Y165 WeakPolarHBondContact CA-OH 3.3Å; E116-Y165 WeakPolarHBondContact CB-OH 3.36Å; E116-Y165 WeakPolarHBondContact CG-OH 3.49Å; E116-Y165 PolarHBondContact O-OH 3.31Å; E116-R239 VanDerWaalsContact CG-NH2 3.31Å; E116-R239 IonicContact OE1-NH2 3.19Å; E116-R239 PolarHBondContact OE1-NH2 2.88Å
117	K	94.5	Very high	96.2	Very high	91 Å²	91	58.3 Å²	58.3	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-59.4	-23.1	176	-64.8	-175.9	-178.7	-169.8	0	113.4	G109 L112 V113 F115 Y121	G109-K117 WeakPolarHBondContact O-CE 3.35Å; G109-K117 PolarHBondContact O-NZ 3.24Å; L112-K117 HydrophobicContact CB-CG 3.99Å; L112-K117 WeakPolarHBondContact O-CE 3.27Å; V113-K117 PolarHBondContact O-N 2.93Å; F115-K117 VanDerWaalsContact C-N 3.32Å; F115-K117 PolarHBondContact O-N 3.33Å; K117-Y121 WeakPolarHBondContact O-CD2 3.32Å; K117-Y121 VanDerWaalsContact O-CE2 3.24Å; K117-Y121 WeakPolarHBondContact O-CE2 3.46Å
118	N	93.9	Very high	96.3	Very high	107 Å²	107	56.1 Å²	56.1	57%	0.572	29%	0.289	S	S	*	.	H	α-helix	trans	-97.9	-42.3	173	-62	-60.6	0	0	0	111.7	P114 F115 E116 I120	P114-N118 PolarHBondContact O-ND2 3Å; F115-N118 PolarHBondContact O-N 2.93Å; F115-N118 VanDerWaalsContact O-N 3.13Å; E116-N118 PolarHBondContact O-N 3.3Å; E116-N118 VanDerWaalsContact O-N 3.11Å; N118-I120 VanDerWaalsContact C-N 3.33Å; N118-I120 PolarHBondContact O-N 2.93Å
119	E	96.4	Very high	96.4	Very high	19 Å²	19	53.9 Å²	53.9	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-37.7	-177.8	-177.4	-171.3	-133.6	0	0	112.9	F115 E116 Y121 N122 Y123 Y165 R239	F115-E119 HydrophobicContact CD1-CB 4.13Å; F115-E119 HydrophobicContact CE1-CB 4.04Å; F115-E119 HydrophobicContact CE1-CG 4.16Å; F115-E119 WeakPolarHBondContact O-CB 3.43Å; F115-E119 PolarHBondContact O-N 3.24Å; E116-E119 PolarHBondContact O-N 3.07Å; E119-Y121 PolarHBondContact O-N 3.42Å; E119-N122 WeakPolarHBondContact O-CB 3.24Å; E119-N122 PolarHBondContact O-N 3.05Å; E119-N122 PolarHBondContact O-ND2 3.19Å; E119-Y123 HydrophobicContact CG-CE2 4.09Å; E119-Y165 HydrophobicContact CG-CE2 4.09Å; E119-Y165 PolarHBondContact OE2-OH 2.88Å; E119-R239 WeakPolarHBondContact OE1-CG 3.28Å; E119-R239 IonicContact OE1-CZ 3.82Å; E119-R239 IonicContact OE1-NE 2.91Å; E119-R239 PolarHBondContact OE1-NE 2.89Å; E119-R239 IonicContact OE1-NH2 3.85Å; E119-R239 IonicContact OE2-CZ 2.66Å; E119-R239 IonicContact OE2-NE 2.73Å; E119-R239 PolarHBondContact OE2-NE 3.15Å; E119-R239 IonicContact OE2-NH2 3.52Å; E119-R239 PolarHBondContact OE2-NH2 3.25Å
120	I	97.5	Very high	96.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-57.9	-31.5	-173.5	-163.8	166.1	0	0	0	113.8	A104 V105 L112 E116 N118 N122 Y123 V126 Y165	A104-I120 HydrophobicContact CB-CD1 3.91Å; V105-I120 HydrophobicContact CG2-CD1 4.2Å; V105-I120 HydrophobicContact CG2-CG2 3.58Å; L112-I120 HydrophobicContact CD1-CD1 3.86Å; E116-I120 VanDerWaalsContact O-CB 3.24Å; E116-I120 WeakPolarHBondContact O-CB 3.46Å; E116-I120 VanDerWaalsContact O-CG2 3.27Å; E116-I120 WeakPolarHBondContact O-CG2 3.47Å; E116-I120 PolarHBondContact O-N 2.81Å; N118-I120 VanDerWaalsContact C-N 3.33Å; N118-I120 PolarHBondContact O-N 2.93Å; I120-N122 PolarHBondContact O-N 3.22Å; I120-Y123 PolarHBondContact O-N 3.25Å; I120-Y123 VanDerWaalsContact O-N 3.09Å; I120-V126 HydrophobicContact CD1-CG1 4.45Å; I120-V126 HydrophobicContact CD1-CG2 3.85Å; I120-V126 HydrophobicContact CG1-CG2 3.59Å; I120-Y165 HydrophobicContact CB-CE1 3.92Å; I120-Y165 HydrophobicContact CB-CE2 4.29Å; I120-Y165 HydrophobicContact CD1-CD1 4.02Å; I120-Y165 HydrophobicContact CD1-CE1 3.77Å; I120-Y165 HydrophobicContact CG1-CD1 3.95Å; I120-Y165 HydrophobicContact CG1-CE1 3.7Å; I120-Y165 HydrophobicContact CG1-CE2 4.45Å; I120-Y165 HydrophobicContact CG1-CG 4.41Å
121	Y	97.3	Very high	96.5	Very high	121 Å²	121	50.1 Å²	50.1	48%	0.475	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-71.4	-9.7	178.3	-66.6	-75.8	0	0	0	114.1	P101 E102 V105 K117 E119 Y123	P101-Y121 HydrophobicContact CB-CD1 3.58Å; P101-Y121 HydrophobicContact CB-CE1 3.9Å; P101-Y121 HydrophobicContact CB-CG 4.3Å; E102-Y121 HydrophobicContact CG-CE1 4.31Å; V105-Y121 HydrophobicContact CG2-CE2 4.21Å; K117-Y121 WeakPolarHBondContact O-CD2 3.32Å; K117-Y121 VanDerWaalsContact O-CE2 3.24Å; K117-Y121 WeakPolarHBondContact O-CE2 3.46Å; E119-Y121 PolarHBondContact O-N 3.42Å; Y121-Y123 VanDerWaalsContact C-N 3.26Å
122	N	96.8	Very high	96.5	Very high	78 Å²	78	53 Å²	53	42%	0.417	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-78.3	-11.3	170.1	-60	-60.6	0	0	0	112.9	E119 I120	E119-N122 WeakPolarHBondContact O-CB 3.24Å; E119-N122 PolarHBondContact O-N 3.05Å; E119-N122 PolarHBondContact O-ND2 3.19Å; I120-N122 PolarHBondContact O-N 3.22Å
123	Y	96.9	Very high	96.5	Very high	38 Å²	38	53.3 Å²	53.3	15%	0.149	27%	0.265	C	S	.	.			trans	-105.5	128.9	-177	-66.2	-87.3	0	0	0	110.4	P101 E119 I120 Y121 R125 A164 Y165	P101-Y123 WeakPolarHBondContact CG-O 3.34Å; E119-Y123 HydrophobicContact CG-CE2 4.09Å; I120-Y123 PolarHBondContact O-N 3.25Å; I120-Y123 VanDerWaalsContact O-N 3.09Å; Y121-Y123 VanDerWaalsContact C-N 3.26Å; Y123-R125 VanDerWaalsContact C-N 3.29Å; Y123-R125 PolarHBondContact O-N 2.74Å; Y123-A164 HydrophobicContact CD1-CB 4.43Å; Y123-A164 HydrophobicContact CE1-CB 3.66Å; Y123-Y165 HydrophobicContact CD1-CD2 4.32Å; Y123-Y165 AromaticContact CD2-CD2 3.33Å; Y123-Y165 HydrophobicContact CD2-CD2 3.33Å; Y123-Y165 AromaticContact CD2-CE2 3.54Å; Y123-Y165 HydrophobicContact CD2-CE2 3.54Å; Y123-Y165 AromaticContact CE2-CD2 3.67Å; Y123-Y165 HydrophobicContact CE2-CD2 3.67Å; Y123-Y165 AromaticContact CE2-CE2 3.65Å; Y123-Y165 HydrophobicContact CE2-CE2 3.65Å; Y123-Y165 AromaticContact CG-CD2 3.72Å; Y123-Y165 HydrophobicContact CG-CD2 3.72Å; Y123-Y165 HydrophobicContact CG-CE2 4.38Å
124	T	95.7	Very high	96.5	Very high	88 Å²	88	61.5 Å²	61.5	54%	0.54	30%	0.298	S	S	.	.	S	Bend	trans	-72.2	-22.4	-177.3	56.6	0	0	0	0	113.8	N71	N71-T124 PolarHBondContact ND2-OG1 2.83Å; N71-T124 VanDerWaalsContact ND2-OG1 3.08Å
125	R	97.1	Very high	96.5	Very high	113 Å²	113	58.5 Å²	58.5	43%	0.426	28%	0.276	S	S	.	.			trans	-146.5	141.5	178.9	-71.5	-64.8	-179.8	153.6	-3.9	110.1	S97 G98 F99 Y123 F127	S97-R125 WeakPolarHBondContact O-CD 3.4Å; S97-R125 PolarHBondContact O-NH1 2.85Å; G98-R125 PolarHBondContact O-NH1 2.65Å; F99-R125 WeakPolarHBondContact O-CA 3.2Å; Y123-R125 VanDerWaalsContact C-N 3.29Å; Y123-R125 PolarHBondContact O-N 2.74Å; R125-F127 HydrophobicContact CB-CD2 4.47Å; R125-F127 HydrophobicContact CB-CE1 4.34Å; R125-F127 HydrophobicContact CB-CE2 3.61Å; R125-F127 HydrophobicContact CB-CZ 3.54Å; R125-F127 HydrophobicContact CG-CZ 4.24Å
126	V	98.1	Very high	96.3	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-115	116.2	178.6	172.4	0	0	0	0	108.5	G98 F99 A104 I120 V129 Y165	G98-V126 CarbonylContact C-O 3.58Å; G98-V126 WeakPolarHBondContact CA-O 3.2Å; F99-V126 HydrophobicContact CB-CB 4.4Å; F99-V126 PolarHBondContact N-O 2.73Å; F99-V126 PolarHBondContact O-N 2.93Å; A104-V126 HydrophobicContact CB-CB 3.84Å; A104-V126 HydrophobicContact CB-CG1 3.76Å; A104-V126 HydrophobicContact CB-CG2 3.98Å; I120-V126 HydrophobicContact CD1-CG1 4.45Å; I120-V126 HydrophobicContact CD1-CG2 3.85Å; I120-V126 HydrophobicContact CG1-CG2 3.59Å; V126-V129 HydrophobicContact CG1-CG1 3.5Å; V126-V129 VanDerWaalsContact CG1-CG1 3.5Å; V126-Y165 HydrophobicContact CG1-CD1 4.29Å; V126-Y165 HydrophobicContact CG2-CD1 4.45Å; V126-Y165 HydrophobicContact CG2-CG 4.37Å
127	F	98.2	Very high	96	Very high	33 Å²	33	62.7 Å²	62.7	15%	0.145	31%	0.308	C	S	.	.	S	Bend	trans	-104.8	-28.4	179.9	-51.6	-89.3	0	0	0	112.1	N96 R125 Y165 R166 H187 K188	N96-F127 VanDerWaalsContact O-CE1 3.31Å; N96-F127 WeakPolarHBondContact O-CE1 3.41Å; R125-F127 HydrophobicContact CB-CD2 4.47Å; R125-F127 HydrophobicContact CB-CE1 4.34Å; R125-F127 HydrophobicContact CB-CE2 3.61Å; R125-F127 HydrophobicContact CB-CZ 3.54Å; R125-F127 HydrophobicContact CG-CZ 4.24Å; F127-Y165 PolarHBondContact N-O 3.01Å; F127-R166 HydrophobicContact CD2-CB 3.99Å; F127-R166 HydrophobicContact CD2-CG 4.04Å; F127-H187 HydrophobicContact CB-CB 3.91Å; F127-K188 HydrophobicContact CD1-CB 3.9Å; F127-K188 HydrophobicContact CD1-CG 4.2Å; F127-K188 HydrophobicContact CD2-CB 4.26Å; F127-K188 HydrophobicContact CE1-CB 3.92Å; F127-K188 HydrophobicContact CE1-CD 4.37Å; F127-K188 HydrophobicContact CE1-CG 3.7Å; F127-K188 HydrophobicContact CE2-CB 4.27Å; F127-K188 HydrophobicContact CE2-CD 4.27Å; F127-K188 HydrophobicContact CE2-CG 4.32Å; F127-K188 HydrophobicContact CG-CB 4.08Å; F127-K188 HydrophobicContact CZ-CB 4.1Å; F127-K188 HydrophobicContact CZ-CD 3.92Å; F127-K188 HydrophobicContact CZ-CG 3.77Å
128	F	98.3	Very high	95.7	Very high	37 Å²	37	58.9 Å²	58.9	16%	0.162	29%	0.294	C	S	.	.			trans	-153	135.1	-178	-177	-106.7	0	0	0	111.7	H160 H162 Y165 E168 H187	F128-H160 WeakPolarHBondContact CZ-O 3.34Å; F128-H162 HydrophobicContact CD1-CB 3.75Å; F128-H162 HydrophobicContact CE1-CB 4.27Å; F128-Y165 PolarHBondContact N-O 3.01Å; F128-Y165 CarbonylContact O-C 3.51Å; F128-Y165 WeakPolarHBondContact O-CA 3.42Å; F128-E168 HydrophobicContact CD1-CB 3.95Å; F128-E168 HydrophobicContact CD1-CG 4.5Å; F128-E168 HydrophobicContact CE1-CB 3.59Å; F128-E168 HydrophobicContact CE1-CG 3.65Å; F128-E168 HydrophobicContact CE2-CB 4.46Å; F128-E168 HydrophobicContact CE2-CG 4.4Å; F128-E168 HydrophobicContact CZ-CB 3.86Å; F128-E168 HydrophobicContact CZ-CG 3.58Å; F128-H187 HydrophobicContact CB-CB 4.01Å; F128-H187 AromaticContact CD2-CD2 3.66Å; F128-H187 AromaticContact CD2-CE1 3.6Å; F128-H187 AromaticContact CD2-NE2 3.31Å; F128-H187 VanDerWaalsContact CD2-NE2 3.31Å; F128-H187 WeakPolarHBondContact CD2-NE2 3.32Å; F128-H187 AromaticContact CE2-NE2 3.66Å; F128-H187 AromaticContact CG-CD2 3.55Å; F128-H187 AromaticContact CG-NE2 3.68Å
129	V	97.9	Very high	95.5	Very high	6 Å²	6	58.2 Å²	58.2	4%	0.036	29%	0.294	C	S	.	.			trans	-118.2	-0.8	-176.9	-58.8	0	0	0	0	114.5	F108 L112 V126 S131 K135 H162 Y165	F108-V129 HydrophobicContact CB-CG2 3.95Å; F108-V129 HydrophobicContact CD1-CG2 4.05Å; F108-V129 HydrophobicContact CD2-CG1 4.09Å; F108-V129 HydrophobicContact CD2-CG2 4.14Å; F108-V129 HydrophobicContact CG-CG1 4.44Å; F108-V129 HydrophobicContact CG-CG2 3.78Å; L112-V129 HydrophobicContact CD2-CB 4.03Å; L112-V129 HydrophobicContact CD2-CG1 4.28Å; V126-V129 HydrophobicContact CG1-CG1 3.5Å; V126-V129 VanDerWaalsContact CG1-CG1 3.5Å; V129-S131 VanDerWaalsContact CG2-OG 3.23Å; V129-S131 WeakPolarHBondContact CG2-OG 3.46Å; V129-S131 PolarHBondContact O-N 2.85Å; V129-K135 WeakPolarHBondContact O-CE 3.31Å; V129-K135 PolarHBondContact O-NZ 3.31Å; V129-H162 PolarHBondContact O-CD2 2.8Å; V129-Y165 HydrophobicContact CG1-CD1 4.33Å
130	G	97.5	Very high	95	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.01	32%	0.318	C	S	.	.			trans	63.7	39.3	178.9	0	0	0	0	0	114.6	H132 A133 H160	G130-H132 PolarHBondContact O-N 2.93Å; G130-A133 VanDerWaalsContact O-CB 3.31Å; G130-A133 WeakPolarHBondContact O-CB 3.16Å; G130-A133 PolarHBondContact O-N 2.89Å; G130-H160 WeakPolarHBondContact CA-O 3.26Å
131	S	96.4	Very high	94.5	Very high	34 Å²	34	66.8 Å²	66.8	24%	0.238	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-17.1	-171.4	-57.9	0	0	0	0	117	V129	V129-S131 VanDerWaalsContact CG2-OG 3.23Å; V129-S131 WeakPolarHBondContact CG2-OG 3.46Å; V129-S131 PolarHBondContact O-N 2.85Å
132	H	94.9	Very high	94.1	Very high	178 Å²	178	62.4 Å²	62.4	82%	0.824	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-0.3	-178.3	-56.8	-70.8	0	0	0	113.1	G130	G130-H132 PolarHBondContact O-N 2.93Å
133	A	96.4	Very high	93.9	Very high	18 Å²	18	62.5 Å²	62.5	15%	0.149	36%	0.363	C	S	.	.	S	Bend	trans	-73.2	148.2	178.9	0	0	0	0	0	111.6	G130 K135 V158 D161	G130-A133 VanDerWaalsContact O-CB 3.31Å; G130-A133 WeakPolarHBondContact O-CB 3.16Å; G130-A133 PolarHBondContact O-N 2.89Å; A133-K135 HydrophobicContact CB-CG 4.17Å; A133-K135 PolarHBondContact O-N 3.49Å; A133-V158 HydrophobicContact CB-CG1 4.04Å; A133-D161 HydrophobicContact CB-CB 3.64Å
134	K	95.8	Very high	93.7	Very high	193 Å²	193	64.6 Å²	64.6	84%	0.839	38%	0.376	S	S	*	.			trans	-80.2	67.1	170.2	-65.4	-174.1	-179.8	-176.7	0	109.7	V158	K134-V158 WeakPolarHBondContact O-CG1 3.32Å
135	K	95.1	Very high	93.7	Very high	32 Å²	32	62 Å²	62	14%	0.139	36%	0.359	C	S	.	.			trans	-55.4	144.4	-173.8	-69	175.6	170.1	-69.2	0	112.6	V113 E116 V129 A133 D161 H162	V113-K135 HydrophobicContact CG1-CB 3.77Å; V113-K135 HydrophobicContact CG1-CD 4.13Å; E116-K135 VanDerWaalsContact CD-NZ 3.29Å; E116-K135 IonicContact OE1-NZ 2.67Å; E116-K135 PolarHBondContact OE1-NZ 3.36Å; E116-K135 WeakPolarHBondContact OE2-CD 3.34Å; E116-K135 VanDerWaalsContact OE2-CE 3.32Å; E116-K135 WeakPolarHBondContact OE2-CE 3.37Å; E116-K135 IonicContact OE2-NZ 3.35Å; E116-K135 PolarHBondContact OE2-NZ 3.33Å; V129-K135 WeakPolarHBondContact O-CE 3.31Å; V129-K135 PolarHBondContact O-NZ 3.31Å; A133-K135 HydrophobicContact CB-CG 4.17Å; A133-K135 PolarHBondContact O-N 3.49Å; K135-D161 IonicContact NZ-OD1 3.22Å; K135-D161 PolarHBondContact NZ-OD1 2.81Å; K135-H162 PolarHBondContact NZ-CD2 3.08Å
136	Q	91.8	Very high	93.5	Very high	57 Å²	57	57 Å²	57	27%	0.266	34%	0.343	S	S	.	.			trans	-85.9	128	171.7	-166.5	168.1	6.5	0	0	110.7	G138 G147 Y148	Q136-G138 PolarHBondContact O-N 3.38Å; Q136-G147 PolarHBondContact NE2-O 2.89Å; Q136-G147 PolarHBondContact OE1-O 3.27Å; Q136-Y148 HydrophobicContact CB-CD1 4.47Å; Q136-Y148 HydrophobicContact CB-CE1 4.18Å; Q136-Y148 PolarHBondContact O-OH 3.13Å
137	A	89.5	Confident	93.4	Very high	71 Å²	71	57.9 Å²	57.9	59%	0.587	35%	0.353	S	S	*	.			trans	-79.8	81.4	177.8	0	0	0	0	0	110.5
138	G	87.9	Confident	93.3	Very high	11 Å²	11	56.4 Å²	56.4	11%	0.113	35%	0.346	C	S	.	.			trans	-67	148.5	-179.2	0	0	0	0	0	113.7	Q136 G146 Y148	Q136-G138 PolarHBondContact O-N 3.38Å; G138-G146 CarbonylContact C-O 3.56Å; G138-G146 WeakPolarHBondContact CA-O 3.44Å; G138-Y148 PolarHBondContact N-OH 3.11Å
139	V	89.6	Confident	93.3	Very high	94 Å²	94	55 Å²	55	57%	0.57	34%	0.34	S	S	*	.			trans	-116.8	119.4	-179.6	-178.2	0	0	0	0	109.8	G141 G142 G146	V139-G141 PolarHBondContact O-N 3.22Å; V139-G142 PolarHBondContact O-N 3.09Å; V139-G146 PolarHBondContact N-O 2.8Å; V139-G146 WeakPolarHBondContact O-CA 3.04Å
140	I	86.2	Confident	93.1	Very high	114 Å²	114	57 Å²	57	59%	0.585	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	126.2	-179.5	-59.7	173.1	0	0	0	109.6	F115 G142	F115-I140 HydrophobicContact CD2-CG1 3.72Å; F115-I140 HydrophobicContact CE2-CG1 3.67Å; I140-G142 PolarHBondContact O-N 2.85Å
141	G	86.6	Confident	93	Very high	84 Å²	84	65.7 Å²	65.7	87%	0.866	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	0.1	-178.6	0	0	0	0	0	115.4	V139	V139-G141 PolarHBondContact O-N 3.22Å
142	G	89.7	Confident	92.8	Very high	29 Å²	29	68.5 Å²	68.5	30%	0.299	40%	0.403	S	S	.	.			trans	-67.5	163	174.5	0	0	0	0	0	113.2	V139 I140 G146	V139-G142 PolarHBondContact O-N 3.09Å; I140-G142 PolarHBondContact O-N 2.85Å; G142-G146 PolarHBondContact O-N 3.37Å
143	A	92.2	Very high	92.8	Very high	81 Å²	81	60.7 Å²	60.7	67%	0.669	37%	0.371	S	S	*	.	H	α-helix	trans	-55.5	157.9	173.7	0	0	0	0	0	112.1	N145 G146 G147	A143-N145 PolarHBondContact O-N 3.13Å; A143-G146 CarbonylContact O-C 3.58Å; A143-G146 PolarHBondContact O-N 3.04Å; A143-G146 VanDerWaalsContact O-N 3.14Å; A143-G147 PolarHBondContact O-N 3.47Å
144	N	93.9	Very high	92.8	Very high	81 Å²	81	60.2 Å²	60.2	43%	0.433	37%	0.367	S	S	.	.	H	α-helix	trans	50.1	51.9	178.7	-61	77	0	0	0	112.9	G146 G147 Y148 D149 D150	N144-G146 PolarHBondContact O-N 3.45Å; N144-G147 CarbonylContact O-C 3.28Å; N144-G147 VanDerWaalsContact O-C 3.28Å; N144-G147 WeakPolarHBondContact O-CA 3.43Å; N144-G147 PolarHBondContact O-N 3.22Å; N144-Y148 PolarHBondContact O-N 3.06Å; N144-Y148 VanDerWaalsContact O-N 3.16Å; N144-D149 PolarHBondContact O-N 3.37Å; N144-D150 PolarHBondContact ND2-O 2.89Å
145	N	95.3	Very high	92.9	Very high	33 Å²	33	51.6 Å²	51.6	18%	0.176	33%	0.329	C	S	.	.	H	α-helix	trans	57.3	45.1	-178.7	-169.8	26.4	0	0	0	112.6	A143 G147 Y148 D149 R239 N240	A143-N145 PolarHBondContact O-N 3.13Å; N145-G147 PolarHBondContact O-N 2.87Å; N145-Y148 WeakPolarHBondContact O-CD2 2.99Å; N145-Y148 PolarHBondContact O-N 2.82Å; N145-D149 HydrophobicContact CB-CB 3.94Å; N145-D149 VanDerWaalsContact CB-OD1 3.29Å; N145-D149 WeakPolarHBondContact CB-OD1 3.47Å; N145-D149 VanDerWaalsContact CB-OD2 3.3Å; N145-D149 WeakPolarHBondContact CB-OD2 3.31Å; N145-D149 PolarHBondContact ND2-OD1 3.41Å; N145-R239 PolarHBondContact ND2-O 2.94Å; N145-N240 PolarHBondContact OD1-ND2 3.34Å
146	G	93.2	Very high	93	Very high	9 Å²	9	54.1 Å²	54.1	9%	0.093	34%	0.341	C	S	.	.	H	α-helix	trans	67.2	21.3	-173.8	0	0	0	0	0	114.4	G138 V139 G142 A143 N144	G138-G146 CarbonylContact C-O 3.56Å; G138-G146 WeakPolarHBondContact CA-O 3.44Å; V139-G146 PolarHBondContact N-O 2.8Å; V139-G146 WeakPolarHBondContact O-CA 3.04Å; G142-G146 PolarHBondContact O-N 3.37Å; A143-G146 CarbonylContact O-C 3.58Å; A143-G146 PolarHBondContact O-N 3.04Å; A143-G146 VanDerWaalsContact O-N 3.14Å; N144-G146 PolarHBondContact O-N 3.45Å
147	G	95.3	Very high	93.2	Very high	20 Å²	20	53.3 Å²	53.3	21%	0.206	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	95	-14.2	-174.2	0	0	0	0	0	114.8	Q136 A143 N144 N145 D149 Q156	Q136-G147 PolarHBondContact NE2-O 2.89Å; Q136-G147 PolarHBondContact OE1-O 3.27Å; A143-G147 PolarHBondContact O-N 3.47Å; N144-G147 CarbonylContact O-C 3.28Å; N144-G147 VanDerWaalsContact O-C 3.28Å; N144-G147 WeakPolarHBondContact O-CA 3.43Å; N144-G147 PolarHBondContact O-N 3.22Å; N145-G147 PolarHBondContact O-N 2.87Å; G147-D149 PolarHBondContact O-N 2.89Å; G147-Q156 PolarHBondContact O-NE2 3.35Å
148	Y	97	Very high	93.6	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.008	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.2	-175.9	-72.3	-60.4	0	0	0	114.9	F115 Q136 G138 N144 N145 Y155 Q156 R239	F115-Y148 AromaticContact CD1-CE2 3.82Å; F115-Y148 HydrophobicContact CD1-CE2 3.82Å; F115-Y148 AromaticContact CD1-CZ 3.98Å; F115-Y148 WeakPolarHBondContact CD1-OH 3.29Å; F115-Y148 HydrophobicContact CD2-CE2 4.12Å; F115-Y148 AromaticContact CE1-CE2 3.71Å; F115-Y148 HydrophobicContact CE1-CE2 3.71Å; F115-Y148 HydrophobicContact CE2-CE2 4.02Å; F115-Y148 HydrophobicContact CG-CE2 4.03Å; F115-Y148 AromaticContact CZ-CE2 3.83Å; F115-Y148 HydrophobicContact CZ-CE2 3.83Å; Q136-Y148 HydrophobicContact CB-CD1 4.47Å; Q136-Y148 HydrophobicContact CB-CE1 4.18Å; Q136-Y148 PolarHBondContact O-OH 3.13Å; G138-Y148 PolarHBondContact N-OH 3.11Å; N144-Y148 PolarHBondContact O-N 3.06Å; N144-Y148 VanDerWaalsContact O-N 3.16Å; N145-Y148 WeakPolarHBondContact O-CD2 2.99Å; N145-Y148 PolarHBondContact O-N 2.82Å; Y148-Y155 HydrophobicContact CD1-CE2 4.1Å; Y148-Y155 HydrophobicContact CG-CE2 4.16Å; Y148-Q156 WeakPolarHBondContact O-CB 3.25Å; Y148-Q156 PolarHBondContact O-N 2.89Å; Y148-R239 VanDerWaalsContact CE1-NH1 3.27Å
149	D	97.3	Very high	94.1	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.032	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-107.2	153.6	-179.3	-65.2	9.3	0	0	0	111.4	N144 N145 G147 S154 Q156 N200 H241	N144-D149 PolarHBondContact O-N 3.37Å; N145-D149 HydrophobicContact CB-CB 3.94Å; N145-D149 VanDerWaalsContact CB-OD1 3.29Å; N145-D149 WeakPolarHBondContact CB-OD1 3.47Å; N145-D149 VanDerWaalsContact CB-OD2 3.3Å; N145-D149 WeakPolarHBondContact CB-OD2 3.31Å; N145-D149 PolarHBondContact ND2-OD1 3.41Å; G147-D149 PolarHBondContact O-N 2.89Å; D149-S154 WeakPolarHBondContact CA-O 3.14Å; D149-Q156 PolarHBondContact O-NE2 2.94Å; D149-N200 VanDerWaalsContact OD2-CB 3.31Å; D149-N200 WeakPolarHBondContact OD2-CB 3.29Å; D149-N200 PolarHBondContact OD2-ND2 3Å; D149-H241 IonicContact OD1-CE1 3.41Å; D149-H241 IonicContact OD1-NE2 2.97Å; D149-H241 PolarHBondContact OD1-NE2 2.88Å; D149-H241 IonicContact OD2-NE2 3.38Å
150	D	94.8	Very high	94.5	Very high	50 Å²	50	54.6 Å²	54.6	27%	0.267	33%	0.33	S	S	.	.			trans	-74.6	177.9	162.3	69.5	16.1	0	0	0	111.9	N144 N152 G153 S154	N144-D150 PolarHBondContact ND2-O 2.89Å; D150-N152 PolarHBondContact O-N 3.11Å; D150-N152 VanDerWaalsContact OD1-CA 3.25Å; D150-N152 WeakPolarHBondContact OD1-CA 3.46Å; D150-N152 WeakPolarHBondContact OD1-CB 3.49Å; D150-N152 PolarHBondContact OD1-N 3.17Å; D150-G153 PolarHBondContact O-N 3.11Å; D150-G153 PolarHBondContact OD1-N 3.43Å; D150-G153 VanDerWaalsContact OD1-N 3.13Å; D150-S154 PolarHBondContact N-O 3.29Å; D150-S154 WeakPolarHBondContact OD1-CB 3.48Å; D150-S154 PolarHBondContact OD1-N 2.96Å; D150-S154 PolarHBondContact OD1-OG 3.34Å; D150-S154 VanDerWaalsContact OD1-OG 3.11Å; D150-S154 VanDerWaalsContact OD2-CB 3.32Å; D150-S154 WeakPolarHBondContact OD2-CB 3.43Å; D150-S154 PolarHBondContact OD2-OG 3.41Å
151	E	94	Very high	95.1	Very high	182 Å²	182	49.3 Å²	49.3	85%	0.85	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.9	175.7	-64.1	177	178	0	0	113.6
152	N	92.9	Very high	95.6	Very high	93 Å²	93	45.3 Å²	45.3	50%	0.497	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	13	179.6	-57.7	-90	0	0	0	112.4	D150 S154 R199	D150-N152 PolarHBondContact O-N 3.11Å; D150-N152 VanDerWaalsContact OD1-CA 3.25Å; D150-N152 WeakPolarHBondContact OD1-CA 3.46Å; D150-N152 WeakPolarHBondContact OD1-CB 3.49Å; D150-N152 PolarHBondContact OD1-N 3.17Å; N152-S154 VanDerWaalsContact C-N 3.28Å; N152-S154 PolarHBondContact O-N 3.46Å; N152-R199 VanDerWaalsContact CB-NH2 3.34Å; N152-R199 WeakPolarHBondContact O-CD 3.23Å; N152-R199 WeakPolarHBondContact O-CG 3.36Å; N152-R199 VanDerWaalsContact O-CZ 3.22Å; N152-R199 PolarHBondContact O-NE 3.48Å; N152-R199 PolarHBondContact O-NH1 3.45Å
153	G	95	Very high	96.1	Very high	14 Å²	14	44 Å²	44	14%	0.144	25%	0.248	C	C	.	.	S	Bend	trans	70.2	20	-179.8	0	0	0	0	0	114.4	D150 R199 N200 H241	D150-G153 PolarHBondContact O-N 3.11Å; D150-G153 PolarHBondContact OD1-N 3.43Å; D150-G153 VanDerWaalsContact OD1-N 3.13Å; G153-R199 WeakPolarHBondContact O-CG 3.31Å; G153-N200 WeakPolarHBondContact O-CB 3.37Å; G153-N200 PolarHBondContact O-N 3.5Å; G153-H241 PolarHBondContact O-CE1 3.29Å
154	S	96.4	Very high	96.4	Very high	8 Å²	8	40.7 Å²	40.7	6%	0.056	22%	0.22	C	C	.	.			trans	-96.4	132	178.3	-32.2	0	0	0	0	110	D149 D150 N152 Q156 R199	D149-S154 WeakPolarHBondContact CA-O 3.14Å; D150-S154 PolarHBondContact N-O 3.29Å; D150-S154 WeakPolarHBondContact OD1-CB 3.48Å; D150-S154 PolarHBondContact OD1-N 2.96Å; D150-S154 PolarHBondContact OD1-OG 3.34Å; D150-S154 VanDerWaalsContact OD1-OG 3.11Å; D150-S154 VanDerWaalsContact OD2-CB 3.32Å; D150-S154 WeakPolarHBondContact OD2-CB 3.43Å; D150-S154 PolarHBondContact OD2-OG 3.41Å; N152-S154 VanDerWaalsContact C-N 3.28Å; N152-S154 PolarHBondContact O-N 3.46Å; S154-Q156 PolarHBondContact O-N 3.32Å; S154-R199 PolarHBondContact OG-NE 2.85Å; S154-R199 PolarHBondContact OG-NH2 2.78Å
155	Y	97.6	Very high	96.6	Very high	12 Å²	12	36.8 Å²	36.8	5%	0.047	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-58.3	132.9	-178.1	-167.4	-103	0	0	0	112.7	Y148 L157 I163 L197 F238 R239 H241	Y148-Y155 HydrophobicContact CD1-CE2 4.1Å; Y148-Y155 HydrophobicContact CG-CE2 4.16Å; Y155-L157 HydrophobicContact CD1-CD2 3.87Å; Y155-L157 HydrophobicContact CD1-CG 4.25Å; Y155-L157 HydrophobicContact CE1-CD2 4.32Å; Y155-L157 PolarHBondContact O-N 2.97Å; Y155-L157 VanDerWaalsContact O-N 3.17Å; Y155-I163 HydrophobicContact CE1-CD1 3.98Å; Y155-L197 HydrophobicContact CD1-CD2 3.82Å; Y155-L197 HydrophobicContact CG-CD2 4.03Å; Y155-F238 HydrophobicContact CE2-CE1 4.24Å; Y155-F238 AromaticContact CZ-CE1 3.86Å; Y155-R239 HydrophobicContact CE2-CB 4.11Å; Y155-R239 PolarHBondContact OH-NH1 3.09Å; Y155-H241 WeakPolarHBondContact CB-NE2 3.46Å; Y155-H241 AromaticContact CD2-CD2 3.46Å; Y155-H241 VanDerWaalsContact CD2-CD2 3.46Å; Y155-H241 WeakPolarHBondContact CD2-CD2 3.32Å; Y155-H241 AromaticContact CD2-NE2 3.48Å; Y155-H241 WeakPolarHBondContact CD2-NE2 3.5Å; Y155-H241 AromaticContact CG-CD2 3.98Å; Y155-H241 AromaticContact CG-NE2 3.92Å; Y155-H241 PolarHBondContact N-CE1 2.72Å
156	Q	96.8	Very high	96.7	Very high	85 Å²	85	36.5 Å²	36.5	40%	0.397	20%	0.196	S	C	.	.			trans	-80.6	92.4	176.2	-61.4	-160.6	63.3	0	0	110.2	G147 Y148 D149 S154 V158	G147-Q156 PolarHBondContact O-NE2 3.35Å; Y148-Q156 WeakPolarHBondContact O-CB 3.25Å; Y148-Q156 PolarHBondContact O-N 2.89Å; D149-Q156 PolarHBondContact O-NE2 2.94Å; S154-Q156 PolarHBondContact O-N 3.32Å; Q156-V158 PolarHBondContact O-N 3.46Å
157	L	96.5	Very high	97	Very high	40 Å²	40	36.2 Å²	36.2	21%	0.209	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-68.4	125.9	-179.1	-70.3	169.1	0	0	0	112.7	Y155 V169 V172 Q180 I182 L197	Y155-L157 HydrophobicContact CD1-CD2 3.87Å; Y155-L157 HydrophobicContact CD1-CG 4.25Å; Y155-L157 HydrophobicContact CE1-CD2 4.32Å; Y155-L157 PolarHBondContact O-N 2.97Å; Y155-L157 VanDerWaalsContact O-N 3.17Å; L157-V169 HydrophobicContact CB-CG1 4.5Å; L157-V169 HydrophobicContact CD2-CG1 4.11Å; L157-V169 HydrophobicContact CD2-CG2 4.25Å; L157-V172 HydrophobicContact CD1-CG2 3.68Å; L157-Q180 HydrophobicContact CD1-CB 4.46Å; L157-Q180 VanDerWaalsContact CD1-OE1 3.3Å; L157-I182 HydrophobicContact CD1-CG2 3.37Å; L157-I182 HydrophobicContact CD2-CD1 4.4Å; L157-I182 HydrophobicContact CD2-CG2 4.11Å; L157-I182 HydrophobicContact CG-CG2 4.4Å; L157-L197 HydrophobicContact CD2-CD1 4.07Å; L157-L197 HydrophobicContact CD2-CD2 4.15Å
158	V	97.8	Very high	97.2	Very high	30 Å²	30	36.7 Å²	36.7	18%	0.182	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-102.5	126.5	166.6	179.6	0	0	0	0	108.8	A133 K134 Q156 D161 V169	A133-V158 HydrophobicContact CB-CG1 4.04Å; K134-V158 WeakPolarHBondContact O-CG1 3.32Å; Q156-V158 PolarHBondContact O-N 3.46Å; V158-D161 HydrophobicContact CB-CB 3.79Å; V158-D161 HydrophobicContact CG1-CB 4.01Å; V158-D161 WeakPolarHBondContact O-CB 3.38Å; V158-D161 PolarHBondContact O-N 2.96Å; V158-V169 WeakPolarHBondContact O-CB 3.34Å
159	V	97.8	Very high	97.2	Very high	78 Å²	78	36.8 Å²	36.8	47%	0.473	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	140.4	178.3	-171.7	0	0	0	0	109.9	D161 L170	V159-D161 PolarHBondContact O-N 3.45Å; V159-L170 WeakPolarHBondContact CG1-O 3.47Å
160	H	98.3	Very high	97.3	Very high	95 Å²	95	38.6 Å²	38.6	44%	0.44	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	7.2	-169.6	-55	-68.2	0	0	0	115.8	F128 G130 E168 V169	F128-H160 WeakPolarHBondContact CZ-O 3.34Å; G130-H160 WeakPolarHBondContact CA-O 3.26Å; H160-E168 IonicContact CE1-OE1 3.68Å; H160-E168 IonicContact CG-OE1 2.76Å; H160-E168 IonicContact ND1-OE1 3.86Å; H160-E168 PolarHBondContact ND1-OE1 2.84Å; H160-V169 PolarHBondContact N-O 3.48Å
161	D	98.5	Very high	97.4	Very high	4 Å²	4	43 Å²	43	2%	0.021	22%	0.216	C	C	.	.			trans	-81.7	168.6	170.2	-155.7	4.6	0	0	0	111.6	A133 K135 V158 V159 V169	A133-D161 HydrophobicContact CB-CB 3.64Å; K135-D161 IonicContact NZ-OD1 3.22Å; K135-D161 PolarHBondContact NZ-OD1 2.81Å; V158-D161 HydrophobicContact CB-CB 3.79Å; V158-D161 HydrophobicContact CG1-CB 4.01Å; V158-D161 WeakPolarHBondContact O-CB 3.38Å; V158-D161 PolarHBondContact O-N 2.96Å; V159-D161 PolarHBondContact O-N 3.45Å; D161-V169 WeakPolarHBondContact O-CG2 3.35Å; D161-V169 PolarHBondContact O-N 2.93Å
162	H	98.4	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	148.2	178.7	76	67.6	0	0	0	113.2	E116 F128 V129 K135 Y165 Y167 F238	E116-H162 IonicContact OE1-CD2 3.8Å; E116-H162 IonicContact OE1-NE2 2.72Å; E116-H162 PolarHBondContact OE1-NE2 3.31Å; F128-H162 HydrophobicContact CD1-CB 3.75Å; F128-H162 HydrophobicContact CE1-CB 4.27Å; V129-H162 PolarHBondContact O-CD2 2.8Å; K135-H162 PolarHBondContact NZ-CD2 3.08Å; H162-Y165 AromaticContact CD2-CD1 3.94Å; H162-Y165 AromaticContact CD2-CE1 3.96Å; H162-Y165 AromaticContact CE1-CD1 3.83Å; H162-Y165 AromaticContact CE1-CD2 3.97Å; H162-Y165 AromaticContact CE1-CE1 3.57Å; H162-Y165 AromaticContact CE1-CE2 3.68Å; H162-Y165 AromaticContact CE1-CZ 3.47Å; H162-Y165 VanDerWaalsContact CE1-CZ 3.47Å; H162-Y165 PolarHBondContact ND1-N 3.15Å; H162-Y165 AromaticContact NE2-CD1 3.61Å; H162-Y165 AromaticContact NE2-CE1 3.2Å; H162-Y165 WeakPolarHBondContact NE2-CE1 3.36Å; H162-Y165 AromaticContact NE2-CZ 3.5Å; H162-Y167 CarbonylContact C-O 3.53Å; H162-Y167 WeakPolarHBondContact CA-O 3.17Å; H162-F238 AromaticContact CE1-CE2 3.99Å; H162-F238 AromaticContact CE1-CZ 3.99Å; H162-F238 AromaticContact ND1-CE2 4Å; H162-F238 AromaticContact ND1-CZ 3.88Å
163	I	98.6	Very high	97.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.3	154.9	-56.6	-59.8	0	0	0	107.4	Y155 Y165 R166 Y167 V169 I182 L195 L197 F236 F238	Y155-I163 HydrophobicContact CE1-CD1 3.98Å; I163-Y165 PolarHBondContact O-N 2.85Å; I163-Y165 VanDerWaalsContact O-N 3.11Å; I163-R166 PolarHBondContact O-N 3.45Å; I163-R166 VanDerWaalsContact O-N 3.13Å; I163-Y167 PolarHBondContact N-O 3.25Å; I163-Y167 PolarHBondContact O-N 3.13Å; I163-V169 HydrophobicContact CD1-CG2 4.11Å; I163-V169 HydrophobicContact CG1-CG2 3.78Å; I163-I182 HydrophobicContact CG1-CD1 4.46Å; I163-L195 HydrophobicContact CB-CD1 4.27Å; I163-L195 HydrophobicContact CG2-CD1 4.07Å; I163-L197 HydrophobicContact CD1-CD2 3.98Å; I163-F236 HydrophobicContact CG2-CE2 3.78Å; I163-F236 HydrophobicContact CG2-CZ 3.96Å; I163-F238 HydrophobicContact CB-CD1 4.42Å; I163-F238 HydrophobicContact CB-CE1 4.43Å; I163-F238 HydrophobicContact CD1-CD1 3.84Å; I163-F238 HydrophobicContact CD1-CE1 3.5Å; I163-F238 HydrophobicContact CD1-CZ 4.43Å; I163-F238 HydrophobicContact CG2-CB 4.23Å; I163-F238 HydrophobicContact CG2-CD1 3.77Å; I163-F238 HydrophobicContact CG2-CE1 4.26Å; I163-F238 HydrophobicContact CG2-CG 3.99Å
164	A	98.3	Very high	97.6	Very high	10 Å²	10	37.3 Å²	37.3	8%	0.083	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	37.9	177.8	0	0	0	0	0	114.9	Y123 R166 F236 F238	Y123-A164 HydrophobicContact CD1-CB 4.43Å; Y123-A164 HydrophobicContact CE1-CB 3.66Å; A164-R166 PolarHBondContact O-N 2.9Å; A164-F236 HydrophobicContact CB-CD2 3.86Å; A164-F236 HydrophobicContact CB-CE2 3.46Å; A164-F236 VanDerWaalsContact CB-CE2 3.46Å; A164-F236 HydrophobicContact CB-CZ 4.06Å; A164-F238 HydrophobicContact CB-CD2 4.19Å; A164-F238 VanDerWaalsContact N-CD2 3.28Å; A164-F238 VanDerWaalsContact N-CE2 3.32Å
165	Y	98.5	Very high	97.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	26	-178.9	-60.2	-88.7	0	0	0	115.3	E116 E119 I120 Y123 V126 F127 F128 V129 H162 I163	E116-Y165 WeakPolarHBondContact CA-OH 3.3Å; E116-Y165 WeakPolarHBondContact CB-OH 3.36Å; E116-Y165 WeakPolarHBondContact CG-OH 3.49Å; E116-Y165 PolarHBondContact O-OH 3.31Å; E119-Y165 HydrophobicContact CG-CE2 4.09Å; E119-Y165 PolarHBondContact OE2-OH 2.88Å; I120-Y165 HydrophobicContact CB-CE1 3.92Å; I120-Y165 HydrophobicContact CB-CE2 4.29Å; I120-Y165 HydrophobicContact CD1-CD1 4.02Å; I120-Y165 HydrophobicContact CD1-CE1 3.77Å; I120-Y165 HydrophobicContact CG1-CD1 3.95Å; I120-Y165 HydrophobicContact CG1-CE1 3.7Å; I120-Y165 HydrophobicContact CG1-CE2 4.45Å; I120-Y165 HydrophobicContact CG1-CG 4.41Å; Y123-Y165 HydrophobicContact CD1-CD2 4.32Å; Y123-Y165 AromaticContact CD2-CD2 3.33Å; Y123-Y165 HydrophobicContact CD2-CD2 3.33Å; Y123-Y165 AromaticContact CD2-CE2 3.54Å; Y123-Y165 HydrophobicContact CD2-CE2 3.54Å; Y123-Y165 AromaticContact CE2-CD2 3.67Å; Y123-Y165 HydrophobicContact CE2-CD2 3.67Å; Y123-Y165 AromaticContact CE2-CE2 3.65Å; Y123-Y165 HydrophobicContact CE2-CE2 3.65Å; Y123-Y165 AromaticContact CG-CD2 3.72Å; Y123-Y165 HydrophobicContact CG-CD2 3.72Å; Y123-Y165 HydrophobicContact CG-CE2 4.38Å; V126-Y165 HydrophobicContact CG1-CD1 4.29Å; V126-Y165 HydrophobicContact CG2-CD1 4.45Å; V126-Y165 HydrophobicContact CG2-CG 4.37Å; F127-Y165 PolarHBondContact N-O 3.01Å; F128-Y165 PolarHBondContact N-O 3.01Å; F128-Y165 CarbonylContact O-C 3.51Å; F128-Y165 WeakPolarHBondContact O-CA 3.42Å; V129-Y165 HydrophobicContact CG1-CD1 4.33Å; H162-Y165 AromaticContact CD2-CD1 3.94Å; H162-Y165 AromaticContact CD2-CE1 3.96Å; H162-Y165 AromaticContact CE1-CD1 3.83Å; H162-Y165 AromaticContact CE1-CD2 3.97Å; H162-Y165 AromaticContact CE1-CE1 3.57Å; H162-Y165 AromaticContact CE1-CE2 3.68Å; H162-Y165 AromaticContact CE1-CZ 3.47Å; H162-Y165 VanDerWaalsContact CE1-CZ 3.47Å; H162-Y165 PolarHBondContact ND1-N 3.15Å; H162-Y165 AromaticContact NE2-CD1 3.61Å; H162-Y165 AromaticContact NE2-CE1 3.2Å; H162-Y165 WeakPolarHBondContact NE2-CE1 3.36Å; H162-Y165 AromaticContact NE2-CZ 3.5Å; I163-Y165 PolarHBondContact O-N 2.85Å; I163-Y165 VanDerWaalsContact O-N 3.11Å
166	R	98.5	Very high	96.7	Very high	27 Å²	27	44.4 Å²	44.4	10%	0.102	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.5	-41.8	-172.8	175.9	173.2	163.9	-159.1	-11.6	114.3	F127 I163 A164 D186 H187 K188 D234	F127-R166 HydrophobicContact CD2-CB 3.99Å; F127-R166 HydrophobicContact CD2-CG 4.04Å; I163-R166 PolarHBondContact O-N 3.45Å; I163-R166 VanDerWaalsContact O-N 3.13Å; A164-R166 PolarHBondContact O-N 2.9Å; R166-D186 WeakPolarHBondContact CG-OD1 3.41Å; R166-D186 IonicContact CZ-OD1 3.97Å; R166-D186 IonicContact CZ-OD2 3.25Å; R166-D186 IonicContact NE-OD1 2.77Å; R166-D186 PolarHBondContact NE-OD1 3.21Å; R166-D186 IonicContact NE-OD2 2.71Å; R166-D186 PolarHBondContact NE-OD2 2.96Å; R166-D186 IonicContact NH2-OD1 2.73Å; R166-D186 IonicContact NH2-OD2 2.74Å; R166-D186 PolarHBondContact NH2-OD2 3.05Å; R166-H187 WeakPolarHBondContact O-CB 3.38Å; R166-H187 PolarHBondContact O-N 2.79Å; R166-K188 HydrophobicContact CG-CB 4.18Å; R166-D234 IonicContact CZ-OD2 3.7Å; R166-D234 IonicContact NH1-OD2 3.68Å; R166-D234 PolarHBondContact NH1-OD2 2.85Å; R166-D234 IonicContact NH2-OD2 2.76Å; R166-D234 PolarHBondContact NH2-OD2 3.36Å
167	Y	98.8	Very high	96.2	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125	-173.9	-53	-87	0	0	0	110.3	H162 I163 F185 D186 V193 L195 D234 F236 T245	H162-Y167 CarbonylContact C-O 3.53Å; H162-Y167 WeakPolarHBondContact CA-O 3.17Å; I163-Y167 PolarHBondContact N-O 3.25Å; I163-Y167 PolarHBondContact O-N 3.13Å; Y167-F185 CarbonylContact C-O 3.55Å; Y167-F185 WeakPolarHBondContact CA-O 3.23Å; Y167-D186 HydrophobicContact CD1-CB 3.82Å; Y167-D186 HydrophobicContact CE1-CB 3.83Å; Y167-D186 WeakPolarHBondContact CE1-OD2 3.45Å; Y167-V193 HydrophobicContact CD1-CG2 3.95Å; Y167-V193 HydrophobicContact CE1-CG2 4.17Å; Y167-L195 HydrophobicContact CD1-CD1 4.23Å; Y167-L195 HydrophobicContact CD2-CD1 3.92Å; Y167-L195 HydrophobicContact CG-CD1 3.74Å; Y167-D234 PolarHBondContact OH-OD2 2.82Å; Y167-F236 HydrophobicContact CD2-CE1 4.2Å; Y167-F236 AromaticContact CD2-CZ 3.82Å; Y167-F236 HydrophobicContact CD2-CZ 3.82Å; Y167-F236 HydrophobicContact CE2-CD1 4.45Å; Y167-F236 AromaticContact CE2-CE1 3.38Å; Y167-F236 HydrophobicContact CE2-CE1 3.38Å; Y167-F236 AromaticContact CE2-CZ 3.46Å; Y167-F236 HydrophobicContact CE2-CZ 3.46Å; Y167-F236 VanDerWaalsContact CE2-CZ 3.46Å; Y167-F236 AromaticContact CZ-CE1 3.94Å; Y167-T245 HydrophobicContact CD1-CG2 4.45Å; Y167-T245 HydrophobicContact CE1-CG2 3.81Å; Y167-T245 HydrophobicContact CE2-CG2 4.39Å
168	E	98.7	Very high	95.7	Very high	31 Å²	31	41.1 Å²	41.1	15%	0.145	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.7	173.6	179.9	-179.6	165.6	0	0	110.7	F128 H160 L170 A184 F185 H187	F128-E168 HydrophobicContact CD1-CB 3.95Å; F128-E168 HydrophobicContact CD1-CG 4.5Å; F128-E168 HydrophobicContact CE1-CB 3.59Å; F128-E168 HydrophobicContact CE1-CG 3.65Å; F128-E168 HydrophobicContact CE2-CB 4.46Å; F128-E168 HydrophobicContact CE2-CG 4.4Å; F128-E168 HydrophobicContact CZ-CB 3.86Å; F128-E168 HydrophobicContact CZ-CG 3.58Å; H160-E168 IonicContact CE1-OE1 3.68Å; H160-E168 IonicContact CG-OE1 2.76Å; H160-E168 IonicContact ND1-OE1 3.86Å; H160-E168 PolarHBondContact ND1-OE1 2.84Å; E168-L170 HydrophobicContact CG-CD2 3.95Å; E168-L170 PolarHBondContact O-N 2.92Å; E168-L170 WeakPolarHBondContact OE1-CD2 3.43Å; E168-A184 CarbonylContact O-C 3.53Å; E168-A184 WeakPolarHBondContact O-CA 3.11Å; E168-A184 VanDerWaalsContact O-CB 3.23Å; E168-A184 WeakPolarHBondContact O-CB 3.24Å; E168-F185 HydrophobicContact CB-CB 4.44Å; E168-F185 PolarHBondContact N-O 3Å; E168-F185 PolarHBondContact O-N 2.83Å; E168-F185 VanDerWaalsContact O-N 3.11Å; E168-H187 IonicContact OE2-CE1 3.99Å; E168-H187 IonicContact OE2-NE2 3.92Å; E168-H187 PolarHBondContact OE2-NE2 3.45Å
169	V	98.6	Very high	95.4	Very high	4 Å²	4	40 Å²	40	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	113.2	177	180	0	0	0	0	110.3	L157 V158 H160 D161 I163 I182	L157-V169 HydrophobicContact CB-CG1 4.5Å; L157-V169 HydrophobicContact CD2-CG1 4.11Å; L157-V169 HydrophobicContact CD2-CG2 4.25Å; V158-V169 WeakPolarHBondContact O-CB 3.34Å; H160-V169 PolarHBondContact N-O 3.48Å; D161-V169 WeakPolarHBondContact O-CG2 3.35Å; D161-V169 PolarHBondContact O-N 2.93Å; I163-V169 HydrophobicContact CD1-CG2 4.11Å; I163-V169 HydrophobicContact CG1-CG2 3.78Å; V169-I182 HydrophobicContact CB-CD1 4.25Å; V169-I182 HydrophobicContact CG1-CD1 4.08Å; V169-I182 HydrophobicContact CG2-CD1 3.83Å
170	L	98.4	Very high	95.3	Very high	43 Å²	43	37.3 Å²	37.3	23%	0.225	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-50.5	-179	-60.2	175.5	0	0	0	113.6	V159 E168 K183 F185 Y192	V159-L170 WeakPolarHBondContact CG1-O 3.47Å; E168-L170 HydrophobicContact CG-CD2 3.95Å; E168-L170 PolarHBondContact O-N 2.92Å; E168-L170 WeakPolarHBondContact OE1-CD2 3.43Å; L170-K183 WeakPolarHBondContact CB-O 3.14Å; L170-K183 HydrophobicContact CD1-CG 4.47Å; L170-K183 PolarHBondContact N-O 3.39Å; L170-K183 VanDerWaalsContact N-O 3.14Å; L170-F185 HydrophobicContact CD1-CB 4.07Å; L170-Y192 HydrophobicContact CD1-CD1 3.83Å; L170-Y192 HydrophobicContact CD1-CE1 3.52Å
171	K	97.5	Very high	95.3	Very high	142 Å²	142	34.7 Å²	34.7	62%	0.617	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-158.7	137	-174.2	178.4	170.6	179.9	176.4	0	111.7	I173 I182 K183	K171-I173 PolarHBondContact O-N 3.16Å; K171-I182 CarbonylContact O-C 3.52Å; K171-I182 VanDerWaalsContact O-CA 3.28Å; K171-I182 WeakPolarHBondContact O-CA 3Å; K171-K183 PolarHBondContact N-O 3.2Å; K171-K183 PolarHBondContact O-N 2.94Å
172	V	97.1	Very high	95.3	Very high	54 Å²	54	34.5 Å²	34.5	33%	0.327	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.9	166.9	-173.4	0	0	0	0	110	L157 G174 K175 I182	L157-V172 HydrophobicContact CD1-CG2 3.68Å; V172-G174 WeakPolarHBondContact CG1-O 3.3Å; V172-K175 HydrophobicContact CG1-CD 4.3Å; V172-K175 HydrophobicContact CG1-CG 3.62Å; V172-I182 HydrophobicContact CG2-CG2 4.25Å
173	I	95.3	Very high	95.3	Very high	88 Å²	88	37.5 Å²	37.5	45%	0.451	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-13.4	178	61.5	177.1	0	0	0	113	K171 V181 K183 A194 L248	K171-I173 PolarHBondContact O-N 3.16Å; I173-V181 HydrophobicContact CD1-CG1 4Å; I173-V181 HydrophobicContact CG1-CB 4.21Å; I173-V181 HydrophobicContact CG1-CG1 3.85Å; I173-V181 WeakPolarHBondContact CG1-O 3.32Å; I173-V181 PolarHBondContact N-O 2.79Å; I173-K183 HydrophobicContact CD1-CB 4.48Å; I173-K183 HydrophobicContact CG2-CB 3.87Å; I173-A194 HydrophobicContact CD1-CB 4.02Å; I173-L248 HydrophobicContact CD1-CD1 3.95Å
174	G	92.8	Very high	95.3	Very high	29 Å²	29	37.4 Å²	37.4	30%	0.299	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	150.9	169.2	0	0	0	0	0	112.4	V172 V181	V172-G174 WeakPolarHBondContact CG1-O 3.3Å; G174-V181 PolarHBondContact N-O 3.48Å; G174-V181 PolarHBondContact O-N 3.09Å
175	K	90.7	Very high	95.3	Very high	140 Å²	140	38.5 Å²	38.5	61%	0.609	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137	144.1	168.9	-63.5	-162.8	177.7	-162	0	108.9	V172 Q180	V172-K175 HydrophobicContact CG1-CD 4.3Å; V172-K175 HydrophobicContact CG1-CG 3.62Å; K175-Q180 HydrophobicContact CD-CG 4.36Å; K175-Q180 HydrophobicContact CG-CB 4.5Å; K175-Q180 HydrophobicContact CG-CG 4.12Å
176	G	85.9	Confident	95.3	Very high	28 Å²	28	38.6 Å²	38.6	29%	0.289	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	-178.7	-179.9	0	0	0	0	0	112.3	F178 G179	G176-F178 PolarHBondContact O-N 2.9Å; G176-F178 VanDerWaalsContact O-N 3.17Å; G176-G179 PolarHBondContact N-O 3.11Å; G176-G179 PolarHBondContact O-N 2.97Å; G176-G179 VanDerWaalsContact O-N 3.09Å
177	S	85.3	Confident	95.3	Very high	30 Å²	30	38.8 Å²	38.8	21%	0.21	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-30	175.8	50.7	0	0	0	0	113.3	G179 F204	S177-G179 VanDerWaalsContact C-N 3.29Å; S177-G179 PolarHBondContact O-N 3.37Å; S177-F204 WeakPolarHBondContact O-CE2 3.46Å; S177-F204 WeakPolarHBondContact O-CZ 3.44Å
178	F	85.6	Confident	95.3	Very high	26 Å²	26	41.2 Å²	41.2	11%	0.114	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.6	-179.2	-55.7	-89.4	0	0	0	114	T2 G176 V198 R199 F204	T2-F178 HydrophobicContact CG2-CE2 3.91Å; G176-F178 PolarHBondContact O-N 2.9Å; G176-F178 VanDerWaalsContact O-N 3.17Å; F178-V198 WeakPolarHBondContact O-CA 3.46Å; F178-R199 PolarHBondContact O-N 2.83Å; F178-F204 HydrophobicContact CB-CD1 4.41Å; F178-F204 AromaticContact CD1-CD1 3.73Å; F178-F204 HydrophobicContact CD1-CD1 3.73Å; F178-F204 AromaticContact CD1-CE1 3.81Å; F178-F204 HydrophobicContact CD1-CE1 3.81Å; F178-F204 HydrophobicContact CE1-CD1 4.43Å; F178-F204 HydrophobicContact CE1-CE1 4.26Å; F178-F204 HydrophobicContact CG-CD1 4.35Å; F178-F204 HydrophobicContact CG-CE1 4.28Å
179	G	92.5	Very high	95.2	Very high	8 Å²	8	45.7 Å²	45.7	8%	0.082	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.9	-141.8	-171.6	0	0	0	0	0	112.5	G176 S177 L197	G176-G179 PolarHBondContact N-O 3.11Å; G176-G179 PolarHBondContact O-N 2.97Å; G176-G179 VanDerWaalsContact O-N 3.09Å; S177-G179 VanDerWaalsContact C-N 3.29Å; S177-G179 PolarHBondContact O-N 3.37Å; G179-L197 WeakPolarHBondContact CA-O 3.47Å
180	Q	95.7	Very high	95.1	Very high	21 Å²	21	50.3 Å²	50.3	10%	0.098	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.3	-171.3	-52.2	-171.1	30.4	0	0	111.3	L157 K175 K196 L197	L157-Q180 HydrophobicContact CD1-CB 4.46Å; L157-Q180 VanDerWaalsContact CD1-OE1 3.3Å; K175-Q180 HydrophobicContact CD-CG 4.36Å; K175-Q180 HydrophobicContact CG-CB 4.5Å; K175-Q180 HydrophobicContact CG-CG 4.12Å; Q180-K196 CarbonylContact O-C 3.57Å; Q180-K196 WeakPolarHBondContact O-CA 3.1Å; Q180-L197 PolarHBondContact N-O 2.87Å; Q180-L197 PolarHBondContact O-N 2.81Å
181	V	97.8	Very high	95.1	Very high	40 Å²	40	52.2 Å²	52.2	24%	0.242	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.3	172.8	-171.1	0	0	0	0	108.6	I173 G174 A194 L195 K196	I173-V181 HydrophobicContact CD1-CG1 4Å; I173-V181 HydrophobicContact CG1-CB 4.21Å; I173-V181 HydrophobicContact CG1-CG1 3.85Å; I173-V181 WeakPolarHBondContact CG1-O 3.32Å; I173-V181 PolarHBondContact N-O 2.79Å; G174-V181 PolarHBondContact N-O 3.48Å; G174-V181 PolarHBondContact O-N 3.09Å; V181-A194 HydrophobicContact CG1-CB 4.24Å; V181-L195 CarbonylContact C-O 3.58Å; V181-L195 WeakPolarHBondContact CA-O 3.37Å; V181-K196 HydrophobicContact CG2-CB 4.18Å; V181-K196 HydrophobicContact CG2-CG 4.09Å
182	I	98.4	Very high	95.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.8	177.6	63.3	174.5	0	0	0	111.2	L157 I163 V169 K171 V172 A184 A194 L195 L197	L157-I182 HydrophobicContact CD1-CG2 3.37Å; L157-I182 HydrophobicContact CD2-CD1 4.4Å; L157-I182 HydrophobicContact CD2-CG2 4.11Å; L157-I182 HydrophobicContact CG-CG2 4.4Å; I163-I182 HydrophobicContact CG1-CD1 4.46Å; V169-I182 HydrophobicContact CB-CD1 4.25Å; V169-I182 HydrophobicContact CG1-CD1 4.08Å; V169-I182 HydrophobicContact CG2-CD1 3.83Å; K171-I182 CarbonylContact O-C 3.52Å; K171-I182 VanDerWaalsContact O-CA 3.28Å; K171-I182 WeakPolarHBondContact O-CA 3Å; V172-I182 HydrophobicContact CG2-CG2 4.25Å; I182-A184 HydrophobicContact CD1-CB 4.09Å; I182-A184 HydrophobicContact CG1-CB 4.26Å; I182-A194 CarbonylContact O-C 3.59Å; I182-A194 WeakPolarHBondContact O-CA 3.44Å; I182-L195 HydrophobicContact CD1-CB 4.33Å; I182-L195 HydrophobicContact CD1-CD2 4.4Å; I182-L195 HydrophobicContact CG1-CB 3.8Å; I182-L195 HydrophobicContact CG1-CD2 4.39Å; I182-L195 WeakPolarHBondContact CG1-O 3.23Å; I182-L195 PolarHBondContact N-O 3.35Å; I182-L195 PolarHBondContact O-N 3.42Å; I182-L197 HydrophobicContact CD1-CD1 4.08Å; I182-L197 HydrophobicContact CG1-CD1 4.1Å; I182-L197 HydrophobicContact CG2-CD1 4.26Å
183	K	98.6	Very high	95.2	Very high	63 Å²	63	48.8 Å²	48.8	27%	0.274	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.7	151.2	178.4	177.9	178.2	-175.3	0	106.9	L170 K171 I173 Y192 L248	L170-K183 WeakPolarHBondContact CB-O 3.14Å; L170-K183 HydrophobicContact CD1-CG 4.47Å; L170-K183 PolarHBondContact N-O 3.39Å; L170-K183 VanDerWaalsContact N-O 3.14Å; K171-K183 PolarHBondContact N-O 3.2Å; K171-K183 PolarHBondContact O-N 2.94Å; I173-K183 HydrophobicContact CD1-CB 4.48Å; I173-K183 HydrophobicContact CG2-CB 3.87Å; K183-Y192 HydrophobicContact CD-CD1 4.43Å; K183-Y192 HydrophobicContact CG-CD1 4.5Å; K183-L248 HydrophobicContact CD-CD2 3.9Å; K183-L248 HydrophobicContact CG-CD2 3.94Å
184	A	98.8	Very high	95.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	161.9	174	0	0	0	0	0	110.9	E168 I182 Y192 V193 L195	E168-A184 CarbonylContact O-C 3.53Å; E168-A184 WeakPolarHBondContact O-CA 3.11Å; E168-A184 VanDerWaalsContact O-CB 3.23Å; E168-A184 WeakPolarHBondContact O-CB 3.24Å; I182-A184 HydrophobicContact CD1-CB 4.09Å; I182-A184 HydrophobicContact CG1-CB 4.26Å; A184-Y192 WeakPolarHBondContact O-CA 3.37Å; A184-V193 HydrophobicContact CB-CG2 4.1Å; A184-V193 PolarHBondContact N-O 3.41Å; A184-V193 PolarHBondContact O-N 3.22Å; A184-L195 HydrophobicContact CB-CB 4.41Å
185	F	98.7	Very high	95.7	Very high	32 Å²	32	43.8 Å²	43.8	14%	0.14	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125	168	-172	-104.8	0	0	0	109.7	Y167 E168 L170 H187 Q190 Y192	Y167-F185 CarbonylContact C-O 3.55Å; Y167-F185 WeakPolarHBondContact CA-O 3.23Å; E168-F185 HydrophobicContact CB-CB 4.44Å; E168-F185 PolarHBondContact N-O 3Å; E168-F185 PolarHBondContact O-N 2.83Å; E168-F185 VanDerWaalsContact O-N 3.11Å; L170-F185 HydrophobicContact CD1-CB 4.07Å; F185-H187 AromaticContact CD1-CD2 3.81Å; F185-H187 AromaticContact CD1-CE1 3.83Å; F185-H187 AromaticContact CD1-NE2 3.68Å; F185-H187 PolarHBondContact O-N 3.45Å; F185-Q190 HydrophobicContact CZ-CB 4.19Å; F185-Y192 HydrophobicContact CB-CD1 4.19Å; F185-Y192 HydrophobicContact CB-CE1 4.24Å; F185-Y192 AromaticContact CD2-CD1 3.73Å; F185-Y192 HydrophobicContact CD2-CD1 3.73Å; F185-Y192 HydrophobicContact CD2-CD2 4.42Å; F185-Y192 AromaticContact CD2-CE1 3.7Å; F185-Y192 HydrophobicContact CD2-CE1 3.7Å; F185-Y192 HydrophobicContact CD2-CE2 4.36Å; F185-Y192 HydrophobicContact CD2-CG 4.12Å; F185-Y192 HydrophobicContact CG-CD1 4.45Å; F185-Y192 HydrophobicContact CG-CE1 4.37Å
186	D	98.7	Very high	96	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	103.9	178.4	-176.5	-14.6	0	0	0	109.7	R166 Y167 K188 Y189 Q190 Q191 V193	R166-D186 WeakPolarHBondContact CG-OD1 3.41Å; R166-D186 IonicContact CZ-OD1 3.97Å; R166-D186 IonicContact CZ-OD2 3.25Å; R166-D186 IonicContact NE-OD1 2.77Å; R166-D186 PolarHBondContact NE-OD1 3.21Å; R166-D186 IonicContact NE-OD2 2.71Å; R166-D186 PolarHBondContact NE-OD2 2.96Å; R166-D186 IonicContact NH2-OD1 2.73Å; R166-D186 IonicContact NH2-OD2 2.74Å; R166-D186 PolarHBondContact NH2-OD2 3.05Å; Y167-D186 HydrophobicContact CD1-CB 3.82Å; Y167-D186 HydrophobicContact CE1-CB 3.83Å; Y167-D186 WeakPolarHBondContact CE1-OD2 3.45Å; D186-K188 PolarHBondContact O-N 3.17Å; D186-K188 VanDerWaalsContact OD1-CB 3.31Å; D186-K188 WeakPolarHBondContact OD1-CB 3.44Å; D186-K188 PolarHBondContact OD1-N 2.79Å; D186-Y189 PolarHBondContact O-N 3.09Å; D186-Y189 PolarHBondContact OD1-N 2.92Å; D186-Y189 WeakPolarHBondContact OD2-CD2 3.46Å; D186-Q190 WeakPolarHBondContact O-CA 3.3Å; D186-Q190 PolarHBondContact O-N 2.62Å; D186-Q191 HydrophobicContact CB-CG 4.29Å; D186-Q191 PolarHBondContact N-O 3.13Å; D186-Q191 PolarHBondContact O-N 2.97Å; D186-V193 HydrophobicContact CB-CG1 4.33Å
187	H	98.3	Very high	96.6	Very high	31 Å²	31	36.8 Å²	36.8	14%	0.144	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.5	-177	-77.6	-92.8	0	0	0	114.2	N96 F127 F128 R166 E168 F185 Q190	N96-H187 WeakPolarHBondContact CB-O 3.44Å; N96-H187 PolarHBondContact ND2-O 3.04Å; N96-H187 VanDerWaalsContact ND2-O 3.09Å; F127-H187 HydrophobicContact CB-CB 3.91Å; F128-H187 HydrophobicContact CB-CB 4.01Å; F128-H187 AromaticContact CD2-CD2 3.66Å; F128-H187 AromaticContact CD2-CE1 3.6Å; F128-H187 AromaticContact CD2-NE2 3.31Å; F128-H187 VanDerWaalsContact CD2-NE2 3.31Å; F128-H187 WeakPolarHBondContact CD2-NE2 3.32Å; F128-H187 AromaticContact CE2-NE2 3.66Å; F128-H187 AromaticContact CG-CD2 3.55Å; F128-H187 AromaticContact CG-NE2 3.68Å; R166-H187 WeakPolarHBondContact O-CB 3.38Å; R166-H187 PolarHBondContact O-N 2.79Å; E168-H187 IonicContact OE2-CE1 3.99Å; E168-H187 IonicContact OE2-NE2 3.92Å; E168-H187 PolarHBondContact OE2-NE2 3.45Å; F185-H187 AromaticContact CD1-CD2 3.81Å; F185-H187 AromaticContact CD1-CE1 3.83Å; F185-H187 AromaticContact CD1-NE2 3.68Å; F185-H187 PolarHBondContact O-N 3.45Å; H187-Q190 PolarHBondContact O-NE2 2.97Å
188	K	97.3	Very high	97.2	Very high	53 Å²	53	35.5 Å²	35.5	23%	0.23	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-48.9	173.1	-178.3	-174.1	-178.5	-164.4	0	111.4	F127 R166 D186	F127-K188 HydrophobicContact CD1-CB 3.9Å; F127-K188 HydrophobicContact CD1-CG 4.2Å; F127-K188 HydrophobicContact CD2-CB 4.26Å; F127-K188 HydrophobicContact CE1-CB 3.92Å; F127-K188 HydrophobicContact CE1-CD 4.37Å; F127-K188 HydrophobicContact CE1-CG 3.7Å; F127-K188 HydrophobicContact CE2-CB 4.27Å; F127-K188 HydrophobicContact CE2-CD 4.27Å; F127-K188 HydrophobicContact CE2-CG 4.32Å; F127-K188 HydrophobicContact CG-CB 4.08Å; F127-K188 HydrophobicContact CZ-CB 4.1Å; F127-K188 HydrophobicContact CZ-CD 3.92Å; F127-K188 HydrophobicContact CZ-CG 3.77Å; R166-K188 HydrophobicContact CG-CB 4.18Å; D186-K188 PolarHBondContact O-N 3.17Å; D186-K188 VanDerWaalsContact OD1-CB 3.31Å; D186-K188 WeakPolarHBondContact OD1-CB 3.44Å; D186-K188 PolarHBondContact OD1-N 2.79Å
189	Y	96.9	Very high	97.7	Very high	124 Å²	124	36.4 Å²	36.4	49%	0.486	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	1.7	-175.3	-64.5	-60.8	0	0	0	114.3	D186 Q191	D186-Y189 PolarHBondContact O-N 3.09Å; D186-Y189 PolarHBondContact OD1-N 2.92Å; D186-Y189 WeakPolarHBondContact OD2-CD2 3.46Å; Y189-Q191 VanDerWaalsContact C-N 3.33Å; Y189-Q191 PolarHBondContact O-N 2.8Å
190	Q	97.6	Very high	97.9	Very high	102 Å²	102	38.5 Å²	38.5	48%	0.477	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	43.8	176.5	-62.6	-65.9	-51	0	0	113.4	F185 D186 H187	F185-Q190 HydrophobicContact CZ-CB 4.19Å; D186-Q190 WeakPolarHBondContact O-CA 3.3Å; D186-Q190 PolarHBondContact O-N 2.62Å; H187-Q190 PolarHBondContact O-NE2 2.97Å
191	Q	97.7	Very high	97.9	Very high	83 Å²	83	40.9 Å²	40.9	39%	0.388	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156	-176.8	62.2	177	-26.1	0	0	112.8	D186 Y189 V193	D186-Q191 HydrophobicContact CB-CG 4.29Å; D186-Q191 PolarHBondContact N-O 3.13Å; D186-Q191 PolarHBondContact O-N 2.97Å; Y189-Q191 VanDerWaalsContact C-N 3.33Å; Y189-Q191 PolarHBondContact O-N 2.8Å; Q191-V193 HydrophobicContact CG-CG1 4.24Å
192	Y	98.5	Very high	97.7	Very high	123 Å²	123	47.8 Å²	47.8	48%	0.482	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	133.4	172	-64.7	-74.8	0	0	0	111.3	L170 K183 A184 F185	L170-Y192 HydrophobicContact CD1-CD1 3.83Å; L170-Y192 HydrophobicContact CD1-CE1 3.52Å; K183-Y192 HydrophobicContact CD-CD1 4.43Å; K183-Y192 HydrophobicContact CG-CD1 4.5Å; A184-Y192 WeakPolarHBondContact O-CA 3.37Å; F185-Y192 HydrophobicContact CB-CD1 4.19Å; F185-Y192 HydrophobicContact CB-CE1 4.24Å; F185-Y192 AromaticContact CD2-CD1 3.73Å; F185-Y192 HydrophobicContact CD2-CD1 3.73Å; F185-Y192 HydrophobicContact CD2-CD2 4.42Å; F185-Y192 AromaticContact CD2-CE1 3.7Å; F185-Y192 HydrophobicContact CD2-CE1 3.7Å; F185-Y192 HydrophobicContact CD2-CE2 4.36Å; F185-Y192 HydrophobicContact CD2-CG 4.12Å; F185-Y192 HydrophobicContact CG-CD1 4.45Å; F185-Y192 HydrophobicContact CG-CE1 4.37Å
193	V	98.8	Very high	97.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	159.4	179.6	-60.5	0	0	0	0	111.1	Y167 A184 D186 Q191 L233	Y167-V193 HydrophobicContact CD1-CG2 3.95Å; Y167-V193 HydrophobicContact CE1-CG2 4.17Å; A184-V193 HydrophobicContact CB-CG2 4.1Å; A184-V193 PolarHBondContact N-O 3.41Å; A184-V193 PolarHBondContact O-N 3.22Å; D186-V193 HydrophobicContact CB-CG1 4.33Å; Q191-V193 HydrophobicContact CG-CG1 4.24Å; V193-L233 HydrophobicContact CG1-CD1 3.82Å
194	A	98.7	Very high	97.1	Very high	12 Å²	12	50 Å²	50	10%	0.099	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128	160.4	0	0	0	0	0	108.7	I173 V181 I182 T245 F246 L248	I173-A194 HydrophobicContact CD1-CB 4.02Å; V181-A194 HydrophobicContact CG1-CB 4.24Å; I182-A194 CarbonylContact O-C 3.59Å; I182-A194 WeakPolarHBondContact O-CA 3.44Å; A194-T245 CarbonylContact O-C 3.51Å; A194-T245 WeakPolarHBondContact O-CA 3.44Å; A194-F246 HydrophobicContact CB-CB 4.36Å; A194-F246 PolarHBondContact N-O 3.26Å; A194-F246 PolarHBondContact O-N 3.19Å; A194-L248 HydrophobicContact CB-CD1 4.1Å
195	L	98.7	Very high	97	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.2	-179.7	-170.4	164.5	0	0	0	109.1	I163 Y167 V181 I182 A184 L197 F236 C243 I244 T245	I163-L195 HydrophobicContact CB-CD1 4.27Å; I163-L195 HydrophobicContact CG2-CD1 4.07Å; Y167-L195 HydrophobicContact CD1-CD1 4.23Å; Y167-L195 HydrophobicContact CD2-CD1 3.92Å; Y167-L195 HydrophobicContact CG-CD1 3.74Å; V181-L195 CarbonylContact C-O 3.58Å; V181-L195 WeakPolarHBondContact CA-O 3.37Å; I182-L195 HydrophobicContact CD1-CB 4.33Å; I182-L195 HydrophobicContact CD1-CD2 4.4Å; I182-L195 HydrophobicContact CG1-CB 3.8Å; I182-L195 HydrophobicContact CG1-CD2 4.39Å; I182-L195 WeakPolarHBondContact CG1-O 3.23Å; I182-L195 PolarHBondContact N-O 3.35Å; I182-L195 PolarHBondContact O-N 3.42Å; A184-L195 HydrophobicContact CB-CB 4.41Å; L195-L197 HydrophobicContact CD2-CD1 3.49Å; L195-L197 VanDerWaalsContact CD2-CD1 3.49Å; L195-L197 HydrophobicContact CD2-CG 3.63Å; L195-F236 HydrophobicContact CD1-CZ 4.27Å; L195-C243 HydrophobicContact CD2-CB 4.31Å; L195-I244 CarbonylContact C-O 3.59Å; L195-I244 WeakPolarHBondContact CA-O 3.23Å; L195-T245 HydrophobicContact CB-CG2 4.11Å; L195-T245 HydrophobicContact CD1-CG2 3.91Å; L195-T245 HydrophobicContact CG-CG2 3.76Å
196	K	98.3	Very high	96.7	Very high	16 Å²	16	59 Å²	59	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.2	176	-173.5	179.3	-160.7	178.2	0	108.3	Q180 V181 E211 C243 I244 F246 D313	Q180-K196 CarbonylContact O-C 3.57Å; Q180-K196 WeakPolarHBondContact O-CA 3.1Å; V181-K196 HydrophobicContact CG2-CB 4.18Å; V181-K196 HydrophobicContact CG2-CG 4.09Å; K196-E211 IonicContact NZ-OE1 3.77Å; K196-E211 PolarHBondContact NZ-OE1 2.74Å; K196-E211 IonicContact NZ-OE2 3.63Å; K196-E211 PolarHBondContact NZ-OE2 2.94Å; K196-C243 WeakPolarHBondContact O-CA 3.31Å; K196-I244 HydrophobicContact CB-CB 4.49Å; K196-I244 PolarHBondContact N-O 2.97Å; K196-I244 PolarHBondContact O-N 2.69Å; K196-F246 HydrophobicContact CB-CE2 3.88Å; K196-F246 HydrophobicContact CD-CE2 4.21Å; K196-D313 IonicContact NZ-OD1 3.64Å; K196-D313 PolarHBondContact NZ-OD1 3.46Å
197	L	98.1	Very high	96.3	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	112.2	167.3	-59.5	93	0	0	0	107.8	Y155 L157 I163 G179 Q180 I182 L195	Y155-L197 HydrophobicContact CD1-CD2 3.82Å; Y155-L197 HydrophobicContact CG-CD2 4.03Å; L157-L197 HydrophobicContact CD2-CD1 4.07Å; L157-L197 HydrophobicContact CD2-CD2 4.15Å; I163-L197 HydrophobicContact CD1-CD2 3.98Å; G179-L197 WeakPolarHBondContact CA-O 3.47Å; Q180-L197 PolarHBondContact N-O 2.87Å; Q180-L197 PolarHBondContact O-N 2.81Å; I182-L197 HydrophobicContact CD1-CD1 4.08Å; I182-L197 HydrophobicContact CG1-CD1 4.1Å; I182-L197 HydrophobicContact CG2-CD1 4.26Å; L195-L197 HydrophobicContact CD2-CD1 3.49Å; L195-L197 VanDerWaalsContact CD2-CD1 3.49Å; L195-L197 HydrophobicContact CD2-CG 3.63Å
198	V	97.8	Very high	96.2	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.7	178.3	179.4	0	0	0	0	108.6	F178 F204 A208 H241 K242	F178-V198 WeakPolarHBondContact O-CA 3.46Å; V198-F204 HydrophobicContact CG1-CB 3.71Å; V198-A208 HydrophobicContact CB-CB 4.34Å; V198-A208 HydrophobicContact CG1-CB 4.03Å; V198-A208 HydrophobicContact CG2-CB 3.62Å; V198-H241 PolarHBondContact O-ND1 3.15Å; V198-K242 HydrophobicContact CB-CB 4.05Å; V198-K242 VanDerWaalsContact CB-O 3.3Å; V198-K242 WeakPolarHBondContact CB-O 3.34Å; V198-K242 HydrophobicContact CG2-CB 4.14Å; V198-K242 WeakPolarHBondContact CG2-O 3.3Å; V198-K242 PolarHBondContact N-O 3.34Å
199	R	97	Very high	96.2	Very high	45 Å²	45	59.6 Å²	59.6	17%	0.17	26%	0.259	C	S	.	.			trans	-57.2	140	177.1	-171.1	-175.2	-91.2	-161	-7.9	111.7	N152 G153 S154 F178 E201 F204 H205	N152-R199 VanDerWaalsContact CB-NH2 3.34Å; N152-R199 WeakPolarHBondContact O-CD 3.23Å; N152-R199 WeakPolarHBondContact O-CG 3.36Å; N152-R199 VanDerWaalsContact O-CZ 3.22Å; N152-R199 PolarHBondContact O-NE 3.48Å; N152-R199 PolarHBondContact O-NH1 3.45Å; G153-R199 WeakPolarHBondContact O-CG 3.31Å; S154-R199 PolarHBondContact OG-NE 2.85Å; S154-R199 PolarHBondContact OG-NH2 2.78Å; F178-R199 PolarHBondContact O-N 2.83Å; R199-E201 WeakPolarHBondContact CD-OE1 3.34Å; R199-E201 HydrophobicContact CG-CG 4.2Å; R199-E201 IonicContact CZ-OE1 2.73Å; R199-E201 IonicContact NE-OE1 2.77Å; R199-E201 IonicContact NH1-OE1 3.18Å; R199-E201 PolarHBondContact NH1-OE1 3.18Å; R199-E201 VanDerWaalsContact NH1-OE1 3.15Å; R199-E201 PolarHBondContact O-N 3.24Å; R199-F204 HydrophobicContact CB-CD2 3.98Å; R199-F204 HydrophobicContact CB-CG 4.46Å; R199-F204 HydrophobicContact CG-CD2 4.38Å; R199-H205 PolarHBondContact O-CD2 2.85Å; R199-H205 PolarHBondContact O-NE2 3.27Å
200	N	96.6	Very high	96	Very high	51 Å²	51	56 Å²	56	27%	0.273	25%	0.247	S	C	.	.	S	Bend	trans	-73.9	62	-177.6	-173.1	12.4	0	0	0	112.2	D149 G153	D149-N200 VanDerWaalsContact OD2-CB 3.31Å; D149-N200 WeakPolarHBondContact OD2-CB 3.29Å; D149-N200 PolarHBondContact OD2-ND2 3Å; G153-N200 WeakPolarHBondContact O-CB 3.37Å; G153-N200 PolarHBondContact O-N 3.5Å
201	E	94.9	Very high	96	Very high	71 Å²	71	51.4 Å²	51.4	33%	0.332	23%	0.226	S	C	.	.	S	Bend	trans	-130.3	139.6	172.4	-59.1	178.7	-146.9	0	0	110.2	R199 R203 F204 H205	R199-E201 WeakPolarHBondContact CD-OE1 3.34Å; R199-E201 HydrophobicContact CG-CG 4.2Å; R199-E201 IonicContact CZ-OE1 2.73Å; R199-E201 IonicContact NE-OE1 2.77Å; R199-E201 IonicContact NH1-OE1 3.18Å; R199-E201 PolarHBondContact NH1-OE1 3.18Å; R199-E201 VanDerWaalsContact NH1-OE1 3.15Å; R199-E201 PolarHBondContact O-N 3.24Å; E201-R203 PolarHBondContact O-N 2.66Å; E201-F204 HydrophobicContact CB-CD2 3.91Å; E201-F204 HydrophobicContact CG-CD2 4.09Å; E201-F204 PolarHBondContact O-N 2.82Å; E201-F204 WeakPolarHBondContact OE1-CE2 3.35Å; E201-F204 WeakPolarHBondContact OE2-CE2 3.47Å; E201-H205 PolarHBondContact O-N 3.41Å
202	K	93.6	Very high	95.9	Very high	186 Å²	186	48.3 Å²	48.3	81%	0.809	21%	0.211	S	C	*	.	H	α-helix	trans	-52.9	-27.2	177.7	-64.7	-178	179.4	179.2	0	114	R206	K202-R206 PolarHBondContact O-N 3.4Å
203	R	91.1	Very high	95.8	Very high	92 Å²	92	47.8 Å²	47.8	35%	0.347	21%	0.209	S	C	.	.	H	α-helix	trans	-74.5	-43.8	176.5	-171.1	-164.1	175	168	6	112.2	E201 Q207	E201-R203 PolarHBondContact O-N 2.66Å; R203-Q207 PolarHBondContact O-N 3.49Å; R203-Q207 PolarHBondContact O-NE2 3.02Å
204	F	93.7	Very high	95.7	Very high	18 Å²	18	47.9 Å²	47.9	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-75.1	-32.8	179.3	-67.7	-60.3	0	0	0	111.4	S177 F178 V198 R199 E201 R206 Q207 A208	S177-F204 WeakPolarHBondContact O-CE2 3.46Å; S177-F204 WeakPolarHBondContact O-CZ 3.44Å; F178-F204 HydrophobicContact CB-CD1 4.41Å; F178-F204 AromaticContact CD1-CD1 3.73Å; F178-F204 HydrophobicContact CD1-CD1 3.73Å; F178-F204 AromaticContact CD1-CE1 3.81Å; F178-F204 HydrophobicContact CD1-CE1 3.81Å; F178-F204 HydrophobicContact CE1-CD1 4.43Å; F178-F204 HydrophobicContact CE1-CE1 4.26Å; F178-F204 HydrophobicContact CG-CD1 4.35Å; F178-F204 HydrophobicContact CG-CE1 4.28Å; V198-F204 HydrophobicContact CG1-CB 3.71Å; R199-F204 HydrophobicContact CB-CD2 3.98Å; R199-F204 HydrophobicContact CB-CG 4.46Å; R199-F204 HydrophobicContact CG-CD2 4.38Å; E201-F204 HydrophobicContact CB-CD2 3.91Å; E201-F204 HydrophobicContact CG-CD2 4.09Å; E201-F204 PolarHBondContact O-N 2.82Å; E201-F204 WeakPolarHBondContact OE1-CE2 3.35Å; E201-F204 WeakPolarHBondContact OE2-CE2 3.47Å; F204-R206 PolarHBondContact O-N 3.27Å; F204-Q207 PolarHBondContact O-N 2.76Å; F204-A208 PolarHBondContact O-N 3.49Å
205	H	95.4	Very high	95.7	Very high	39 Å²	39	47.6 Å²	47.6	18%	0.181	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-46.7	172.7	-73.1	-171.2	0	0	0	112.7	R199 E201 Q207 A208 D209 N240 K242	R199-H205 PolarHBondContact O-CD2 2.85Å; R199-H205 PolarHBondContact O-NE2 3.27Å; E201-H205 PolarHBondContact O-N 3.41Å; H205-Q207 VanDerWaalsContact C-N 3.34Å; H205-Q207 PolarHBondContact O-N 3.49Å; H205-A208 PolarHBondContact O-N 2.96Å; H205-D209 PolarHBondContact O-N 2.8Å; H205-N240 PolarHBondContact CE1-O 3.48Å; H205-N240 PolarHBondContact NE2-O 3.06Å; H205-K242 HydrophobicContact CB-CD 4.08Å
206	R	92.6	Very high	95.5	Very high	181 Å²	181	50.2 Å²	50.2	68%	0.683	22%	0.22	S	C	*	.	H	α-helix	trans	-63	-35.3	175.9	-73.6	-172.6	-69.5	163.3	-3	113.8	K202 F204 E210	K202-R206 PolarHBondContact O-N 3.4Å; F204-R206 PolarHBondContact O-N 3.27Å; R206-E210 PolarHBondContact O-N 3.14Å
207	Q	91.8	Very high	95.4	Very high	21 Å²	21	52.4 Å²	52.4	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-69.9	-37.2	174.9	-81.1	162.1	112.2	0	0	111.7	R203 F204 H205 E210 E211	R203-Q207 PolarHBondContact O-N 3.49Å; R203-Q207 PolarHBondContact O-NE2 3.02Å; F204-Q207 PolarHBondContact O-N 2.76Å; H205-Q207 VanDerWaalsContact C-N 3.34Å; H205-Q207 PolarHBondContact O-N 3.49Å; Q207-E210 PolarHBondContact O-N 2.85Å; Q207-E211 WeakPolarHBondContact O-CB 3.49Å; Q207-E211 PolarHBondContact O-N 2.94Å
208	A	95.9	Very high	95.2	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-68	-38	175.4	0	0	0	0	0	112.6	V198 F204 H205 E210 E211 I212 K242 I244	V198-A208 HydrophobicContact CB-CB 4.34Å; V198-A208 HydrophobicContact CG1-CB 4.03Å; V198-A208 HydrophobicContact CG2-CB 3.62Å; F204-A208 PolarHBondContact O-N 3.49Å; H205-A208 PolarHBondContact O-N 2.96Å; A208-E210 VanDerWaalsContact C-N 3.34Å; A208-E211 PolarHBondContact O-N 3.23Å; A208-I212 WeakPolarHBondContact O-CB 3.44Å; A208-I212 WeakPolarHBondContact O-CD1 3.31Å; A208-I212 WeakPolarHBondContact O-CG1 3.45Å; A208-I212 PolarHBondContact O-N 3.2Å; A208-K242 HydrophobicContact CB-CB 4.3Å; A208-K242 HydrophobicContact CB-CD 3.84Å; A208-I244 HydrophobicContact CB-CD1 4.4Å
209	D	95.7	Very high	95	Very high	76 Å²	76	56.9 Å²	56.9	41%	0.406	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-40.8	174.3	-71.2	-40.2	0	0	0	111.9	H205 R213 K242	H205-D209 PolarHBondContact O-N 2.8Å; D209-R213 WeakPolarHBondContact O-CB 3.36Å; D209-R213 PolarHBondContact O-N 3.46Å; D209-K242 VanDerWaalsContact CG-CE 3.48Å; D209-K242 VanDerWaalsContact CG-NZ 3.25Å; D209-K242 VanDerWaalsContact OD1-CE 3.24Å; D209-K242 WeakPolarHBondContact OD1-CE 3.34Å; D209-K242 IonicContact OD1-NZ 3.19Å; D209-K242 PolarHBondContact OD1-NZ 2.79Å; D209-K242 WeakPolarHBondContact OD2-CE 3.3Å; D209-K242 IonicContact OD2-NZ 3.22Å; D209-K242 PolarHBondContact OD2-NZ 2.97Å; D209-K242 VanDerWaalsContact OD2-NZ 3.13Å
210	E	94.1	Very high	94.7	Very high	50 Å²	50	61.7 Å²	61.7	23%	0.234	27%	0.265	C	S	.	.	H	α-helix	trans	-70.4	-37.6	174.9	-170.1	59	-162.3	0	0	112.2	R206 Q207 A208 R213 I214	R206-E210 PolarHBondContact O-N 3.14Å; Q207-E210 PolarHBondContact O-N 2.85Å; A208-E210 VanDerWaalsContact C-N 3.34Å; E210-R213 VanDerWaalsContact CD-NH2 3.34Å; E210-R213 PolarHBondContact O-N 3.36Å; E210-R213 IonicContact OE1-CZ 2.97Å; E210-R213 IonicContact OE1-NE 3.66Å; E210-R213 PolarHBondContact OE1-NE 2.87Å; E210-R213 IonicContact OE1-NH2 3.95Å; E210-R213 PolarHBondContact OE1-NH2 3.02Å; E210-R213 IonicContact OE2-CZ 3.13Å; E210-R213 IonicContact OE2-NE 2.64Å; E210-R213 PolarHBondContact OE2-NE 2.87Å; E210-R213 IonicContact OE2-NH2 3.64Å; E210-R213 PolarHBondContact OE2-NH2 3.09Å; E210-R213 VanDerWaalsContact OE2-NH2 3.16Å; E210-I214 HydrophobicContact CG-CD1 3.91Å; E210-I214 HydrophobicContact CG-CG1 4.45Å; E210-I214 WeakPolarHBondContact O-CB 3.33Å; E210-I214 VanDerWaalsContact O-CG1 3.3Å; E210-I214 WeakPolarHBondContact O-CG1 3.43Å; E210-I214 PolarHBondContact O-N 3.28Å
211	E	96.2	Very high	94.5	Very high	5 Å²	5	62.7 Å²	62.7	2%	0.023	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-46	173.1	-175.3	170.5	-165.8	0	0	111.5	K196 Q207 A208 I214 L215 F314 G315	K196-E211 IonicContact NZ-OE1 3.77Å; K196-E211 PolarHBondContact NZ-OE1 2.74Å; K196-E211 IonicContact NZ-OE2 3.63Å; K196-E211 PolarHBondContact NZ-OE2 2.94Å; Q207-E211 WeakPolarHBondContact O-CB 3.49Å; Q207-E211 PolarHBondContact O-N 2.94Å; A208-E211 PolarHBondContact O-N 3.23Å; E211-I214 PolarHBondContact O-N 3.44Å; E211-L215 HydrophobicContact CG-CD1 3.79Å; E211-L215 HydrophobicContact CG-CG 4.48Å; E211-L215 WeakPolarHBondContact O-CB 3.31Å; E211-L215 WeakPolarHBondContact O-CD1 3.47Å; E211-L215 WeakPolarHBondContact O-CG 3.32Å; E211-L215 PolarHBondContact O-N 3.14Å; E211-F314 HydrophobicContact CG-CB 4.07Å; E211-F314 PolarHBondContact OE1-N 3.17Å; E211-G315 PolarHBondContact OE1-N 3.03Å
212	I	97.3	Very high	94.3	Very high	17 Å²	17	59.4 Å²	59.4	9%	0.087	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-47.6	174.8	-69.3	160.9	0	0	0	110.2	A208 I214 L215 D216 M232 Y235 I244	A208-I212 WeakPolarHBondContact O-CB 3.44Å; A208-I212 WeakPolarHBondContact O-CD1 3.31Å; A208-I212 WeakPolarHBondContact O-CG1 3.45Å; A208-I212 PolarHBondContact O-N 3.2Å; I212-I214 PolarHBondContact O-N 2.72Å; I212-L215 PolarHBondContact O-N 3.17Å; I212-D216 VanDerWaalsContact O-CB 3.3Å; I212-D216 WeakPolarHBondContact O-CB 3.35Å; I212-D216 PolarHBondContact O-N 3.48Å; I212-M232 HydrophobicContact CB-SD 4.45Å; I212-M232 HydrophobicContact CG1-SD 4.09Å; I212-M232 HydrophobicContact CG2-CE 4.12Å; I212-M232 HydrophobicContact CG2-SD 4.29Å; I212-Y235 HydrophobicContact CD1-CD2 3.81Å; I212-Y235 HydrophobicContact CD1-CG 3.99Å; I212-Y235 HydrophobicContact CG1-CG 4.31Å; I212-Y235 HydrophobicContact CG2-CD1 3.98Å; I212-Y235 HydrophobicContact CG2-CD2 4.16Å; I212-Y235 HydrophobicContact CG2-CE1 4.05Å; I212-Y235 HydrophobicContact CG2-CE2 4.22Å; I212-Y235 HydrophobicContact CG2-CG 4.05Å; I212-I244 HydrophobicContact CD1-CD1 4.03Å; I212-I244 HydrophobicContact CD1-CG1 4.08Å; I212-I244 HydrophobicContact CG1-CD1 3.7Å; I212-I244 HydrophobicContact CG1-CG1 4.04Å
213	R	96.5	Very high	93.9	Very high	113 Å²	113	55.2 Å²	55.2	43%	0.426	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-46.5	179	-172.5	174.5	79.8	129	-1.4	112.2	D209 E210 H217	D209-R213 WeakPolarHBondContact O-CB 3.36Å; D209-R213 PolarHBondContact O-N 3.46Å; E210-R213 VanDerWaalsContact CD-NH2 3.34Å; E210-R213 PolarHBondContact O-N 3.36Å; E210-R213 IonicContact OE1-CZ 2.97Å; E210-R213 IonicContact OE1-NE 3.66Å; E210-R213 PolarHBondContact OE1-NE 2.87Å; E210-R213 IonicContact OE1-NH2 3.95Å; E210-R213 PolarHBondContact OE1-NH2 3.02Å; E210-R213 IonicContact OE2-CZ 3.13Å; E210-R213 IonicContact OE2-NE 2.64Å; E210-R213 PolarHBondContact OE2-NE 2.87Å; E210-R213 IonicContact OE2-NH2 3.64Å; E210-R213 PolarHBondContact OE2-NH2 3.09Å; E210-R213 VanDerWaalsContact OE2-NH2 3.16Å; R213-H217 WeakPolarHBondContact O-CB 3.42Å; R213-H217 PolarHBondContact O-N 3.16Å
214	I	96.8	Very high	93.8	Very high	1 Å²	1	56 Å²	56	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-45.4	179.9	-71.5	172	0	0	0	110.9	E210 E211 I212 H217 L218 L289 F314 F319	E210-I214 HydrophobicContact CG-CD1 3.91Å; E210-I214 HydrophobicContact CG-CG1 4.45Å; E210-I214 WeakPolarHBondContact O-CB 3.33Å; E210-I214 VanDerWaalsContact O-CG1 3.3Å; E210-I214 WeakPolarHBondContact O-CG1 3.43Å; E210-I214 PolarHBondContact O-N 3.28Å; E211-I214 PolarHBondContact O-N 3.44Å; I212-I214 PolarHBondContact O-N 2.72Å; I214-H217 PolarHBondContact O-N 3.35Å; I214-L218 HydrophobicContact CG2-CD1 3.77Å; I214-L218 HydrophobicContact CG2-CG 4.46Å; I214-L218 WeakPolarHBondContact O-CB 3.28Å; I214-L218 VanDerWaalsContact O-CG 3.31Å; I214-L218 WeakPolarHBondContact O-CG 3.39Å; I214-L218 PolarHBondContact O-N 3.09Å; I214-L289 HydrophobicContact CD1-CD2 3.94Å; I214-L289 HydrophobicContact CG1-CD2 3.94Å; I214-L289 HydrophobicContact CG2-CD1 4.04Å; I214-L289 HydrophobicContact CG2-CD2 4.13Å; I214-F314 HydrophobicContact CG2-CD1 3.89Å; I214-F319 HydrophobicContact CG1-CE2 4.01Å; I214-F319 HydrophobicContact CG1-CZ 4.49Å
215	L	96.9	Very high	93.4	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-67.2	-40.6	-179	-72.5	169.4	0	0	0	112.5	E211 I212 L218 R219 I229 I230 M232 F246 F314	E211-L215 HydrophobicContact CG-CD1 3.79Å; E211-L215 HydrophobicContact CG-CG 4.48Å; E211-L215 WeakPolarHBondContact O-CB 3.31Å; E211-L215 WeakPolarHBondContact O-CD1 3.47Å; E211-L215 WeakPolarHBondContact O-CG 3.32Å; E211-L215 PolarHBondContact O-N 3.14Å; I212-L215 PolarHBondContact O-N 3.17Å; L215-L218 PolarHBondContact O-N 2.8Å; L215-R219 WeakPolarHBondContact O-CB 3.39Å; L215-R219 PolarHBondContact O-N 3.27Å; L215-I229 HydrophobicContact CD2-CG2 4.26Å; L215-I230 HydrophobicContact CD2-CG2 3.91Å; L215-M232 HydrophobicContact CB-CB 4.49Å; L215-M232 HydrophobicContact CD1-CB 4.41Å; L215-F246 HydrophobicContact CD1-CE1 3.69Å; L215-F246 HydrophobicContact CD1-CZ 4.22Å; L215-F314 HydrophobicContact CD2-CB 4.36Å; L215-F314 HydrophobicContact CD2-CD2 3.71Å; L215-F314 HydrophobicContact CD2-CE2 4.22Å; L215-F314 HydrophobicContact CD2-CG 4.04Å; L215-F314 HydrophobicContact CG-CB 4.37Å
216	D	95.4	Very high	93.3	Very high	56 Å²	56	57 Å²	57	30%	0.299	27%	0.271	S	S	.	.	H	α-helix	trans	-65.2	-38.4	174.4	176.9	59.5	0	0	0	111.9	I212 R219 R220 M232	I212-D216 VanDerWaalsContact O-CB 3.3Å; I212-D216 WeakPolarHBondContact O-CB 3.35Å; I212-D216 PolarHBondContact O-N 3.48Å; D216-R219 PolarHBondContact O-N 3.48Å; D216-R220 PolarHBondContact O-NH1 3.08Å; D216-R220 VanDerWaalsContact O-NH1 3.1Å; D216-R220 IonicContact OD1-CZ 3.48Å; D216-R220 IonicContact OD1-NH1 3.36Å; D216-R220 IonicContact OD1-NH2 2.79Å; D216-R220 IonicContact OD2-CZ 3.49Å; D216-R220 IonicContact OD2-NH1 3.54Å; D216-R220 PolarHBondContact OD2-NH1 2.88Å; D216-R220 IonicContact OD2-NH2 2.81Å; D216-R220 PolarHBondContact OD2-NH2 2.92Å; D216-M232 HydrophobicContact CB-CE 4.3Å
217	H	95.3	Very high	93.4	Very high	62 Å²	62	50.2 Å²	50.2	29%	0.287	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-45.5	172.1	-177.8	65.4	0	0	0	113	R213 I214 Q221 N287	R213-H217 WeakPolarHBondContact O-CB 3.42Å; R213-H217 PolarHBondContact O-N 3.16Å; I214-H217 PolarHBondContact O-N 3.35Å; H217-Q221 PolarHBondContact NE2-NE2 3.17Å; H217-Q221 PolarHBondContact O-NE2 3.47Å; H217-N287 PolarHBondContact NE2-OD1 3.18Å
218	L	95.3	Very high	93.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-70.1	-36.2	177.9	-69.6	169.1	0	0	0	112.4	I214 L215 R220 Q221 D222 I229 L283 L284 L289 F314	I214-L218 HydrophobicContact CG2-CD1 3.77Å; I214-L218 HydrophobicContact CG2-CG 4.46Å; I214-L218 WeakPolarHBondContact O-CB 3.28Å; I214-L218 VanDerWaalsContact O-CG 3.31Å; I214-L218 WeakPolarHBondContact O-CG 3.39Å; I214-L218 PolarHBondContact O-N 3.09Å; L215-L218 PolarHBondContact O-N 2.8Å; L218-R220 PolarHBondContact O-N 2.69Å; L218-Q221 PolarHBondContact O-N 2.75Å; L218-D222 PolarHBondContact O-N 3.4Å; L218-I229 HydrophobicContact CB-CD1 4.47Å; L218-I229 HydrophobicContact CD1-CD1 4.28Å; L218-I229 HydrophobicContact CD1-CG2 4.45Å; L218-I229 HydrophobicContact CD2-CD1 4.32Å; L218-L283 HydrophobicContact CD2-CD2 4.02Å; L218-L283 HydrophobicContact CD2-CG 4.18Å; L218-L284 HydrophobicContact CD1-CD2 3.7Å; L218-L284 HydrophobicContact CD2-CD2 3.83Å; L218-L284 HydrophobicContact CG-CD2 4.44Å; L218-L289 HydrophobicContact CD1-CD1 4.18Å; L218-L289 HydrophobicContact CD2-CD1 3.86Å; L218-L289 HydrophobicContact CG-CD1 4.05Å; L218-F314 HydrophobicContact CD1-CD1 4.22Å; L218-F314 HydrophobicContact CD1-CE1 3.77Å; L218-F314 HydrophobicContact CD1-CZ 4.28Å
219	R	92.8	Very high	93.6	Very high	101 Å²	101	49.7 Å²	49.7	38%	0.381	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-31.3	-178.9	-177.7	54.3	168.4	150.3	-6.5	113.2	L215 D216 Q221 D222 H231	L215-R219 WeakPolarHBondContact O-CB 3.39Å; L215-R219 PolarHBondContact O-N 3.27Å; D216-R219 PolarHBondContact O-N 3.48Å; R219-Q221 PolarHBondContact O-N 2.82Å; R219-D222 PolarHBondContact NH1-O 2.82Å; R219-D222 VanDerWaalsContact NH1-O 3.12Å; R219-H231 PolarHBondContact NH1-CE1 2.7Å; R219-H231 PolarHBondContact NH1-ND1 3.34Å
220	R	91.6	Very high	93.7	Very high	147 Å²	147	46.6 Å²	46.6	56%	0.555	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.4	174.4	-65.8	178.2	-176.9	92.9	4.2	113.4	D216 L218	D216-R220 PolarHBondContact O-NH1 3.08Å; D216-R220 VanDerWaalsContact O-NH1 3.1Å; D216-R220 IonicContact OD1-CZ 3.48Å; D216-R220 IonicContact OD1-NH1 3.36Å; D216-R220 IonicContact OD1-NH2 2.79Å; D216-R220 IonicContact OD2-CZ 3.49Å; D216-R220 IonicContact OD2-NH1 3.54Å; D216-R220 PolarHBondContact OD2-NH1 2.88Å; D216-R220 IonicContact OD2-NH2 2.81Å; D216-R220 PolarHBondContact OD2-NH2 2.92Å; L218-R220 PolarHBondContact O-N 2.69Å
221	Q	92.3	Very high	93.8	Very high	72 Å²	72	45.3 Å²	45.3	34%	0.336	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-23.7	-177.1	-63.5	171.1	67.7	0	0	112.6	H217 L218 R219 L283 N287	H217-Q221 PolarHBondContact NE2-NE2 3.17Å; H217-Q221 PolarHBondContact O-NE2 3.47Å; L218-Q221 PolarHBondContact O-N 2.75Å; R219-Q221 PolarHBondContact O-N 2.82Å; Q221-L283 HydrophobicContact CB-CD1 4.13Å; Q221-L283 HydrophobicContact CB-CD2 4.26Å; Q221-N287 PolarHBondContact NE2-ND2 3.15Å; Q221-N287 PolarHBondContact NE2-OD1 3.22Å; Q221-N287 PolarHBondContact OE1-ND2 2.98Å; Q221-N287 PolarHBondContact OE1-OD1 3.36Å
222	D	90.8	Very high	93.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.227	C	C	.	.			trans	-102.7	52.7	174	-166.4	43.8	0	0	0	111.6	L218 R219 G225 T226 H227 H231	L218-D222 PolarHBondContact O-N 3.4Å; R219-D222 PolarHBondContact NH1-O 2.82Å; R219-D222 VanDerWaalsContact NH1-O 3.12Å; D222-G225 PolarHBondContact O-N 2.69Å; D222-G225 VanDerWaalsContact OD1-C 3.24Å; D222-G225 VanDerWaalsContact OD1-CA 3.28Å; D222-G225 WeakPolarHBondContact OD1-CA 3.2Å; D222-G225 PolarHBondContact OD1-N 3.08Å; D222-T226 PolarHBondContact OD1-N 3.47Å; D222-H227 HydrophobicContact CB-CB 4.29Å; D222-H227 WeakPolarHBondContact OD1-CB 3.14Å; D222-H227 IonicContact OD1-CG 3.55Å; D222-H227 PolarHBondContact OD1-N 3.42Å; D222-H227 IonicContact OD1-ND1 2.8Å; D222-H227 PolarHBondContact OD1-ND1 3.08Å; D222-H231 IonicContact OD2-CD2 3.75Å; D222-H231 IonicContact OD2-CE1 3.79Å; D222-H231 IonicContact OD2-NE2 3.4Å; D222-H231 PolarHBondContact OD2-NE2 3.13Å
223	S	84.9	Confident	93.8	Very high	99 Å²	99	49.5 Å²	49.5	69%	0.692	24%	0.243	S	C	*	.	S	Bend	trans	-71	-31.4	-179.8	55.6	0	0	0	0	112.8
224	D	88.1	Confident	93.8	Very high	107 Å²	107	46.2 Å²	46.2	57%	0.572	23%	0.234	S	C	*	.	S	Bend	trans	-88.8	-9.4	175.8	67.1	5.5	0	0	0	113.9	T226	D224-T226 VanDerWaalsContact C-N 3.31Å; D224-T226 HydrophobicContact CB-CG2 4.24Å; D224-T226 VanDerWaalsContact CG-OG1 3.28Å; D224-T226 PolarHBondContact O-N 3.46Å; D224-T226 WeakPolarHBondContact OD1-CB 3.48Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.41Å; D224-T226 PolarHBondContact OD1-N 3.47Å; D224-T226 PolarHBondContact OD1-OG1 3.01Å; D224-T226 VanDerWaalsContact OD2-CG2 3.28Å; D224-T226 WeakPolarHBondContact OD2-CG2 3.32Å; D224-T226 PolarHBondContact OD2-OG1 2.81Å
225	G	87.1	Confident	93.8	Very high	12 Å²	12	52 Å²	52	12%	0.124	26%	0.257	C	S	.	.	S	Bend	trans	73.2	16.1	179.7	0	0	0	0	0	115.3	D222	D222-G225 PolarHBondContact O-N 2.69Å; D222-G225 VanDerWaalsContact OD1-C 3.24Å; D222-G225 VanDerWaalsContact OD1-CA 3.28Å; D222-G225 WeakPolarHBondContact OD1-CA 3.2Å; D222-G225 PolarHBondContact OD1-N 3.08Å
226	T	91.7	Very high	93.9	Very high	68 Å²	68	53.6 Å²	53.6	42%	0.417	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-25.6	-177.3	58.6	0	0	0	0	113.9	D222 D224 N228	D222-T226 PolarHBondContact OD1-N 3.47Å; D224-T226 VanDerWaalsContact C-N 3.31Å; D224-T226 HydrophobicContact CB-CG2 4.24Å; D224-T226 VanDerWaalsContact CG-OG1 3.28Å; D224-T226 PolarHBondContact O-N 3.46Å; D224-T226 WeakPolarHBondContact OD1-CB 3.48Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.41Å; D224-T226 PolarHBondContact OD1-N 3.47Å; D224-T226 PolarHBondContact OD1-OG1 3.01Å; D224-T226 VanDerWaalsContact OD2-CG2 3.28Å; D224-T226 WeakPolarHBondContact OD2-CG2 3.32Å; D224-T226 PolarHBondContact OD2-OG1 2.81Å; T226-N228 PolarHBondContact O-N 3.19Å; T226-N228 PolarHBondContact O-ND2 3.49Å
227	H	94.4	Very high	94	Very high	37 Å²	37	54.7 Å²	54.7	17%	0.171	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.1	-178.3	-57.1	86.7	0	0	0	113.4	D222 I229 L279 C280 L283	D222-H227 HydrophobicContact CB-CB 4.29Å; D222-H227 WeakPolarHBondContact OD1-CB 3.14Å; D222-H227 IonicContact OD1-CG 3.55Å; D222-H227 PolarHBondContact OD1-N 3.42Å; D222-H227 IonicContact OD1-ND1 2.8Å; D222-H227 PolarHBondContact OD1-ND1 3.08Å; H227-I229 HydrophobicContact CB-CD1 4.22Å; H227-I229 PolarHBondContact O-N 3.45Å; H227-L279 CarbonylContact O-C 3.58Å; H227-C280 WeakPolarHBondContact O-CA 3.47Å; H227-C280 VanDerWaalsContact O-CB 3.27Å; H227-C280 WeakPolarHBondContact O-CB 3.32Å; H227-C280 PolarHBondContact O-N 2.9Å; H227-C280 VanDerWaalsContact O-N 3.11Å; H227-L283 HydrophobicContact CB-CB 4.39Å; H227-L283 HydrophobicContact CB-CD2 3.89Å
228	N	96.8	Very high	94.1	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.048	26%	0.256	C	S	.	.			trans	60.4	42.8	173	-53.5	-59.3	0	0	0	113.8	T226 S276 K302 I309 K310 V311	T226-N228 PolarHBondContact O-N 3.19Å; T226-N228 PolarHBondContact O-ND2 3.49Å; N228-S276 PolarHBondContact ND2-O 3.02Å; N228-K302 VanDerWaalsContact OD1-CE 3.29Å; N228-K302 WeakPolarHBondContact OD1-CE 3.46Å; N228-K302 PolarHBondContact OD1-NZ 2.9Å; N228-I309 HydrophobicContact CB-CD1 4.1Å; N228-I309 WeakPolarHBondContact CB-O 3.31Å; N228-I309 PolarHBondContact OD1-O 3.18Å; N228-K310 CarbonylContact O-C 3.25Å; N228-K310 WeakPolarHBondContact O-CA 3.5Å; N228-V311 PolarHBondContact O-N 3.05Å
229	I	97	Very high	94.2	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-103.5	144.6	172.3	-67.4	155.9	0	0	0	109.1	L215 L218 H227 H231 C280 L283 L284 K310 F314	L215-I229 HydrophobicContact CD2-CG2 4.26Å; L218-I229 HydrophobicContact CB-CD1 4.47Å; L218-I229 HydrophobicContact CD1-CD1 4.28Å; L218-I229 HydrophobicContact CD1-CG2 4.45Å; L218-I229 HydrophobicContact CD2-CD1 4.32Å; H227-I229 HydrophobicContact CB-CD1 4.22Å; H227-I229 PolarHBondContact O-N 3.45Å; I229-H231 PolarHBondContact O-CD2 3.39Å; I229-H231 PolarHBondContact O-N 3.16Å; I229-H231 PolarHBondContact O-NE2 2.96Å; I229-C280 HydrophobicContact CG1-CB 4.19Å; I229-C280 VanDerWaalsContact CG1-SG 3.54Å; I229-L283 HydrophobicContact CD1-CD2 3.71Å; I229-L284 HydrophobicContact CD1-CD2 4.48Å; I229-K310 VanDerWaalsContact O-CD 3.26Å; I229-K310 WeakPolarHBondContact O-CD 3.4Å; I229-K310 VanDerWaalsContact O-CE 3.27Å; I229-K310 WeakPolarHBondContact O-CE 3.36Å; I229-K310 PolarHBondContact O-NZ 3.25Å; I229-F314 HydrophobicContact CG1-CZ 4.31Å; I229-F314 HydrophobicContact CG2-CE2 3.93Å; I229-F314 HydrophobicContact CG2-CZ 3.96Å
230	I	97.4	Very high	94.4	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.056	27%	0.267	C	S	.	.			trans	-58.6	133	173.5	-168.8	73.2	0	0	0	111.4	L215 F246 E247 L249 V311 I312 F314	L215-I230 HydrophobicContact CD2-CG2 3.91Å; I230-F246 HydrophobicContact CD1-CB 4.21Å; I230-F246 HydrophobicContact CG1-CB 4.01Å; I230-F246 HydrophobicContact CG1-CD1 3.52Å; I230-F246 HydrophobicContact CG1-CE1 4.27Å; I230-F246 HydrophobicContact CG1-CG 4.07Å; I230-F246 HydrophobicContact CG2-CD1 4.25Å; I230-F246 HydrophobicContact CG2-CE1 4.21Å; I230-E247 HydrophobicContact CD1-CG 3.71Å; I230-L249 HydrophobicContact CD1-CD1 3.47Å; I230-L249 VanDerWaalsContact CD1-CD1 3.47Å; I230-L249 HydrophobicContact CD1-CG 3.86Å; I230-V311 PolarHBondContact N-O 3.41Å; I230-I312 HydrophobicContact CB-CG2 4.1Å; I230-I312 HydrophobicContact CD1-CG2 4.14Å; I230-I312 HydrophobicContact CG1-CG2 4.35Å; I230-F314 HydrophobicContact CG2-CD2 4.34Å; I230-F314 HydrophobicContact CG2-CE2 4.36Å
231	H	95.8	Very high	94.7	Very high	22 Å²	22	45.7 Å²	45.7	10%	0.102	24%	0.24	C	C	.	.			trans	-95.3	112.8	177.1	-63.1	165.6	0	0	0	109.5	R219 D222 I229 F246 E247 K310	R219-H231 PolarHBondContact NH1-CE1 2.7Å; R219-H231 PolarHBondContact NH1-ND1 3.34Å; D222-H231 IonicContact OD2-CD2 3.75Å; D222-H231 IonicContact OD2-CE1 3.79Å; D222-H231 IonicContact OD2-NE2 3.4Å; D222-H231 PolarHBondContact OD2-NE2 3.13Å; I229-H231 PolarHBondContact O-CD2 3.39Å; I229-H231 PolarHBondContact O-N 3.16Å; I229-H231 PolarHBondContact O-NE2 2.96Å; H231-F246 WeakPolarHBondContact O-CA 3.34Å; H231-E247 WeakPolarHBondContact CB-OE1 3.37Å; H231-E247 IonicContact CG-OE1 2.74Å; H231-E247 PolarHBondContact N-OE1 3.35Å; H231-E247 PolarHBondContact O-N 3.05Å; H231-K310 PolarHBondContact CD2-NZ 3.37Å; H231-K310 PolarHBondContact CE1-NZ 3.3Å; H231-K310 VanDerWaalsContact CG-NZ 3.27Å; H231-K310 PolarHBondContact ND1-NZ 2.94Å; H231-K310 VanDerWaalsContact ND1-NZ 3.11Å; H231-K310 PolarHBondContact NE2-NZ 3.01Å
232	M	96.9	Very high	95	Very high	31 Å²	31	43.8 Å²	43.8	15%	0.153	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	137.8	164	-179.3	176.5	70.2	0	0	109.2	I212 L215 D216 Y235 I244 T245 F246	I212-M232 HydrophobicContact CB-SD 4.45Å; I212-M232 HydrophobicContact CG1-SD 4.09Å; I212-M232 HydrophobicContact CG2-CE 4.12Å; I212-M232 HydrophobicContact CG2-SD 4.29Å; L215-M232 HydrophobicContact CB-CB 4.49Å; L215-M232 HydrophobicContact CD1-CB 4.41Å; D216-M232 HydrophobicContact CB-CE 4.3Å; M232-Y235 HydrophobicContact CE-CD1 4.08Å; M232-Y235 HydrophobicContact SD-CD1 4.22Å; M232-I244 HydrophobicContact CG-CG2 3.67Å; M232-I244 HydrophobicContact SD-CG2 3.67Å; M232-T245 CarbonylContact C-O 3.58Å; M232-T245 WeakPolarHBondContact CA-O 3.24Å; M232-F246 HydrophobicContact CB-CD1 4.28Å; M232-F246 HydrophobicContact CB-CE1 4.28Å
233	L	96.2	Very high	95.4	Very high	80 Å²	80	43.7 Å²	43.7	42%	0.419	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-38	-178.1	-56.7	179.4	0	0	0	112.4	V193 T245	V193-L233 HydrophobicContact CG1-CD1 3.82Å; L233-T245 PolarHBondContact N-O 3.27Å
234	D	96.5	Very high	96	Very high	44 Å²	44	39 Å²	39	24%	0.235	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	150.9	-172.7	-150.2	-31.7	0	0	0	109.4	R166 Y167 T245	R166-D234 IonicContact CZ-OD2 3.7Å; R166-D234 IonicContact NH1-OD2 3.68Å; R166-D234 PolarHBondContact NH1-OD2 2.85Å; R166-D234 IonicContact NH2-OD2 2.76Å; R166-D234 PolarHBondContact NH2-OD2 3.36Å; Y167-D234 PolarHBondContact OH-OD2 2.82Å; D234-T245 WeakPolarHBondContact CA-OG1 3.27Å; D234-T245 WeakPolarHBondContact CB-OG1 3.2Å; D234-T245 PolarHBondContact N-OG1 2.94Å; D234-T245 VanDerWaalsContact N-OG1 3.08Å; D234-T245 PolarHBondContact O-N 3.06Å; D234-T245 PolarHBondContact O-OG1 2.83Å; D234-T245 VanDerWaalsContact O-OG1 3.08Å
235	Y	97.8	Very high	96.5	Very high	122 Å²	122	34 Å²	34	48%	0.478	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.7	174.3	71.4	-85.7	0	0	0	111	I212 M232 C243	I212-Y235 HydrophobicContact CD1-CD2 3.81Å; I212-Y235 HydrophobicContact CD1-CG 3.99Å; I212-Y235 HydrophobicContact CG1-CG 4.31Å; I212-Y235 HydrophobicContact CG2-CD1 3.98Å; I212-Y235 HydrophobicContact CG2-CD2 4.16Å; I212-Y235 HydrophobicContact CG2-CE1 4.05Å; I212-Y235 HydrophobicContact CG2-CE2 4.22Å; I212-Y235 HydrophobicContact CG2-CG 4.05Å; M232-Y235 HydrophobicContact CE-CD1 4.08Å; M232-Y235 HydrophobicContact SD-CD1 4.22Å; Y235-C243 VanDerWaalsContact CA-O 3.29Å; Y235-C243 WeakPolarHBondContact CA-O 3.47Å
236	F	98	Very high	97.1	Very high	39 Å²	39	34.2 Å²	34.2	17%	0.171	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	171.9	-174.5	55.3	-89.3	0	0	0	111.4	I163 A164 Y167 L195 F238 C243 T245	I163-F236 HydrophobicContact CG2-CE2 3.78Å; I163-F236 HydrophobicContact CG2-CZ 3.96Å; A164-F236 HydrophobicContact CB-CD2 3.86Å; A164-F236 HydrophobicContact CB-CE2 3.46Å; A164-F236 VanDerWaalsContact CB-CE2 3.46Å; A164-F236 HydrophobicContact CB-CZ 4.06Å; Y167-F236 HydrophobicContact CD2-CE1 4.2Å; Y167-F236 AromaticContact CD2-CZ 3.82Å; Y167-F236 HydrophobicContact CD2-CZ 3.82Å; Y167-F236 HydrophobicContact CE2-CD1 4.45Å; Y167-F236 AromaticContact CE2-CE1 3.38Å; Y167-F236 HydrophobicContact CE2-CE1 3.38Å; Y167-F236 AromaticContact CE2-CZ 3.46Å; Y167-F236 HydrophobicContact CE2-CZ 3.46Å; Y167-F236 VanDerWaalsContact CE2-CZ 3.46Å; Y167-F236 AromaticContact CZ-CE1 3.94Å; L195-F236 HydrophobicContact CD1-CZ 4.27Å; F236-F238 HydrophobicContact CD2-CB 4.22Å; F236-F238 HydrophobicContact CE2-CB 4.03Å; F236-C243 HydrophobicContact CD1-CB 4.44Å; F236-C243 HydrophobicContact CD2-CB 3.77Å; F236-C243 HydrophobicContact CE1-CB 4.1Å; F236-C243 HydrophobicContact CE2-CB 3.37Å; F236-C243 HydrophobicContact CG-CB 4.28Å; F236-C243 HydrophobicContact CZ-CB 3.56Å; F236-C243 PolarHBondContact N-O 3.15Å; F236-C243 PolarHBondContact O-N 2.96Å; F236-T245 HydrophobicContact CE1-CG2 4.2Å
237	N	97.9	Very high	97.3	Very high	79 Å²	79	33.3 Å²	33.3	42%	0.422	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.9	169.6	-58.7	-41.6	0	0	0	109.9	H241 K242	N237-H241 CarbonylContact C-O 3.15Å; N237-H241 VanDerWaalsContact CA-O 3.3Å; N237-H241 WeakPolarHBondContact CA-O 3.23Å; N237-K242 WeakPolarHBondContact OD1-CG 3.42Å
238	F	98	Very high	97.5	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	124.7	172.7	175.1	-107.7	0	0	0	109.4	Y155 H162 I163 A164 F236 N240 H241	Y155-F238 HydrophobicContact CE2-CE1 4.24Å; Y155-F238 AromaticContact CZ-CE1 3.86Å; H162-F238 AromaticContact CE1-CE2 3.99Å; H162-F238 AromaticContact CE1-CZ 3.99Å; H162-F238 AromaticContact ND1-CE2 4Å; H162-F238 AromaticContact ND1-CZ 3.88Å; I163-F238 HydrophobicContact CB-CD1 4.42Å; I163-F238 HydrophobicContact CB-CE1 4.43Å; I163-F238 HydrophobicContact CD1-CD1 3.84Å; I163-F238 HydrophobicContact CD1-CE1 3.5Å; I163-F238 HydrophobicContact CD1-CZ 4.43Å; I163-F238 HydrophobicContact CG2-CB 4.23Å; I163-F238 HydrophobicContact CG2-CD1 3.77Å; I163-F238 HydrophobicContact CG2-CE1 4.26Å; I163-F238 HydrophobicContact CG2-CG 3.99Å; A164-F238 HydrophobicContact CB-CD2 4.19Å; A164-F238 VanDerWaalsContact N-CD2 3.28Å; A164-F238 VanDerWaalsContact N-CE2 3.32Å; F236-F238 HydrophobicContact CD2-CB 4.22Å; F236-F238 HydrophobicContact CE2-CB 4.03Å; F238-N240 VanDerWaalsContact C-N 3.3Å; F238-N240 PolarHBondContact O-N 3.45Å; F238-H241 PolarHBondContact N-O 2.95Å; F238-H241 WeakPolarHBondContact O-CB 3.47Å; F238-H241 PolarHBondContact O-N 2.8Å
239	R	97.1	Very high	97.5	Very high	16 Å²	16	35.1 Å²	35.1	6%	0.06	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	53.9	-179.6	-61.9	-179.8	-177.2	167.1	-0.1	112.5	F115 E116 E119 N145 Y148 Y155 H241	F115-R239 HydrophobicContact CE1-CG 4.25Å; E116-R239 VanDerWaalsContact CG-NH2 3.31Å; E116-R239 IonicContact OE1-NH2 3.19Å; E116-R239 PolarHBondContact OE1-NH2 2.88Å; E119-R239 WeakPolarHBondContact OE1-CG 3.28Å; E119-R239 IonicContact OE1-CZ 3.82Å; E119-R239 IonicContact OE1-NE 2.91Å; E119-R239 PolarHBondContact OE1-NE 2.89Å; E119-R239 IonicContact OE1-NH2 3.85Å; E119-R239 IonicContact OE2-CZ 2.66Å; E119-R239 IonicContact OE2-NE 2.73Å; E119-R239 PolarHBondContact OE2-NE 3.15Å; E119-R239 IonicContact OE2-NH2 3.52Å; E119-R239 PolarHBondContact OE2-NH2 3.25Å; N145-R239 PolarHBondContact ND2-O 2.94Å; Y148-R239 VanDerWaalsContact CE1-NH1 3.27Å; Y155-R239 HydrophobicContact CE2-CB 4.11Å; Y155-R239 PolarHBondContact OH-NH1 3.09Å; R239-H241 PolarHBondContact O-CD2 3.42Å; R239-H241 PolarHBondContact O-N 2.66Å; R239-H241 VanDerWaalsContact O-N 3.13Å
240	N	96.6	Very high	97.5	Very high	105 Å²	105	36.5 Å²	36.5	56%	0.561	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	-0.5	-176.6	-62.3	-46.6	0	0	0	117.8	N145 H205 F238	N145-N240 PolarHBondContact OD1-ND2 3.34Å; H205-N240 PolarHBondContact CE1-O 3.48Å; H205-N240 PolarHBondContact NE2-O 3.06Å; F238-N240 VanDerWaalsContact C-N 3.3Å; F238-N240 PolarHBondContact O-N 3.45Å
241	H	98.3	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	141.4	169.6	-63	-81.3	0	0	0	112	D149 G153 Y155 V198 N237 F238 R239	D149-H241 IonicContact OD1-CE1 3.41Å; D149-H241 IonicContact OD1-NE2 2.97Å; D149-H241 PolarHBondContact OD1-NE2 2.88Å; D149-H241 IonicContact OD2-NE2 3.38Å; G153-H241 PolarHBondContact O-CE1 3.29Å; Y155-H241 WeakPolarHBondContact CB-NE2 3.46Å; Y155-H241 AromaticContact CD2-CD2 3.46Å; Y155-H241 VanDerWaalsContact CD2-CD2 3.46Å; Y155-H241 WeakPolarHBondContact CD2-CD2 3.32Å; Y155-H241 AromaticContact CD2-NE2 3.48Å; Y155-H241 WeakPolarHBondContact CD2-NE2 3.5Å; Y155-H241 AromaticContact CG-CD2 3.98Å; Y155-H241 AromaticContact CG-NE2 3.92Å; Y155-H241 PolarHBondContact N-CE1 2.72Å; V198-H241 PolarHBondContact O-ND1 3.15Å; N237-H241 CarbonylContact C-O 3.15Å; N237-H241 VanDerWaalsContact CA-O 3.3Å; N237-H241 WeakPolarHBondContact CA-O 3.23Å; F238-H241 PolarHBondContact N-O 2.95Å; F238-H241 WeakPolarHBondContact O-CB 3.47Å; F238-H241 PolarHBondContact O-N 2.8Å; R239-H241 PolarHBondContact O-CD2 3.42Å; R239-H241 PolarHBondContact O-N 2.66Å; R239-H241 VanDerWaalsContact O-N 3.13Å
242	K	97.9	Very high	97.6	Very high	32 Å²	32	38.2 Å²	38.2	14%	0.139	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.1	159.6	-73.5	178.7	-175.4	-76.1	0	109.2	V198 H205 A208 D209 N237	V198-K242 HydrophobicContact CB-CB 4.05Å; V198-K242 VanDerWaalsContact CB-O 3.3Å; V198-K242 WeakPolarHBondContact CB-O 3.34Å; V198-K242 HydrophobicContact CG2-CB 4.14Å; V198-K242 WeakPolarHBondContact CG2-O 3.3Å; V198-K242 PolarHBondContact N-O 3.34Å; H205-K242 HydrophobicContact CB-CD 4.08Å; A208-K242 HydrophobicContact CB-CB 4.3Å; A208-K242 HydrophobicContact CB-CD 3.84Å; D209-K242 VanDerWaalsContact CG-CE 3.48Å; D209-K242 VanDerWaalsContact CG-NZ 3.25Å; D209-K242 VanDerWaalsContact OD1-CE 3.24Å; D209-K242 WeakPolarHBondContact OD1-CE 3.34Å; D209-K242 IonicContact OD1-NZ 3.19Å; D209-K242 PolarHBondContact OD1-NZ 2.79Å; D209-K242 WeakPolarHBondContact OD2-CE 3.3Å; D209-K242 IonicContact OD2-NZ 3.22Å; D209-K242 PolarHBondContact OD2-NZ 2.97Å; D209-K242 VanDerWaalsContact OD2-NZ 3.13Å; N237-K242 WeakPolarHBondContact OD1-CG 3.42Å
243	C	98.5	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.6	179.1	-69.3	0	0	0	0	109.4	L195 K196 Y235 F236	L195-C243 HydrophobicContact CD2-CB 4.31Å; K196-C243 WeakPolarHBondContact O-CA 3.31Å; Y235-C243 VanDerWaalsContact CA-O 3.29Å; Y235-C243 WeakPolarHBondContact CA-O 3.47Å; F236-C243 HydrophobicContact CD1-CB 4.44Å; F236-C243 HydrophobicContact CD2-CB 3.77Å; F236-C243 HydrophobicContact CE1-CB 4.1Å; F236-C243 HydrophobicContact CE2-CB 3.37Å; F236-C243 HydrophobicContact CG-CB 4.28Å; F236-C243 HydrophobicContact CZ-CB 3.56Å; F236-C243 PolarHBondContact N-O 3.15Å; F236-C243 PolarHBondContact O-N 2.96Å
244	I	98.5	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.3	175.9	-50	171.7	0	0	0	108.1	L195 K196 A208 I212 M232 F246	L195-I244 CarbonylContact C-O 3.59Å; L195-I244 WeakPolarHBondContact CA-O 3.23Å; K196-I244 HydrophobicContact CB-CB 4.49Å; K196-I244 PolarHBondContact N-O 2.97Å; K196-I244 PolarHBondContact O-N 2.69Å; A208-I244 HydrophobicContact CB-CD1 4.4Å; I212-I244 HydrophobicContact CD1-CD1 4.03Å; 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 3.67Å; M232-I244 HydrophobicContact SD-CG2 3.67Å; I244-F246 HydrophobicContact CB-CE2 3.83Å; I244-F246 HydrophobicContact CB-CZ 4.05Å; I244-F246 HydrophobicContact CG2-CD2 4.3Å; I244-F246 HydrophobicContact CG2-CE1 4.02Å; I244-F246 HydrophobicContact CG2-CE2 3.57Å; I244-F246 HydrophobicContact CG2-CZ 3.42Å; I244-F246 VanDerWaalsContact CG2-CZ 3.42Å
245	T	98.6	Very high	97.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146.3	175.7	61.8	0	0	0	0	111.6	Y167 A194 L195 M232 L233 D234 F236	Y167-T245 HydrophobicContact CD1-CG2 4.45Å; Y167-T245 HydrophobicContact CE1-CG2 3.81Å; Y167-T245 HydrophobicContact CE2-CG2 4.39Å; A194-T245 CarbonylContact O-C 3.51Å; A194-T245 WeakPolarHBondContact O-CA 3.44Å; L195-T245 HydrophobicContact CB-CG2 4.11Å; L195-T245 HydrophobicContact CD1-CG2 3.91Å; L195-T245 HydrophobicContact CG-CG2 3.76Å; M232-T245 CarbonylContact C-O 3.58Å; M232-T245 WeakPolarHBondContact CA-O 3.24Å; L233-T245 PolarHBondContact N-O 3.27Å; D234-T245 WeakPolarHBondContact CA-OG1 3.27Å; D234-T245 WeakPolarHBondContact CB-OG1 3.2Å; D234-T245 PolarHBondContact N-OG1 2.94Å; D234-T245 VanDerWaalsContact N-OG1 3.08Å; D234-T245 PolarHBondContact O-N 3.06Å; D234-T245 PolarHBondContact O-OG1 2.83Å; D234-T245 VanDerWaalsContact O-OG1 3.08Å; F236-T245 HydrophobicContact CE1-CG2 4.2Å
246	F	98.4	Very high	97.9	Very high	17 Å²	17	33.3 Å²	33.3	8%	0.075	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	159.5	-176.1	-56.9	-89.9	0	0	0	110.3	A194 K196 L215 I230 H231 M232 I244 L248	A194-F246 HydrophobicContact CB-CB 4.36Å; A194-F246 PolarHBondContact N-O 3.26Å; A194-F246 PolarHBondContact O-N 3.19Å; K196-F246 HydrophobicContact CB-CE2 3.88Å; K196-F246 HydrophobicContact CD-CE2 4.21Å; L215-F246 HydrophobicContact CD1-CE1 3.69Å; L215-F246 HydrophobicContact CD1-CZ 4.22Å; I230-F246 HydrophobicContact CD1-CB 4.21Å; I230-F246 HydrophobicContact CG1-CB 4.01Å; I230-F246 HydrophobicContact CG1-CD1 3.52Å; I230-F246 HydrophobicContact CG1-CE1 4.27Å; I230-F246 HydrophobicContact CG1-CG 4.07Å; I230-F246 HydrophobicContact CG2-CD1 4.25Å; I230-F246 HydrophobicContact CG2-CE1 4.21Å; H231-F246 WeakPolarHBondContact O-CA 3.34Å; M232-F246 HydrophobicContact CB-CD1 4.28Å; M232-F246 HydrophobicContact CB-CE1 4.28Å; I244-F246 HydrophobicContact CB-CE2 3.83Å; I244-F246 HydrophobicContact CB-CZ 4.05Å; I244-F246 HydrophobicContact CG2-CD2 4.3Å; I244-F246 HydrophobicContact CG2-CE1 4.02Å; I244-F246 HydrophobicContact CG2-CE2 3.57Å; I244-F246 HydrophobicContact CG2-CZ 3.42Å; I244-F246 VanDerWaalsContact CG2-CZ 3.42Å; F246-L248 PolarHBondContact O-N 2.88Å
247	E	97.1	Very high	97.9	Very high	49 Å²	49	31.5 Å²	31.5	23%	0.229	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	138.6	164.4	75	-165	117.3	0	0	110.7	I230 H231 L249 K310	I230-E247 HydrophobicContact CD1-CG 3.71Å; H231-E247 WeakPolarHBondContact CB-OE1 3.37Å; H231-E247 IonicContact CG-OE1 2.74Å; H231-E247 PolarHBondContact N-OE1 3.35Å; H231-E247 PolarHBondContact O-N 3.05Å; E247-L249 HydrophobicContact CG-CD2 3.74Å; E247-L249 HydrophobicContact CG-CG 4.09Å; E247-L249 PolarHBondContact O-N 3.47Å; E247-K310 VanDerWaalsContact CD-NZ 3.29Å; E247-K310 VanDerWaalsContact OE1-CD 3.28Å; E247-K310 WeakPolarHBondContact OE1-CD 3.45Å; E247-K310 WeakPolarHBondContact OE1-CE 3.46Å; E247-K310 IonicContact OE1-NZ 2.85Å; E247-K310 PolarHBondContact OE1-NZ 3.12Å; E247-K310 WeakPolarHBondContact OE2-CE 3.49Å; E247-K310 IonicContact OE2-NZ 3.27Å; E247-K310 PolarHBondContact OE2-NZ 3.01Å; E247-K310 VanDerWaalsContact OE2-NZ 3.13Å
248	L	98	Very high	97.9	Very high	60 Å²	60	32.3 Å²	32.3	31%	0.314	16%	0.157	S	C	.	.			trans	-82.3	108	178	-176.1	65.2	0	0	0	110.7	I173 K183 A194 F246	I173-L248 HydrophobicContact CD1-CD1 3.95Å; K183-L248 HydrophobicContact CD-CD2 3.9Å; K183-L248 HydrophobicContact CG-CD2 3.94Å; A194-L248 HydrophobicContact CB-CD1 4.1Å; F246-L248 PolarHBondContact O-N 2.88Å
249	L	97.8	Very high	97.9	Very high	25 Å²	25	39 Å²	39	13%	0.131	18%	0.183	C	C	.	.			trans	-88.1	177.2	174.1	-56.6	-177.6	0	0	0	112.4	I230 E247 L300 K310 I312	I230-L249 HydrophobicContact CD1-CD1 3.47Å; I230-L249 VanDerWaalsContact CD1-CD1 3.47Å; I230-L249 HydrophobicContact CD1-CG 3.86Å; E247-L249 HydrophobicContact CG-CD2 3.74Å; E247-L249 HydrophobicContact CG-CG 4.09Å; E247-L249 PolarHBondContact O-N 3.47Å; L249-L300 HydrophobicContact CB-CB 4.01Å; L249-L300 HydrophobicContact CB-CD2 3.94Å; L249-L300 HydrophobicContact CD1-CB 3.75Å; L249-L300 HydrophobicContact CD1-CD2 4.3Å; L249-K310 HydrophobicContact CD1-CB 3.82Å; L249-K310 HydrophobicContact CD1-CD 4.36Å; L249-K310 HydrophobicContact CD1-CG 4.46Å; L249-K310 HydrophobicContact CD2-CD 4.23Å; L249-I312 HydrophobicContact CD1-CG2 4.12Å
250	S	97.2	Very high	97.9	Very high	32 Å²	32	41.2 Å²	41.2	22%	0.224	20%	0.195	C	C	.	.			trans	-89.4	-160.3	173.7	-160.8	0	0	0	0	111.5	L300 L301	S250-L300 WeakPolarHBondContact O-CD2 3.48Å; S250-L301 WeakPolarHBondContact CA-O 3.41Å; S250-L301 VanDerWaalsContact CB-O 3.27Å; S250-L301 WeakPolarHBondContact CB-O 3.25Å; S250-L301 PolarHBondContact N-O 3.2Å
251	I	97	Very high	98	Very high	33 Å²	33	43.9 Å²	43.9	17%	0.169	20%	0.202	C	C	.	.			trans	-62.1	155.2	-177.5	63.5	175	0	0	0	113.3	E255 L256 L301	I251-E255 HydrophobicContact CB-CB 4.23Å; I251-L256 HydrophobicContact CD1-CB 4.06Å; I251-L256 HydrophobicContact CD1-CD1 4.05Å; I251-L301 HydrophobicContact CG1-CD1 4.03Å; I251-L301 PolarHBondContact O-N 3.34Å
252	N	98	Very high	98	Very high	36 Å²	36	47 Å²	47	19%	0.193	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-75.3	165.7	168.7	68.2	31.5	0	0	0	112.6	Y254 E255 L256 E297 V299 L300	N252-Y254 VanDerWaalsContact C-N 3.3Å; N252-Y254 PolarHBondContact O-N 3.2Å; N252-Y254 PolarHBondContact OD1-N 2.84Å; N252-E255 PolarHBondContact O-N 2.89Å; N252-E255 WeakPolarHBondContact OD1-CB 3.25Å; N252-E255 PolarHBondContact OD1-N 2.61Å; N252-L256 PolarHBondContact O-N 3.44Å; N252-L256 VanDerWaalsContact O-N 3.08Å; N252-E297 VanDerWaalsContact CB-O 3.24Å; N252-E297 WeakPolarHBondContact CB-O 3.47Å; N252-E297 PolarHBondContact ND2-O 3.06Å; N252-V299 CarbonylContact C-O 3.59Å; N252-V299 VanDerWaalsContact CA-O 3.25Å; N252-V299 WeakPolarHBondContact CA-O 3.34Å; N252-L300 HydrophobicContact CB-CD1 3.6Å; N252-L300 HydrophobicContact CB-CG 4.03Å
253	L	98.6	Very high	98	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.2	-27.2	-177.9	-66.5	-174	0	0	0	113	L256 I257 F273 P296 V299 L301 I309 L360	L253-L256 HydrophobicContact CD2-CD2 3.89Å; L253-L256 WeakPolarHBondContact O-CB 3.4Å; L253-L256 PolarHBondContact O-N 3.46Å; L253-I257 VanDerWaalsContact O-CG1 3.32Å; L253-I257 WeakPolarHBondContact O-CG1 3.22Å; L253-I257 PolarHBondContact O-N 3.46Å; L253-F273 HydrophobicContact CD1-CG 4.42Å; L253-F273 HydrophobicContact CD2-CD1 4.32Å; L253-F273 HydrophobicContact CD2-CE1 3.89Å; L253-F273 HydrophobicContact CD2-CE2 4.12Å; L253-F273 HydrophobicContact CD2-CZ 3.77Å; L253-P296 HydrophobicContact CB-CB 4.16Å; L253-P296 PolarHBondContact N-O 3.08Å; L253-V299 HydrophobicContact CD1-CB 3.86Å; L253-V299 HydrophobicContact CD1-CG1 3.57Å; L253-V299 HydrophobicContact CG-CB 4.06Å; L253-V299 HydrophobicContact CG-CG1 3.97Å; L253-V299 PolarHBondContact N-O 2.77Å; L253-L301 HydrophobicContact CD2-CD2 4.1Å; L253-I309 HydrophobicContact CD2-CG2 4.21Å; L253-L360 HydrophobicContact CB-CD2 4.14Å; L253-L360 HydrophobicContact CD1-CD1 4.09Å; L253-L360 HydrophobicContact CD1-CD2 4.05Å
254	Y	98.3	Very high	98	Very high	78 Å²	78	52.4 Å²	52.4	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-49.7	172.6	-178.4	-100.4	0	0	0	112	N252 L256 I257 K258 P296 E297	N252-Y254 VanDerWaalsContact C-N 3.3Å; N252-Y254 PolarHBondContact O-N 3.2Å; N252-Y254 PolarHBondContact OD1-N 2.84Å; Y254-L256 PolarHBondContact O-N 2.73Å; Y254-I257 WeakPolarHBondContact O-CB 3.48Å; Y254-I257 PolarHBondContact O-N 2.96Å; Y254-I257 VanDerWaalsContact O-N 3.16Å; Y254-K258 HydrophobicContact CE1-CD 4.32Å; Y254-K258 WeakPolarHBondContact O-CB 3.45Å; Y254-K258 PolarHBondContact O-N 2.79Å; Y254-P296 PolarHBondContact N-O 3.18Å; Y254-E297 HydrophobicContact CG-CG 4.36Å
255	E	98	Very high	98	Very high	63 Å²	63	53.2 Å²	53.2	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-65.5	-26.5	175.3	-74.8	-64.5	143.9	0	0	111.9	I251 N252 K258 R259	I251-E255 HydrophobicContact CB-CB 4.23Å; N252-E255 PolarHBondContact O-N 2.89Å; N252-E255 WeakPolarHBondContact OD1-CB 3.25Å; N252-E255 PolarHBondContact OD1-N 2.61Å; E255-K258 IonicContact OE1-NZ 3.01Å; E255-K258 PolarHBondContact OE1-NZ 2.67Å; E255-K258 IonicContact OE2-NZ 3.15Å; E255-K258 PolarHBondContact OE2-NZ 2.73Å; E255-R259 WeakPolarHBondContact O-CB 3.23Å; E255-R259 VanDerWaalsContact O-CG 3.24Å; E255-R259 WeakPolarHBondContact O-CG 3.21Å; E255-R259 PolarHBondContact O-N 3.18Å
256	L	98.3	Very high	98	Very high	34 Å²	34	56.7 Å²	56.7	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-67.8	-45.1	170.1	-170.9	67.3	0	0	0	112	I251 N252 L253 Y254 K258 R259 N260 F265 F273 L301	I251-L256 HydrophobicContact CD1-CB 4.06Å; I251-L256 HydrophobicContact CD1-CD1 4.05Å; N252-L256 PolarHBondContact O-N 3.44Å; N252-L256 VanDerWaalsContact O-N 3.08Å; L253-L256 HydrophobicContact CD2-CD2 3.89Å; L253-L256 WeakPolarHBondContact O-CB 3.4Å; L253-L256 PolarHBondContact O-N 3.46Å; Y254-L256 PolarHBondContact O-N 2.73Å; L256-K258 VanDerWaalsContact C-N 3.31Å; L256-K258 PolarHBondContact O-N 3.23Å; L256-R259 PolarHBondContact O-N 3.16Å; L256-N260 WeakPolarHBondContact O-CB 3.17Å; L256-N260 PolarHBondContact O-N 3.49Å; L256-F265 HydrophobicContact CB-CZ 4.32Å; L256-F265 HydrophobicContact CD2-CE1 4.49Å; L256-F265 HydrophobicContact CD2-CE2 4.36Å; L256-F265 HydrophobicContact CD2-CZ 3.94Å; L256-F265 HydrophobicContact CG-CE1 4.25Å; L256-F265 HydrophobicContact CG-CE2 4.48Å; L256-F265 HydrophobicContact CG-CZ 3.69Å; L256-F273 HydrophobicContact CD2-CE2 4.17Å; L256-F273 HydrophobicContact CD2-CZ 3.78Å; L256-L301 HydrophobicContact CD1-CD1 4.11Å; L256-L301 HydrophobicContact CD2-CD1 4.21Å; L256-L301 HydrophobicContact CD2-CD2 4.31Å
257	I	98.5	Very high	97.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-45.8	175	-66.8	159.7	0	0	0	110.2	L253 Y254 N260 K261 F262 F265 E359 L360	L253-I257 VanDerWaalsContact O-CG1 3.32Å; L253-I257 WeakPolarHBondContact O-CG1 3.22Å; L253-I257 PolarHBondContact O-N 3.46Å; Y254-I257 WeakPolarHBondContact O-CB 3.48Å; Y254-I257 PolarHBondContact O-N 2.96Å; Y254-I257 VanDerWaalsContact O-N 3.16Å; I257-N260 CarbonylContact O-C 3.49Å; I257-N260 VanDerWaalsContact O-C 3.25Å; I257-N260 WeakPolarHBondContact O-CA 3.45Å; I257-N260 PolarHBondContact O-N 2.82Å; I257-N260 VanDerWaalsContact O-N 3.16Å; I257-K261 PolarHBondContact O-N 3.14Å; I257-F262 HydrophobicContact CG2-CD1 3.66Å; I257-F262 HydrophobicContact CG2-CE1 4.24Å; I257-F262 HydrophobicContact CG2-CG 4.42Å; I257-F262 PolarHBondContact O-N 3.31Å; I257-F265 HydrophobicContact CG1-CE2 3.63Å; I257-F265 HydrophobicContact CG1-CZ 4.06Å; I257-E359 HydrophobicContact CD1-CG 3.9Å; I257-L360 HydrophobicContact CD1-CD2 4.06Å; I257-L360 HydrophobicContact CG1-CD2 4.19Å
258	K	98.2	Very high	97.8	Very high	96 Å²	96	60.2 Å²	60.2	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-41.8	179.2	179.7	175.8	162	-162	0	112.8	Y254 E255 L256 N260 K261 F262	Y254-K258 HydrophobicContact CE1-CD 4.32Å; Y254-K258 WeakPolarHBondContact O-CB 3.45Å; Y254-K258 PolarHBondContact O-N 2.79Å; E255-K258 IonicContact OE1-NZ 3.01Å; E255-K258 PolarHBondContact OE1-NZ 2.67Å; E255-K258 IonicContact OE2-NZ 3.15Å; E255-K258 PolarHBondContact OE2-NZ 2.73Å; L256-K258 VanDerWaalsContact C-N 3.31Å; L256-K258 PolarHBondContact O-N 3.23Å; K258-N260 VanDerWaalsContact C-N 3.25Å; K258-N260 PolarHBondContact O-N 3.14Å; K258-K261 WeakPolarHBondContact O-CA 3.32Å; K258-K261 PolarHBondContact O-N 2.87Å; K258-F262 HydrophobicContact CB-CE1 4.27Å; K258-F262 HydrophobicContact CB-CE2 4.43Å; K258-F262 HydrophobicContact CB-CZ 3.88Å; K258-F262 HydrophobicContact CG-CE2 4.24Å; K258-F262 HydrophobicContact CG-CZ 3.9Å
259	R	97.5	Very high	97.8	Very high	141 Å²	141	59.6 Å²	59.6	53%	0.532	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-34.9	170.9	-78.2	177.7	-175.5	-157.6	0.1	112.1	E255 L256 K261	E255-R259 WeakPolarHBondContact O-CB 3.23Å; E255-R259 VanDerWaalsContact O-CG 3.24Å; E255-R259 WeakPolarHBondContact O-CG 3.21Å; E255-R259 PolarHBondContact O-N 3.18Å; L256-R259 PolarHBondContact O-N 3.16Å; R259-K261 PolarHBondContact O-N 3.29Å
260	N	97.5	Very high	97.8	Very high	62 Å²	62	58.4 Å²	58.4	33%	0.332	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	19.8	171.8	-163.7	44.7	0	0	0	113.4	L256 I257 K258 F262 Q263 G264 F265	L256-N260 WeakPolarHBondContact O-CB 3.17Å; L256-N260 PolarHBondContact O-N 3.49Å; I257-N260 CarbonylContact O-C 3.49Å; I257-N260 VanDerWaalsContact O-C 3.25Å; I257-N260 WeakPolarHBondContact O-CA 3.45Å; I257-N260 PolarHBondContact O-N 2.82Å; I257-N260 VanDerWaalsContact O-N 3.16Å; K258-N260 VanDerWaalsContact C-N 3.25Å; K258-N260 PolarHBondContact O-N 3.14Å; N260-F262 PolarHBondContact O-N 2.8Å; N260-Q263 WeakPolarHBondContact O-CB 3.36Å; N260-Q263 WeakPolarHBondContact O-CG 3.47Å; N260-Q263 PolarHBondContact O-N 2.87Å; N260-G264 PolarHBondContact ND2-O 2.99Å; N260-F265 HydrophobicContact CB-CE1 3.69Å; N260-F265 HydrophobicContact CB-CZ 4.21Å; N260-F265 WeakPolarHBondContact ND2-CE1 3.08Å
261	K	98.3	Very high	97.9	Very high	161 Å²	161	58.8 Å²	58.8	70%	0.7	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	35.7	174.5	-55.5	179.4	-177.7	177.4	0	113.9	I257 K258 R259 Q263	I257-K261 PolarHBondContact O-N 3.14Å; K258-K261 WeakPolarHBondContact O-CA 3.32Å; K258-K261 PolarHBondContact O-N 2.87Å; R259-K261 PolarHBondContact O-N 3.29Å; K261-Q263 HydrophobicContact CB-CG 4.39Å; K261-Q263 PolarHBondContact O-N 2.77Å; K261-Q263 VanDerWaalsContact O-N 3.1Å; K261-Q263 PolarHBondContact O-NE2 2.95Å
262	F	98.1	Very high	97.9	Very high	65 Å²	65	61 Å²	61	29%	0.285	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	24.5	-179.1	-49.9	-86.1	0	0	0	114.4	I257 K258 N260 G264 G363 Y364	I257-F262 HydrophobicContact CG2-CD1 3.66Å; I257-F262 HydrophobicContact CG2-CE1 4.24Å; I257-F262 HydrophobicContact CG2-CG 4.42Å; I257-F262 PolarHBondContact O-N 3.31Å; K258-F262 HydrophobicContact CB-CE1 4.27Å; K258-F262 HydrophobicContact CB-CE2 4.43Å; K258-F262 HydrophobicContact CB-CZ 3.88Å; K258-F262 HydrophobicContact CG-CE2 4.24Å; K258-F262 HydrophobicContact CG-CZ 3.9Å; N260-F262 PolarHBondContact O-N 2.8Å; F262-G264 PolarHBondContact O-N 2.6Å; F262-G363 WeakPolarHBondContact CD1-O 3.29Å; F262-Y364 HydrophobicContact CB-CE2 3.79Å; F262-Y364 VanDerWaalsContact O-CE2 3.3Å; F262-Y364 WeakPolarHBondContact O-CE2 3.34Å
263	Q	98.2	Very high	97.9	Very high	137 Å²	137	59.4 Å²	59.4	64%	0.64	28%	0.278	S	S	*	.			trans	-76.5	-8.8	178.3	-61.2	-55.6	-64	0	0	113.7	N260 K261	N260-Q263 WeakPolarHBondContact O-CB 3.36Å; N260-Q263 WeakPolarHBondContact O-CG 3.47Å; N260-Q263 PolarHBondContact O-N 2.87Å; K261-Q263 HydrophobicContact CB-CG 4.39Å; K261-Q263 PolarHBondContact O-N 2.77Å; K261-Q263 VanDerWaalsContact O-N 3.1Å; K261-Q263 PolarHBondContact O-NE2 2.95Å
264	G	98	Very high	97.9	Very high	9 Å²	9	59.4 Å²	59.4	9%	0.093	28%	0.278	C	S	.	.			trans	76.8	168.8	-173.7	0	0	0	0	0	113.5	N260 F262 L361	N260-G264 PolarHBondContact ND2-O 2.99Å; F262-G264 PolarHBondContact O-N 2.6Å; G264-L361 WeakPolarHBondContact CA-O 3.41Å
265	F	98.4	Very high	97.9	Very high	18 Å²	18	61.6 Å²	61.6	8%	0.079	29%	0.286	C	S	.	.			trans	-111.9	154.8	-178.6	-59.2	-56	0	0	0	112	L256 I257 N260 L269 V270 L360 L361	L256-F265 HydrophobicContact CB-CZ 4.32Å; L256-F265 HydrophobicContact CD2-CE1 4.49Å; L256-F265 HydrophobicContact CD2-CE2 4.36Å; L256-F265 HydrophobicContact CD2-CZ 3.94Å; L256-F265 HydrophobicContact CG-CE1 4.25Å; L256-F265 HydrophobicContact CG-CE2 4.48Å; L256-F265 HydrophobicContact CG-CZ 3.69Å; I257-F265 HydrophobicContact CG1-CE2 3.63Å; I257-F265 HydrophobicContact CG1-CZ 4.06Å; N260-F265 HydrophobicContact CB-CE1 3.69Å; N260-F265 HydrophobicContact CB-CZ 4.21Å; N260-F265 WeakPolarHBondContact ND2-CE1 3.08Å; F265-L269 HydrophobicContact CB-CB 4.4Å; F265-L269 HydrophobicContact CB-CD2 4.13Å; F265-L269 HydrophobicContact CB-CG 4.45Å; F265-L269 HydrophobicContact CD1-CD2 3.95Å; F265-L269 HydrophobicContact CG-CD2 4.05Å; F265-V270 HydrophobicContact CB-CG2 4.02Å; F265-L360 WeakPolarHBondContact CB-O 3.36Å; F265-L360 HydrophobicContact CD2-CB 4.12Å; F265-L360 HydrophobicContact CD2-CD2 3.86Å; F265-L360 WeakPolarHBondContact CD2-O 3.04Å; F265-L360 HydrophobicContact CE2-CD2 3.69Å; F265-L360 PolarHBondContact N-O 3.43Å; F265-L361 PolarHBondContact N-O 3.49Å; F265-L361 WeakPolarHBondContact O-CD1 3.45Å
266	S	98.1	Very high	97.9	Very high	73 Å²	73	59.5 Å²	59.5	51%	0.51	28%	0.279	S	S	.	.			trans	-61.4	144.5	173.7	68.2	0	0	0	0	111.4	M268 L269 V270	S266-M268 PolarHBondContact O-N 3.5Å; S266-L269 PolarHBondContact O-N 3.05Å; S266-V270 PolarHBondContact O-N 3.47Å
267	L	96.6	Very high	97.9	Very high	36 Å²	36	57.9 Å²	57.9	19%	0.188	27%	0.27	C	S	.	.	H	α-helix	trans	-52.1	-29.5	177.2	-78.1	170.2	0	0	0	113.1	R271 L361 D450 F453	L267-R271 WeakPolarHBondContact O-CB 3.27Å; L267-R271 PolarHBondContact O-N 3.38Å; L267-L361 HydrophobicContact CD2-CD1 3.76Å; L267-L361 HydrophobicContact CD2-CD2 3.96Å; L267-L361 HydrophobicContact CD2-CG 4.47Å; L267-L361 HydrophobicContact CG-CD1 3.91Å; L267-D450 HydrophobicContact CD1-CB 4.06Å; L267-F453 HydrophobicContact CD2-CB 4.07Å; L267-F453 HydrophobicContact CD2-CD1 3.95Å; L267-F453 HydrophobicContact CD2-CD2 4.29Å; L267-F453 HydrophobicContact CD2-CE1 4.47Å; L267-F453 HydrophobicContact CD2-CG 3.83Å
268	M	96.3	Very high	98	Very high	105 Å²	105	57.9 Å²	57.9	52%	0.517	27%	0.27	S	S	.	.	H	α-helix	trans	-66.9	-39.2	174.6	-178.1	174	61.9	0	0	112.8	S266 K272	S266-M268 PolarHBondContact O-N 3.5Å; M268-K272 PolarHBondContact O-N 3.33Å
269	L	97.5	Very high	98	Very high	46 Å²	46	55.1 Å²	55.1	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-74.6	-41.4	176.3	-178.5	56.9	0	0	0	111.1	F265 S266 R271 K272 F273	F265-L269 HydrophobicContact CB-CB 4.4Å; F265-L269 HydrophobicContact CB-CD2 4.13Å; F265-L269 HydrophobicContact CB-CG 4.45Å; F265-L269 HydrophobicContact CD1-CD2 3.95Å; F265-L269 HydrophobicContact CG-CD2 4.05Å; S266-L269 PolarHBondContact O-N 3.05Å; L269-R271 VanDerWaalsContact C-N 3.27Å; L269-R271 PolarHBondContact O-N 2.87Å; L269-K272 WeakPolarHBondContact O-CB 3.21Å; L269-K272 PolarHBondContact O-N 3.46Å; L269-K272 VanDerWaalsContact O-N 3.09Å; L269-F273 HydrophobicContact CD1-CD2 4.28Å; L269-F273 HydrophobicContact CD1-CE1 4.31Å; L269-F273 HydrophobicContact CD1-CE2 3.74Å; L269-F273 HydrophobicContact CD1-CZ 3.76Å; L269-F273 HydrophobicContact CD2-CE2 4.01Å; L269-F273 HydrophobicContact CD2-CZ 4.39Å; L269-F273 HydrophobicContact CG-CD2 4.07Å; L269-F273 HydrophobicContact CG-CE2 3.56Å; L269-F273 HydrophobicContact CG-CZ 4.07Å; L269-F273 WeakPolarHBondContact O-CD2 3.43Å; L269-F273 PolarHBondContact O-N 3.26Å
270	V	98.6	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-41.9	173	-178	0	0	0	0	110.8	F265 S266 K272 F273 A274 L357 L360 L361 F453 W479	F265-V270 HydrophobicContact CB-CG2 4.02Å; S266-V270 PolarHBondContact O-N 3.47Å; V270-K272 PolarHBondContact O-N 2.94Å; V270-F273 PolarHBondContact O-N 2.83Å; V270-A274 WeakPolarHBondContact O-CB 3.38Å; V270-A274 PolarHBondContact O-N 2.76Å; V270-L357 HydrophobicContact CG1-CB 4.22Å; V270-L357 HydrophobicContact CG1-CD2 3.84Å; V270-L360 HydrophobicContact CG1-CB 4.43Å; V270-L360 HydrophobicContact CG2-CB 4.13Å; V270-L361 HydrophobicContact CG2-CB 4.18Å; V270-L361 HydrophobicContact CG2-CD1 4.45Å; V270-F453 HydrophobicContact CG1-CE2 4.1Å; V270-F453 HydrophobicContact CG1-CZ 4.28Å; V270-W479 HydrophobicContact CG1-CH2 4.17Å; V270-W479 HydrophobicContact CG1-CZ2 4.33Å
271	R	97.8	Very high	98.1	Very high	40 Å²	40	45.8 Å²	45.8	15%	0.151	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-40.2	173.9	-176.6	179.7	-62.4	105.3	8.8	113.2	L267 L269 A274 Y275 W479 L480	L267-R271 WeakPolarHBondContact O-CB 3.27Å; L267-R271 PolarHBondContact O-N 3.38Å; L269-R271 VanDerWaalsContact C-N 3.27Å; L269-R271 PolarHBondContact O-N 2.87Å; R271-A274 PolarHBondContact O-N 3.14Å; R271-Y275 PolarHBondContact O-N 2.67Å; R271-W479 HydrophobicContact CB-CH2 4.22Å; R271-W479 HydrophobicContact CB-CZ2 3.89Å; R271-W479 PolarHBondContact NE-O 3.21Å; R271-W479 VanDerWaalsContact NH2-NE1 3.15Å; R271-L480 HydrophobicContact CG-CD2 3.75Å
272	K	97.3	Very high	98.1	Very high	81 Å²	81	39.1 Å²	39.1	35%	0.352	19%	0.192	S	C	.	.	H	α-helix	trans	-64.9	-46.4	176.1	-73.8	-178.9	178.6	-174.6	0	111.4	M268 L269 V270 Y275 S276	M268-K272 PolarHBondContact O-N 3.33Å; L269-K272 WeakPolarHBondContact O-CB 3.21Å; L269-K272 PolarHBondContact O-N 3.46Å; L269-K272 VanDerWaalsContact O-N 3.09Å; V270-K272 PolarHBondContact O-N 2.94Å; K272-Y275 PolarHBondContact O-N 2.8Å; K272-S276 PolarHBondContact O-N 3.07Å; K272-S276 PolarHBondContact O-OG 3.22Å
273	F	98.6	Very high	98.1	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-41.4	175.8	-65.5	-43.6	0	0	0	112.2	L253 L256 L269 V270 Y275 S276 M277 L301 S307 I309 L360	L253-F273 HydrophobicContact CD1-CG 4.42Å; L253-F273 HydrophobicContact CD2-CD1 4.32Å; L253-F273 HydrophobicContact CD2-CE1 3.89Å; L253-F273 HydrophobicContact CD2-CE2 4.12Å; L253-F273 HydrophobicContact CD2-CZ 3.77Å; L256-F273 HydrophobicContact CD2-CE2 4.17Å; L256-F273 HydrophobicContact CD2-CZ 3.78Å; L269-F273 HydrophobicContact CD1-CD2 4.28Å; L269-F273 HydrophobicContact CD1-CE1 4.31Å; L269-F273 HydrophobicContact CD1-CE2 3.74Å; L269-F273 HydrophobicContact CD1-CZ 3.76Å; L269-F273 HydrophobicContact CD2-CE2 4.01Å; L269-F273 HydrophobicContact CD2-CZ 4.39Å; L269-F273 HydrophobicContact CG-CD2 4.07Å; L269-F273 HydrophobicContact CG-CE2 3.56Å; L269-F273 HydrophobicContact CG-CZ 4.07Å; L269-F273 WeakPolarHBondContact O-CD2 3.43Å; L269-F273 PolarHBondContact O-N 3.26Å; V270-F273 PolarHBondContact O-N 2.83Å; F273-Y275 PolarHBondContact O-N 2.71Å; F273-S276 PolarHBondContact O-N 3.2Å; F273-M277 HydrophobicContact CB-CE 4.17Å; F273-M277 WeakPolarHBondContact O-CB 3.27Å; F273-M277 WeakPolarHBondContact O-CE 3.36Å; F273-M277 WeakPolarHBondContact O-CG 3.13Å; F273-M277 PolarHBondContact O-N 2.81Å; F273-L301 HydrophobicContact CE1-CD2 3.85Å; F273-L301 HydrophobicContact CZ-CD2 4.11Å; F273-S307 WeakPolarHBondContact CE1-O 3.03Å; F273-I309 HydrophobicContact CD1-CG2 3.73Å; F273-I309 HydrophobicContact CE1-CG2 3.72Å; F273-L360 HydrophobicContact CB-CD1 4.15Å; F273-L360 HydrophobicContact CD2-CD1 4.11Å; F273-L360 HydrophobicContact CD2-CD2 4.42Å
274	A	98.7	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.6	-51.1	174	0	0	0	0	0	112	V270 R271 S276 M277 L278 L357 W479 L480	V270-A274 WeakPolarHBondContact O-CB 3.38Å; V270-A274 PolarHBondContact O-N 2.76Å; R271-A274 PolarHBondContact O-N 3.14Å; A274-S276 PolarHBondContact O-N 2.81Å; A274-M277 PolarHBondContact O-N 2.99Å; A274-L278 WeakPolarHBondContact O-CB 3.39Å; A274-L278 WeakPolarHBondContact O-CD1 3.43Å; A274-L278 VanDerWaalsContact O-CG 3.22Å; A274-L278 WeakPolarHBondContact O-CG 3.33Å; A274-L278 PolarHBondContact O-N 2.91Å; A274-L357 HydrophobicContact CB-CD1 3.83Å; A274-L357 HydrophobicContact CB-CD2 3.6Å; A274-L357 HydrophobicContact CB-CG 4.37Å; A274-W479 HydrophobicContact CB-CH2 3.69Å; A274-W479 HydrophobicContact CB-CZ3 3.57Å; A274-L480 HydrophobicContact CB-CD2 4.05Å
275	Y	98.3	Very high	98	Very high	123 Å²	123	32.1 Å²	32.1	48%	0.482	16%	0.158	S	C	.	.	H	α-helix	trans	-58.8	-49.1	178.5	-177	-97.3	0	0	0	112	R271 K272 F273 M277 L278 L279 L475	R271-Y275 PolarHBondContact O-N 2.67Å; K272-Y275 PolarHBondContact O-N 2.8Å; F273-Y275 PolarHBondContact O-N 2.71Å; Y275-M277 PolarHBondContact O-N 2.99Å; Y275-L278 PolarHBondContact O-N 3.37Å; Y275-L279 HydrophobicContact CD1-CD1 4.2Å; Y275-L279 HydrophobicContact CE1-CD1 3.69Å; Y275-L279 HydrophobicContact CE1-CD2 4.44Å; Y275-L279 HydrophobicContact CE1-CG 4.18Å; Y275-L279 PolarHBondContact O-N 3.3Å; Y275-L279 VanDerWaalsContact O-N 3.13Å; Y275-L475 HydrophobicContact CD2-CD2 3.78Å; Y275-L475 HydrophobicContact CE2-CD2 3.79Å
276	S	98	Very high	98	Very high	20 Å²	20	37.7 Å²	37.7	14%	0.14	18%	0.183	C	C	.	.	H	α-helix	trans	-65	-36.2	180	-66.8	0	0	0	0	113.8	N228 K272 F273 A274	N228-S276 PolarHBondContact ND2-O 3.02Å; K272-S276 PolarHBondContact O-N 3.07Å; K272-S276 PolarHBondContact O-OG 3.22Å; F273-S276 PolarHBondContact O-N 3.2Å; A274-S276 PolarHBondContact O-N 2.81Å
277	M	98.8	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.8	-38.1	173.8	-73	-175.2	-73.6	0	0	111.7	F273 A274 Y275 L279 C280 L281 V299 I309 L353 I356 L357 L360	F273-M277 HydrophobicContact CB-CE 4.17Å; F273-M277 WeakPolarHBondContact O-CB 3.27Å; F273-M277 WeakPolarHBondContact O-CE 3.36Å; F273-M277 WeakPolarHBondContact O-CG 3.13Å; F273-M277 PolarHBondContact O-N 2.81Å; A274-M277 PolarHBondContact O-N 2.99Å; Y275-M277 PolarHBondContact O-N 2.99Å; M277-L279 VanDerWaalsContact C-N 3.32Å; M277-L279 PolarHBondContact O-N 3.39Å; M277-C280 WeakPolarHBondContact O-CB 3.3Å; M277-C280 PolarHBondContact O-N 3.04Å; M277-C280 VanDerWaalsContact O-N 3.14Å; M277-L281 PolarHBondContact O-N 3.1Å; M277-V299 HydrophobicContact CG-CG1 4.25Å; M277-V299 HydrophobicContact CG-CG2 4.43Å; M277-V299 HydrophobicContact SD-CG1 4.32Å; M277-V299 HydrophobicContact SD-CG2 3.93Å; M277-I309 HydrophobicContact CG-CD1 4.13Å; M277-L353 HydrophobicContact CB-CD1 3.98Å; M277-L353 HydrophobicContact CE-CD1 3.53Å; M277-L353 HydrophobicContact SD-CD1 3.95Å; M277-I356 HydrophobicContact CE-CG2 4.04Å; M277-I356 HydrophobicContact SD-CG2 4.22Å; M277-L357 HydrophobicContact CE-CD2 3.72Å; M277-L360 HydrophobicContact CE-CD1 4.28Å
278	L	98.7	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-31.2	178	-76.7	166.9	0	0	0	113.6	A274 Y275 C280 L281 D282 M350 L353 F456 P471 A474 L475 L480	A274-L278 WeakPolarHBondContact O-CB 3.39Å; A274-L278 WeakPolarHBondContact O-CD1 3.43Å; A274-L278 VanDerWaalsContact O-CG 3.22Å; A274-L278 WeakPolarHBondContact O-CG 3.33Å; A274-L278 PolarHBondContact O-N 2.91Å; Y275-L278 PolarHBondContact O-N 3.37Å; L278-C280 VanDerWaalsContact C-N 3.26Å; L278-C280 PolarHBondContact O-N 2.76Å; L278-L281 PolarHBondContact O-N 3.39Å; L278-D282 VanDerWaalsContact O-CB 3.22Å; L278-D282 WeakPolarHBondContact O-CB 3.46Å; L278-D282 PolarHBondContact O-N 3.38Å; L278-M350 HydrophobicContact CD2-CE 4Å; L278-M350 HydrophobicContact CD2-SD 3.88Å; L278-L353 HydrophobicContact CD2-CD2 3.58Å; L278-L353 HydrophobicContact CG-CD2 3.91Å; L278-F456 HydrophobicContact CD1-CZ 4.16Å; L278-P471 HydrophobicContact CD2-CB 3.95Å; L278-A474 HydrophobicContact CD1-CB 3.83Å; L278-A474 HydrophobicContact CD2-CB 3.63Å; L278-A474 HydrophobicContact CG-CB 4.41Å; L278-L475 HydrophobicContact CB-CD2 3.71Å; L278-L475 HydrophobicContact CB-CG 3.98Å; L278-L475 HydrophobicContact CD1-CD2 4.24Å; L278-L475 HydrophobicContact CD1-CG 4.42Å; L278-L480 HydrophobicContact CD1-CD1 3.32Å
279	L	98.1	Very high	98.1	Very high	39 Å²	39	35.5 Å²	35.5	20%	0.204	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-34.6	172.3	-66.2	178.7	0	0	0	112.2	H227 Y275 M277 L475	H227-L279 CarbonylContact O-C 3.58Å; Y275-L279 HydrophobicContact CD1-CD1 4.2Å; Y275-L279 HydrophobicContact CE1-CD1 3.69Å; Y275-L279 HydrophobicContact CE1-CD2 4.44Å; Y275-L279 HydrophobicContact CE1-CG 4.18Å; Y275-L279 PolarHBondContact O-N 3.3Å; Y275-L279 VanDerWaalsContact O-N 3.13Å; M277-L279 VanDerWaalsContact C-N 3.32Å; M277-L279 PolarHBondContact O-N 3.39Å; L279-L475 HydrophobicContact CD2-CD2 4.47Å
280	C	98.5	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.7	-55.3	171.5	173.7	0	0	0	0	110.3	H227 I229 M277 L278 D282 L283 L284 V311	H227-C280 WeakPolarHBondContact O-CA 3.47Å; H227-C280 VanDerWaalsContact O-CB 3.27Å; H227-C280 WeakPolarHBondContact O-CB 3.32Å; H227-C280 PolarHBondContact O-N 2.9Å; H227-C280 VanDerWaalsContact O-N 3.11Å; I229-C280 HydrophobicContact CG1-CB 4.19Å; I229-C280 VanDerWaalsContact CG1-SG 3.54Å; M277-C280 WeakPolarHBondContact O-CB 3.3Å; M277-C280 PolarHBondContact O-N 3.04Å; M277-C280 VanDerWaalsContact O-N 3.14Å; L278-C280 VanDerWaalsContact C-N 3.26Å; L278-C280 PolarHBondContact O-N 2.76Å; C280-D282 VanDerWaalsContact C-N 3.27Å; C280-D282 PolarHBondContact O-N 3.39Å; C280-L283 PolarHBondContact O-N 2.94Å; C280-L284 WeakPolarHBondContact O-CG 3.45Å; C280-L284 PolarHBondContact O-N 2.91Å; C280-V311 HydrophobicContact CB-CB 4.49Å; C280-V311 HydrophobicContact CB-CG2 3.84Å
281	L	98.7	Very high	98.1	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-32.1	-175.6	-62.5	-178.1	0	0	0	113.4	M277 L278 L284 Q285 L294 D349 M350 L353 P471	M277-L281 PolarHBondContact O-N 3.1Å; L278-L281 PolarHBondContact O-N 3.39Å; L281-L284 HydrophobicContact CD2-CD1 4.23Å; L281-L284 PolarHBondContact O-N 2.81Å; L281-Q285 WeakPolarHBondContact O-CB 3.29Å; L281-Q285 PolarHBondContact O-N 2.8Å; L281-L294 HydrophobicContact CD1-CD2 4.18Å; L281-L294 HydrophobicContact CD2-CD2 4.28Å; L281-D349 HydrophobicContact CD2-CB 3.89Å; L281-M350 HydrophobicContact CD1-SD 3.93Å; L281-L353 HydrophobicContact CD1-CB 4.27Å; L281-L353 HydrophobicContact CD1-CD2 4.14Å; L281-P471 HydrophobicContact CB-CB 4.06Å; L281-P471 HydrophobicContact CB-CG 3.68Å
282	D	98.4	Very high	98.1	Very high	21 Å²	21	31.4 Å²	31.4	11%	0.112	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-37.7	174.5	-171.9	68.7	0	0	0	112.1	L278 C280 K286 P471 L475	L278-D282 VanDerWaalsContact O-CB 3.22Å; L278-D282 WeakPolarHBondContact O-CB 3.46Å; L278-D282 PolarHBondContact O-N 3.38Å; C280-D282 VanDerWaalsContact C-N 3.27Å; C280-D282 PolarHBondContact O-N 3.39Å; D282-K286 WeakPolarHBondContact O-CD 3.42Å; D282-K286 VanDerWaalsContact O-CG 3.31Å; D282-K286 WeakPolarHBondContact O-CG 3.43Å; D282-K286 PolarHBondContact O-N 3.11Å; D282-K286 VanDerWaalsContact O-N 3.1Å; D282-K286 WeakPolarHBondContact OD2-CE 3.24Å; D282-K286 IonicContact OD2-NZ 3.84Å; D282-K286 PolarHBondContact OD2-NZ 3.44Å; D282-P471 HydrophobicContact CB-CB 3.95Å; D282-L475 HydrophobicContact CB-CD1 4.1Å
283	L	97.9	Very high	98.1	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-68.7	-40.8	171.9	-171.1	66	0	0	0	111.8	L218 Q221 H227 I229 C280 Q285 K286 N287	L218-L283 HydrophobicContact CD2-CD2 4.02Å; L218-L283 HydrophobicContact CD2-CG 4.18Å; Q221-L283 HydrophobicContact CB-CD1 4.13Å; Q221-L283 HydrophobicContact CB-CD2 4.26Å; H227-L283 HydrophobicContact CB-CB 4.39Å; H227-L283 HydrophobicContact CB-CD2 3.89Å; I229-L283 HydrophobicContact CD1-CD2 3.71Å; C280-L283 PolarHBondContact O-N 2.94Å; L283-Q285 VanDerWaalsContact C-N 3.33Å; L283-Q285 PolarHBondContact O-N 2.85Å; L283-K286 PolarHBondContact O-N 3.49Å; L283-N287 PolarHBondContact O-N 3.33Å; L283-N287 VanDerWaalsContact O-N 3.14Å; L283-N287 PolarHBondContact O-ND2 2.94Å
284	L	98.3	Very high	98.1	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-61.2	-43.9	175.4	-58.2	-168.1	0	0	0	110.9	L218 I229 C280 L281 K286 N287 R288 L289 H291 F314	L218-L284 HydrophobicContact CD1-CD2 3.7Å; L218-L284 HydrophobicContact CD2-CD2 3.83Å; L218-L284 HydrophobicContact CG-CD2 4.44Å; I229-L284 HydrophobicContact CD1-CD2 4.48Å; C280-L284 WeakPolarHBondContact O-CG 3.45Å; C280-L284 PolarHBondContact O-N 2.91Å; L281-L284 HydrophobicContact CD2-CD1 4.23Å; L281-L284 PolarHBondContact O-N 2.81Å; L284-K286 PolarHBondContact O-N 3.05Å; L284-N287 CarbonylContact O-C 3.55Å; L284-N287 PolarHBondContact O-N 3.28Å; L284-N287 VanDerWaalsContact O-N 3.09Å; L284-R288 PolarHBondContact O-N 3.24Å; L284-L289 HydrophobicContact CB-CB 4.16Å; L284-L289 HydrophobicContact CD2-CB 4.3Å; L284-L289 HydrophobicContact CD2-CD1 4.43Å; L284-L289 PolarHBondContact O-N 3.19Å; L284-H291 HydrophobicContact CD1-CB 4.01Å; L284-F314 HydrophobicContact CD1-CE1 4.05Å; L284-F314 HydrophobicContact CD2-CE1 3.83Å; L284-F314 HydrophobicContact CD2-CZ 4.4Å
285	Q	97.7	Very high	98.1	Very high	54 Å²	54	28.6 Å²	28.6	25%	0.252	13%	0.126	S	C	.	.	H	α-helix	trans	-61.4	-44.5	177.6	-172.2	176.5	-91.8	0	0	112.3	L281 L283 N287 R288 M346 P471	L281-Q285 WeakPolarHBondContact O-CB 3.29Å; L281-Q285 PolarHBondContact O-N 2.8Å; L283-Q285 VanDerWaalsContact C-N 3.33Å; L283-Q285 PolarHBondContact O-N 2.85Å; Q285-N287 PolarHBondContact O-N 3.14Å; Q285-R288 PolarHBondContact O-N 3.01Å; Q285-M346 HydrophobicContact CB-SD 4.27Å; Q285-M346 HydrophobicContact CG-CE 4.37Å; Q285-M346 HydrophobicContact CG-SD 3.88Å; Q285-P471 HydrophobicContact CB-CG 4.49Å
286	K	97.2	Very high	98.1	Very high	136 Å²	136	22.8 Å²	22.8	59%	0.591	10%	0.103	S	C	*	.	H	α-helix	trans	-58.6	-31.6	175	-73.6	162.1	178.4	161.6	0	112.8	D282 L283 L284	D282-K286 WeakPolarHBondContact O-CD 3.42Å; D282-K286 VanDerWaalsContact O-CG 3.31Å; D282-K286 WeakPolarHBondContact O-CG 3.43Å; D282-K286 PolarHBondContact O-N 3.11Å; D282-K286 VanDerWaalsContact O-N 3.1Å; D282-K286 WeakPolarHBondContact OD2-CE 3.24Å; D282-K286 IonicContact OD2-NZ 3.84Å; D282-K286 PolarHBondContact OD2-NZ 3.44Å; L283-K286 PolarHBondContact O-N 3.49Å; L284-K286 PolarHBondContact O-N 3.05Å
287	N	97.4	Very high	98.1	Very high	24 Å²	24	25 Å²	25	13%	0.128	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4.7	178.9	-75.3	-82.6	0	0	0	114.1	H217 Q221 L283 L284 Q285 L289	H217-N287 PolarHBondContact NE2-OD1 3.18Å; Q221-N287 PolarHBondContact NE2-ND2 3.15Å; Q221-N287 PolarHBondContact NE2-OD1 3.22Å; Q221-N287 PolarHBondContact OE1-ND2 2.98Å; Q221-N287 PolarHBondContact OE1-OD1 3.36Å; L283-N287 PolarHBondContact O-N 3.33Å; L283-N287 VanDerWaalsContact O-N 3.14Å; L283-N287 PolarHBondContact O-ND2 2.94Å; L284-N287 CarbonylContact O-C 3.55Å; L284-N287 PolarHBondContact O-N 3.28Å; L284-N287 VanDerWaalsContact O-N 3.09Å; Q285-N287 PolarHBondContact O-N 3.14Å; N287-L289 HydrophobicContact CB-CD1 3.84Å; N287-L289 HydrophobicContact CB-CG 4.18Å; N287-L289 PolarHBondContact O-N 2.75Å
288	R	97.7	Very high	98.1	Very high	140 Å²	140	25.4 Å²	25.4	53%	0.528	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	34	-174.1	-57.5	-175.9	63.9	-173.2	-2.4	113.4	L284 Q285 F319 D320	L284-R288 PolarHBondContact O-N 3.24Å; Q285-R288 PolarHBondContact O-N 3.01Å; R288-F319 CarbonylContact O-C 3.45Å; R288-F319 WeakPolarHBondContact O-CA 3.45Å; R288-D320 HydrophobicContact CB-CB 4.24Å; R288-D320 IonicContact CZ-OD2 3.38Å; R288-D320 IonicContact NE-OD2 3.16Å; R288-D320 IonicContact NH2-OD2 2.8Å; R288-D320 PolarHBondContact NH2-OD2 2.89Å; R288-D320 WeakPolarHBondContact O-CB 3.41Å; R288-D320 PolarHBondContact O-N 2.85Å
289	L	97.9	Very high	98.1	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.3	178.8	-79.6	166.5	0	0	0	111	I214 L218 L284 N287 F319	I214-L289 HydrophobicContact CD1-CD2 3.94Å; I214-L289 HydrophobicContact CG1-CD2 3.94Å; I214-L289 HydrophobicContact CG2-CD1 4.04Å; I214-L289 HydrophobicContact CG2-CD2 4.13Å; L218-L289 HydrophobicContact CD1-CD1 4.18Å; L218-L289 HydrophobicContact CD2-CD1 3.86Å; L218-L289 HydrophobicContact CG-CD1 4.05Å; L284-L289 HydrophobicContact CB-CB 4.16Å; L284-L289 HydrophobicContact CD2-CB 4.3Å; L284-L289 HydrophobicContact CD2-CD1 4.43Å; L284-L289 PolarHBondContact O-N 3.19Å; N287-L289 HydrophobicContact CB-CD1 3.84Å; N287-L289 HydrophobicContact CB-CG 4.18Å; N287-L289 PolarHBondContact O-N 2.75Å; L289-F319 HydrophobicContact CD1-CE1 4.24Å; L289-F319 HydrophobicContact CD2-CD1 3.6Å; L289-F319 HydrophobicContact CD2-CD2 3.95Å; L289-F319 HydrophobicContact CD2-CE1 3.6Å; L289-F319 HydrophobicContact CD2-CE2 3.93Å; L289-F319 HydrophobicContact CD2-CG 3.79Å; L289-F319 HydrophobicContact CD2-CZ 3.77Å; L289-F319 HydrophobicContact CG-CD1 3.9Å; L289-F319 HydrophobicContact CG-CE1 3.78Å; L289-F319 HydrophobicContact CG-CZ 4.32Å
290	I	98.4	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128	175.1	-43.2	172.7	0	0	0	107.4	C292 S317 C318 D320 R323 Y344 M346 I348 D349	I290-C292 VanDerWaalsContact CG2-SG 3.5Å; I290-S317 WeakPolarHBondContact O-CA 3.38Å; I290-S317 VanDerWaalsContact O-CB 3.23Å; I290-S317 WeakPolarHBondContact O-CB 3.42Å; I290-C318 PolarHBondContact N-O 2.93Å; I290-C318 PolarHBondContact O-N 3.17Å; I290-C318 VanDerWaalsContact O-N 3.09Å; I290-D320 HydrophobicContact CD1-CB 4.45Å; I290-R323 HydrophobicContact CD1-CG 4.39Å; I290-Y344 HydrophobicContact CD1-CD2 4.2Å; I290-Y344 HydrophobicContact CD1-CE2 3.99Å; I290-M346 HydrophobicContact CG1-CG 3.96Å; I290-I348 HydrophobicContact CG2-CD1 3.59Å; I290-I348 HydrophobicContact CG2-CG1 3.7Å; I290-D349 WeakPolarHBondContact CG2-OD2 3.49Å
291	H	98.4	Very high	98.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.113	C	C	.	.			trans	-72.1	-36.8	179.7	-171.8	-90.5	0	0	0	111.8	L284 D293 L294 V311 I312 F314 S317 D349	L284-H291 HydrophobicContact CD1-CB 4.01Å; H291-D293 VanDerWaalsContact ND1-C 3.32Å; H291-D293 PolarHBondContact O-N 2.94Å; H291-L294 PolarHBondContact ND1-N 2.77Å; H291-L294 VanDerWaalsContact ND1-N 3.18Å; H291-V311 WeakPolarHBondContact NE2-CG1 3.33Å; H291-I312 PolarHBondContact NE2-O 3.06Å; H291-I312 VanDerWaalsContact NE2-O 3.14Å; H291-F314 AromaticContact CD2-CE1 3.76Å; H291-F314 AromaticContact CD2-CZ 3.85Å; H291-S317 WeakPolarHBondContact CA-OG 3.49Å; H291-S317 PolarHBondContact O-OG 3.22Å; H291-S317 VanDerWaalsContact O-OG 3.06Å; H291-D349 PolarHBondContact N-OD2 2.89Å
292	C	97.9	Very high	98	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	13%	0.127	C	C	.	.	S	Bend	trans	65.4	-9.9	174.3	-64.2	0	0	0	0	117	I290 S316 I328 Q329 D349	I290-C292 VanDerWaalsContact CG2-SG 3.5Å; C292-S316 WeakPolarHBondContact CB-O 3.34Å; C292-I328 HydrophobicContact CB-CB 4.5Å; C292-I328 HydrophobicContact CB-CD1 4.21Å; C292-Q329 WeakPolarHBondContact O-CA 3.26Å; C292-Q329 WeakPolarHBondContact O-CG 3.25Å; C292-Q329 PolarHBondContact O-N 2.88Å; C292-D349 PolarHBondContact N-OD1 3.22Å; C292-D349 VanDerWaalsContact N-OD1 3.15Å
293	D	97.3	Very high	97.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	15%	0.149	C	C	.	.			trans	-146.2	48.6	171.9	-160.6	30	0	0	0	113.4	H291 K295 N298 S330	H291-D293 VanDerWaalsContact ND1-C 3.32Å; H291-D293 PolarHBondContact O-N 2.94Å; D293-K295 PolarHBondContact O-N 2.99Å; D293-K295 IonicContact OD1-NZ 2.68Å; D293-K295 IonicContact OD2-NZ 3.55Å; D293-K295 PolarHBondContact OD2-NZ 3.16Å; D293-N298 PolarHBondContact O-ND2 3.13Å; D293-S330 VanDerWaalsContact OD1-CB 3.27Å; D293-S330 WeakPolarHBondContact OD1-CB 3.47Å; D293-S330 PolarHBondContact OD1-N 2.91Å; D293-S330 PolarHBondContact OD1-OG 3.3Å; D293-S330 PolarHBondContact OD2-OG 2.85Å
294	L	98.7	Very high	97.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	18%	0.18	C	C	.	.			trans	-73.9	122.9	175.9	-168.3	75.5	0	0	0	110.3	L281 H291 V299 V311 L353 I356	L281-L294 HydrophobicContact CD1-CD2 4.18Å; L281-L294 HydrophobicContact CD2-CD2 4.28Å; H291-L294 PolarHBondContact ND1-N 2.77Å; H291-L294 VanDerWaalsContact ND1-N 3.18Å; L294-V299 HydrophobicContact CD1-CG2 4.29Å; L294-V311 HydrophobicContact CD1-CG1 3.79Å; L294-V311 HydrophobicContact CD1-CG2 4.39Å; L294-L353 HydrophobicContact CD2-CB 4.4Å; L294-I356 HydrophobicContact CD2-CD1 3.93Å; L294-I356 HydrophobicContact CG-CD1 3.72Å
295	K	98.6	Very high	97.2	Very high	22 Å²	22	43.7 Å²	43.7	10%	0.096	22%	0.218	C	C	.	.			trans	-159.3	164.5	-176.7	64.4	-167.3	-174.8	-148.9	0	110.9	D293 E297 N298 S330 Y333	D293-K295 PolarHBondContact O-N 2.99Å; D293-K295 IonicContact OD1-NZ 2.68Å; D293-K295 IonicContact OD2-NZ 3.55Å; D293-K295 PolarHBondContact OD2-NZ 3.16Å; K295-E297 HydrophobicContact CD-CB 4.48Å; K295-E297 HydrophobicContact CG-CB 4.23Å; K295-E297 WeakPolarHBondContact CG-OE2 3.49Å; K295-E297 PolarHBondContact O-N 3.06Å; K295-E297 VanDerWaalsContact O-N 3.17Å; K295-N298 WeakPolarHBondContact CE-ND2 3.24Å; K295-N298 WeakPolarHBondContact CE-OD1 3.26Å; K295-N298 HydrophobicContact CG-CB 3.98Å; K295-N298 PolarHBondContact O-N 3.44Å; K295-S330 WeakPolarHBondContact CD-OG 3.41Å; K295-S330 PolarHBondContact NZ-OG 3.16Å; K295-Y333 HydrophobicContact CB-CD2 3.54Å; K295-Y333 HydrophobicContact CB-CE2 3.53Å; K295-Y333 HydrophobicContact CB-CG 4.21Å
296	P	98.7	Very high	97.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-59.2	-27.9	-178.7	-23.3	34.9	0	0	0	114.1	L253 Y254 N298 Y333 I356	L253-P296 HydrophobicContact CB-CB 4.16Å; L253-P296 PolarHBondContact N-O 3.08Å; Y254-P296 PolarHBondContact N-O 3.18Å; P296-N298 VanDerWaalsContact C-N 3.32Å; P296-Y333 WeakPolarHBondContact CD-OH 3.18Å; P296-Y333 HydrophobicContact CG-CE1 4.05Å; P296-I356 HydrophobicContact CG-CG1 4.18Å; P296-I356 HydrophobicContact CG-CG2 4.44Å
297	E	97.7	Very high	97	Very high	66 Å²	66	45.1 Å²	45.1	31%	0.308	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-70.4	-26.8	174.8	-56.6	94.7	134.8	0	0	113.3	N252 Y254 K295 L300	N252-E297 VanDerWaalsContact CB-O 3.24Å; N252-E297 WeakPolarHBondContact CB-O 3.47Å; N252-E297 PolarHBondContact ND2-O 3.06Å; Y254-E297 HydrophobicContact CG-CG 4.36Å; K295-E297 HydrophobicContact CD-CB 4.48Å; K295-E297 HydrophobicContact CG-CB 4.23Å; K295-E297 WeakPolarHBondContact CG-OE2 3.49Å; K295-E297 PolarHBondContact O-N 3.06Å; K295-E297 VanDerWaalsContact O-N 3.17Å; E297-L300 WeakPolarHBondContact O-CD1 3.15Å
298	N	98.4	Very high	97	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.053	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-97.4	15.8	-178.8	-72.3	1.2	0	0	0	112.9	D293 K295 P296 I312	D293-N298 PolarHBondContact O-ND2 3.13Å; K295-N298 WeakPolarHBondContact CE-ND2 3.24Å; K295-N298 WeakPolarHBondContact CE-OD1 3.26Å; K295-N298 HydrophobicContact CG-CB 3.98Å; K295-N298 PolarHBondContact O-N 3.44Å; P296-N298 VanDerWaalsContact C-N 3.32Å; N298-I312 HydrophobicContact CB-CG1 4.16Å; N298-I312 PolarHBondContact O-N 3.44Å
299	V	98.7	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.9	171.3	-175.7	0	0	0	0	108.4	N252 L253 M277 L294 I309 V311	N252-V299 CarbonylContact C-O 3.59Å; N252-V299 VanDerWaalsContact CA-O 3.25Å; N252-V299 WeakPolarHBondContact CA-O 3.34Å; L253-V299 HydrophobicContact CD1-CB 3.86Å; L253-V299 HydrophobicContact CD1-CG1 3.57Å; L253-V299 HydrophobicContact CG-CB 4.06Å; L253-V299 HydrophobicContact CG-CG1 3.97Å; L253-V299 PolarHBondContact N-O 2.77Å; M277-V299 HydrophobicContact CG-CG1 4.25Å; M277-V299 HydrophobicContact CG-CG2 4.43Å; M277-V299 HydrophobicContact SD-CG1 4.32Å; M277-V299 HydrophobicContact SD-CG2 3.93Å; L294-V299 HydrophobicContact CD1-CG2 4.29Å; V299-I309 HydrophobicContact CG1-CB 3.79Å; V299-I309 HydrophobicContact CG1-CD1 4.01Å; V299-I309 HydrophobicContact CG1-CG1 3.9Å; V299-I309 HydrophobicContact CG1-CG2 4.09Å; V299-V311 HydrophobicContact CG2-CG2 4.49Å
300	L	98.6	Very high	97	Very high	30 Å²	30	38.7 Å²	38.7	16%	0.157	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.2	-173.9	-84.2	63.3	0	0	0	111.6	L249 S250 N252 E297 I309 K310 I312	L249-L300 HydrophobicContact CB-CB 4.01Å; L249-L300 HydrophobicContact CB-CD2 3.94Å; L249-L300 HydrophobicContact CD1-CB 3.75Å; L249-L300 HydrophobicContact CD1-CD2 4.3Å; S250-L300 WeakPolarHBondContact O-CD2 3.48Å; N252-L300 HydrophobicContact CB-CD1 3.6Å; N252-L300 HydrophobicContact CB-CG 4.03Å; E297-L300 WeakPolarHBondContact O-CD1 3.15Å; L300-I309 CarbonylContact O-C 3.4Å; L300-I309 WeakPolarHBondContact O-CA 3.5Å; L300-I309 WeakPolarHBondContact O-CB 3.42Å; L300-K310 PolarHBondContact N-O 3.11Å; L300-K310 PolarHBondContact O-N 3.28Å; L300-I312 HydrophobicContact CB-CG2 4.39Å; L300-I312 HydrophobicContact CD1-CD1 3.44Å; L300-I312 VanDerWaalsContact CD1-CD1 3.44Å; L300-I312 HydrophobicContact CD1-CG1 3.74Å; L300-I312 HydrophobicContact CD1-CG2 4Å; L300-I312 HydrophobicContact CD2-CD1 4.16Å; L300-I312 HydrophobicContact CD2-CG2 4.32Å; L300-I312 HydrophobicContact CG-CD1 4.46Å; L300-I312 HydrophobicContact CG-CG2 4.47Å
301	L	98.4	Very high	97	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	132.2	167.8	-67.2	-176.6	0	0	0	109.8	S250 I251 L253 L256 F273 Q303 I309	S250-L301 WeakPolarHBondContact CA-O 3.41Å; S250-L301 VanDerWaalsContact CB-O 3.27Å; S250-L301 WeakPolarHBondContact CB-O 3.25Å; S250-L301 PolarHBondContact N-O 3.2Å; I251-L301 HydrophobicContact CG1-CD1 4.03Å; I251-L301 PolarHBondContact O-N 3.34Å; L253-L301 HydrophobicContact CD2-CD2 4.1Å; L256-L301 HydrophobicContact CD1-CD1 4.11Å; L256-L301 HydrophobicContact CD2-CD1 4.21Å; L256-L301 HydrophobicContact CD2-CD2 4.31Å; F273-L301 HydrophobicContact CE1-CD2 3.85Å; F273-L301 HydrophobicContact CZ-CD2 4.11Å; L301-Q303 VanDerWaalsContact C-N 3.27Å; L301-Q303 PolarHBondContact O-N 3.41Å; L301-I309 HydrophobicContact CD2-CG2 3.84Å
302	K	96.5	Very high	97	Very high	72 Å²	72	40.4 Å²	40.4	31%	0.313	22%	0.215	S	C	.	.	S	Bend	trans	-58.9	-41.7	172.9	-65.9	-173.6	-168.3	-174.2	0	111.1	N228 G308 I309 K310	N228-K302 VanDerWaalsContact OD1-CE 3.29Å; N228-K302 WeakPolarHBondContact OD1-CE 3.46Å; N228-K302 PolarHBondContact OD1-NZ 2.9Å; K302-G308 PolarHBondContact N-O 3.49Å; K302-I309 WeakPolarHBondContact CE-O 3.31Å; K302-K310 HydrophobicContact CD-CG 4.34Å; K302-K310 HydrophobicContact CG-CG 4.05Å
303	Q	95.3	Very high	96.9	Very high	127 Å²	127	41.6 Å²	41.6	59%	0.593	22%	0.221	S	C	*	.	S	Bend	trans	-146.8	150.2	-177.9	-67.9	178.4	-21.6	0	0	110.7	L301 R306	L301-Q303 VanDerWaalsContact C-N 3.27Å; L301-Q303 PolarHBondContact O-N 3.41Å; Q303-R306 HydrophobicContact CB-CB 4.37Å; Q303-R306 HydrophobicContact CB-CG 4.23Å; Q303-R306 PolarHBondContact O-N 2.75Å
304	Q	91.8	Very high	96.9	Very high	145 Å²	145	41.7 Å²	41.7	68%	0.678	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	137.4	175.7	-177.7	168.8	-17.9	0	0	111	R306	Q304-R306 PolarHBondContact O-N 2.87Å
305	G	90.5	Very high	96.6	Very high	78 Å²	78	41.9 Å²	41.9	80%	0.804	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	-0.2	-180	0	0	0	0	0	115.4
306	R	95.1	Very high	96.3	Very high	178 Å²	178	42 Å²	42	67%	0.672	23%	0.227	S	C	*	.			trans	-109.8	159.8	172.9	-58.2	-62.7	-173.5	159.5	0.9	110.1	Q303 Q304	Q303-R306 HydrophobicContact CB-CB 4.37Å; Q303-R306 HydrophobicContact CB-CG 4.23Å; Q303-R306 PolarHBondContact O-N 2.75Å; Q304-R306 PolarHBondContact O-N 2.87Å
307	S	94.6	Very high	96.2	Very high	43 Å²	43	42.5 Å²	42.5	30%	0.301	23%	0.23	S	C	.	.			trans	-102.3	-0.8	-178.3	41	0	0	0	0	114.6	F273 I309	F273-S307 WeakPolarHBondContact CE1-O 3.03Å; S307-I309 PolarHBondContact O-N 3.14Å
308	G	97.3	Very high	96	Very high	26 Å²	26	40 Å²	40	27%	0.268	22%	0.22	S	C	.	.			trans	-67.1	132.3	171.7	0	0	0	0	0	110.4	K302	K302-G308 PolarHBondContact N-O 3.49Å
309	I	98.4	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	167.8	179.5	56.2	73.4	0	0	0	112.4	N228 L253 F273 M277 V299 L300 L301 K302 S307	N228-I309 HydrophobicContact CB-CD1 4.1Å; N228-I309 WeakPolarHBondContact CB-O 3.31Å; N228-I309 PolarHBondContact OD1-O 3.18Å; L253-I309 HydrophobicContact CD2-CG2 4.21Å; F273-I309 HydrophobicContact CD1-CG2 3.73Å; F273-I309 HydrophobicContact CE1-CG2 3.72Å; M277-I309 HydrophobicContact CG-CD1 4.13Å; V299-I309 HydrophobicContact CG1-CB 3.79Å; V299-I309 HydrophobicContact CG1-CD1 4.01Å; V299-I309 HydrophobicContact CG1-CG1 3.9Å; V299-I309 HydrophobicContact CG1-CG2 4.09Å; L300-I309 CarbonylContact O-C 3.4Å; L300-I309 WeakPolarHBondContact O-CA 3.5Å; L300-I309 WeakPolarHBondContact O-CB 3.42Å; L301-I309 HydrophobicContact CD2-CG2 3.84Å; K302-I309 WeakPolarHBondContact CE-O 3.31Å; S307-I309 PolarHBondContact O-N 3.14Å
310	K	98.6	Very high	95.5	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.3	157.1	-68.9	-173.2	158.6	-154.2	0	110.5	N228 I229 H231 E247 L249 L300 K302	N228-K310 CarbonylContact O-C 3.25Å; N228-K310 WeakPolarHBondContact O-CA 3.5Å; I229-K310 VanDerWaalsContact O-CD 3.26Å; I229-K310 WeakPolarHBondContact O-CD 3.4Å; I229-K310 VanDerWaalsContact O-CE 3.27Å; I229-K310 WeakPolarHBondContact O-CE 3.36Å; I229-K310 PolarHBondContact O-NZ 3.25Å; H231-K310 PolarHBondContact CD2-NZ 3.37Å; H231-K310 PolarHBondContact CE1-NZ 3.3Å; H231-K310 VanDerWaalsContact CG-NZ 3.27Å; H231-K310 PolarHBondContact ND1-NZ 2.94Å; H231-K310 VanDerWaalsContact ND1-NZ 3.11Å; H231-K310 PolarHBondContact NE2-NZ 3.01Å; E247-K310 VanDerWaalsContact CD-NZ 3.29Å; E247-K310 VanDerWaalsContact OE1-CD 3.28Å; E247-K310 WeakPolarHBondContact OE1-CD 3.45Å; E247-K310 WeakPolarHBondContact OE1-CE 3.46Å; E247-K310 IonicContact OE1-NZ 2.85Å; E247-K310 PolarHBondContact OE1-NZ 3.12Å; E247-K310 WeakPolarHBondContact OE2-CE 3.49Å; E247-K310 IonicContact OE2-NZ 3.27Å; E247-K310 PolarHBondContact OE2-NZ 3.01Å; E247-K310 VanDerWaalsContact OE2-NZ 3.13Å; L249-K310 HydrophobicContact CD1-CB 3.82Å; L249-K310 HydrophobicContact CD1-CD 4.36Å; L249-K310 HydrophobicContact CD1-CG 4.46Å; L249-K310 HydrophobicContact CD2-CD 4.23Å; L300-K310 PolarHBondContact N-O 3.11Å; L300-K310 PolarHBondContact O-N 3.28Å; K302-K310 HydrophobicContact CD-CG 4.34Å; K302-K310 HydrophobicContact CG-CG 4.05Å
311	V	98.6	Very high	95.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139.2	169.5	-176.5	0	0	0	0	109	N228 I230 C280 H291 L294 V299 F314	N228-V311 PolarHBondContact O-N 3.05Å; I230-V311 PolarHBondContact N-O 3.41Å; C280-V311 HydrophobicContact CB-CB 4.49Å; C280-V311 HydrophobicContact CB-CG2 3.84Å; H291-V311 WeakPolarHBondContact NE2-CG1 3.33Å; L294-V311 HydrophobicContact CD1-CG1 3.79Å; L294-V311 HydrophobicContact CD1-CG2 4.39Å; V299-V311 HydrophobicContact CG2-CG2 4.49Å; V311-F314 HydrophobicContact CG1-CE2 4.42Å; V311-F314 HydrophobicContact CG1-CZ 4.46Å
312	I	98	Very high	94.8	Very high	36 Å²	36	49.1 Å²	49.1	19%	0.185	27%	0.265	C	S	.	.			trans	-128.8	172.1	-176.1	75.7	156	0	0	0	112	I230 L249 H291 N298 L300	I230-I312 HydrophobicContact CB-CG2 4.1Å; I230-I312 HydrophobicContact CD1-CG2 4.14Å; I230-I312 HydrophobicContact CG1-CG2 4.35Å; L249-I312 HydrophobicContact CD1-CG2 4.12Å; H291-I312 PolarHBondContact NE2-O 3.06Å; H291-I312 VanDerWaalsContact NE2-O 3.14Å; N298-I312 HydrophobicContact CB-CG1 4.16Å; N298-I312 PolarHBondContact O-N 3.44Å; L300-I312 HydrophobicContact CB-CG2 4.39Å; L300-I312 HydrophobicContact CD1-CD1 3.44Å; L300-I312 VanDerWaalsContact CD1-CD1 3.44Å; L300-I312 HydrophobicContact CD1-CG1 3.74Å; L300-I312 HydrophobicContact CD1-CG2 4Å; L300-I312 HydrophobicContact CD2-CD1 4.16Å; L300-I312 HydrophobicContact CD2-CG2 4.32Å; L300-I312 HydrophobicContact CG-CD1 4.46Å; L300-I312 HydrophobicContact CG-CG2 4.47Å
313	D	95.1	Very high	94.4	Very high	26 Å²	26	49 Å²	49	14%	0.139	26%	0.263	C	S	.	.			trans	65.2	67.8	170.1	-164.8	34.5	0	0	0	114.7	K196 G315	K196-D313 IonicContact NZ-OD1 3.64Å; K196-D313 PolarHBondContact NZ-OD1 3.46Å; D313-G315 PolarHBondContact O-N 3.33Å
314	F	96.4	Very high	93.8	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.013	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-80.6	9.1	176.9	-74	-102.7	0	0	0	112.8	E211 I214 L215 L218 I229 I230 L284 H291 V311 S316 S317	E211-F314 HydrophobicContact CG-CB 4.07Å; E211-F314 PolarHBondContact OE1-N 3.17Å; I214-F314 HydrophobicContact CG2-CD1 3.89Å; L215-F314 HydrophobicContact CD2-CB 4.36Å; L215-F314 HydrophobicContact CD2-CD2 3.71Å; L215-F314 HydrophobicContact CD2-CE2 4.22Å; L215-F314 HydrophobicContact CD2-CG 4.04Å; L215-F314 HydrophobicContact CG-CB 4.37Å; L218-F314 HydrophobicContact CD1-CD1 4.22Å; L218-F314 HydrophobicContact CD1-CE1 3.77Å; L218-F314 HydrophobicContact CD1-CZ 4.28Å; I229-F314 HydrophobicContact CG1-CZ 4.31Å; I229-F314 HydrophobicContact CG2-CE2 3.93Å; I229-F314 HydrophobicContact CG2-CZ 3.96Å; I230-F314 HydrophobicContact CG2-CD2 4.34Å; I230-F314 HydrophobicContact CG2-CE2 4.36Å; L284-F314 HydrophobicContact CD1-CE1 4.05Å; L284-F314 HydrophobicContact CD2-CE1 3.83Å; L284-F314 HydrophobicContact CD2-CZ 4.4Å; H291-F314 AromaticContact CD2-CE1 3.76Å; H291-F314 AromaticContact CD2-CZ 3.85Å; V311-F314 HydrophobicContact CG1-CE2 4.42Å; V311-F314 HydrophobicContact CG1-CZ 4.46Å; F314-S316 PolarHBondContact O-N 3.17Å; F314-S316 VanDerWaalsContact O-N 3.14Å; F314-S317 WeakPolarHBondContact CA-OG 3.3Å; F314-S317 WeakPolarHBondContact CD1-OG 3.4Å; F314-S317 VanDerWaalsContact O-CB 3.25Å; F314-S317 WeakPolarHBondContact O-CB 3.35Å; F314-S317 PolarHBondContact O-N 3.04Å; F314-S317 PolarHBondContact O-OG 3.19Å
315	G	92.4	Very high	93.5	Very high	4 Å²	4	46.2 Å²	46.2	4%	0.041	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-66.9	-10.3	-179.1	0	0	0	0	0	115.8	E211 D313	E211-G315 PolarHBondContact OE1-N 3.03Å; D313-G315 PolarHBondContact O-N 3.33Å
316	S	93.1	Very high	93.5	Very high	25 Å²	25	48.4 Å²	48.4	18%	0.175	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-106.3	-4.3	169.8	-61.8	0	0	0	0	113.5	C292 F314	C292-S316 WeakPolarHBondContact CB-O 3.34Å; F314-S316 PolarHBondContact O-N 3.17Å; F314-S316 VanDerWaalsContact O-N 3.14Å
317	S	95.8	Very high	93.4	Very high	10 Å²	10	42.7 Å²	42.7	7%	0.07	23%	0.227	C	C	.	.			trans	-72.5	155.1	-173.3	-56.3	0	0	0	0	112.3	I290 H291 F314	I290-S317 WeakPolarHBondContact O-CA 3.38Å; I290-S317 VanDerWaalsContact O-CB 3.23Å; I290-S317 WeakPolarHBondContact O-CB 3.42Å; H291-S317 WeakPolarHBondContact CA-OG 3.49Å; H291-S317 PolarHBondContact O-OG 3.22Å; H291-S317 VanDerWaalsContact O-OG 3.06Å; F314-S317 WeakPolarHBondContact CA-OG 3.3Å; F314-S317 WeakPolarHBondContact CD1-OG 3.4Å; F314-S317 VanDerWaalsContact O-CB 3.25Å; F314-S317 WeakPolarHBondContact O-CB 3.35Å; F314-S317 PolarHBondContact O-N 3.04Å; F314-S317 PolarHBondContact O-OG 3.19Å
318	C	94.6	Very high	93.4	Very high	15 Å²	15	41.3 Å²	41.3	10%	0.101	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	157.4	174.8	62.2	0	0	0	0	111.1	I290	I290-C318 PolarHBondContact N-O 2.93Å; I290-C318 PolarHBondContact O-N 3.17Å; I290-C318 VanDerWaalsContact O-N 3.09Å
319	F	94.9	Very high	93.4	Very high	30 Å²	30	40.3 Å²	40.3	13%	0.132	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	148.8	164.6	-64.9	-89.4	0	0	0	110.5	I214 R288 L289 D321 Q322	I214-F319 HydrophobicContact CG1-CE2 4.01Å; I214-F319 HydrophobicContact CG1-CZ 4.49Å; R288-F319 CarbonylContact O-C 3.45Å; R288-F319 WeakPolarHBondContact O-CA 3.45Å; L289-F319 HydrophobicContact CD1-CE1 4.24Å; L289-F319 HydrophobicContact CD2-CD1 3.6Å; L289-F319 HydrophobicContact CD2-CD2 3.95Å; L289-F319 HydrophobicContact CD2-CE1 3.6Å; L289-F319 HydrophobicContact CD2-CE2 3.93Å; L289-F319 HydrophobicContact CD2-CG 3.79Å; L289-F319 HydrophobicContact CD2-CZ 3.77Å; L289-F319 HydrophobicContact CG-CD1 3.9Å; L289-F319 HydrophobicContact CG-CE1 3.78Å; L289-F319 HydrophobicContact CG-CZ 4.32Å; F319-D321 WeakPolarHBondContact CB-OD1 3.27Å; F319-D321 PolarHBondContact O-N 2.83Å; F319-Q322 HydrophobicContact CB-CB 4.3Å; F319-Q322 CarbonylContact O-C 3.58Å; F319-Q322 PolarHBondContact O-N 3.13Å
320	D	91.1	Very high	93.4	Very high	23 Å²	23	41.3 Å²	41.3	12%	0.123	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28	-178.3	169.5	53.2	0	0	0	113.2	R288 I290 R323	R288-D320 HydrophobicContact CB-CB 4.24Å; R288-D320 IonicContact CZ-OD2 3.38Å; R288-D320 IonicContact NE-OD2 3.16Å; R288-D320 IonicContact NH2-OD2 2.8Å; R288-D320 PolarHBondContact NH2-OD2 2.89Å; R288-D320 WeakPolarHBondContact O-CB 3.41Å; R288-D320 PolarHBondContact O-N 2.85Å; I290-D320 HydrophobicContact CD1-CB 4.45Å; D320-R323 PolarHBondContact O-NH1 2.64Å; D320-R323 PolarHBondContact O-NH2 3.43Å; D320-R323 IonicContact OD1-CZ 3.35Å; D320-R323 IonicContact OD1-NH1 2.69Å; D320-R323 PolarHBondContact OD1-NH1 3.04Å
321	D	90.9	Very high	93.4	Very high	105 Å²	105	44.3 Å²	44.3	56%	0.561	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-21.1	173.7	63.2	-25.8	0	0	0	113.6	F319	F319-D321 WeakPolarHBondContact CB-OD1 3.27Å; F319-D321 PolarHBondContact O-N 2.83Å
322	Q	90.9	Very high	93.4	Very high	80 Å²	80	47.4 Å²	47.4	37%	0.374	24%	0.236	S	C	.	.			trans	-109.6	36.6	-169.5	-69.3	157	54.5	0	0	113.2	F319 I324	F319-Q322 HydrophobicContact CB-CB 4.3Å; F319-Q322 CarbonylContact O-C 3.58Å; F319-Q322 PolarHBondContact O-N 3.13Å; Q322-I324 PolarHBondContact O-N 2.96Å
323	R	88	Confident	93.4	Very high	70 Å²	70	46 Å²	46	26%	0.264	23%	0.228	S	C	.	.			trans	-68.3	116.8	176.9	-68.7	177.2	-69	-97.8	-33.6	112.2	I290 D320 K343 Y344	I290-R323 HydrophobicContact CD1-CG 4.39Å; D320-R323 PolarHBondContact O-NH1 2.64Å; D320-R323 PolarHBondContact O-NH2 3.43Å; D320-R323 IonicContact OD1-CZ 3.35Å; D320-R323 IonicContact OD1-NH1 2.69Å; D320-R323 PolarHBondContact OD1-NH1 3.04Å; R323-K343 VanDerWaalsContact NH2-CE 3.33Å; R323-Y344 HydrophobicContact CB-CE1 4.45Å; R323-Y344 WeakPolarHBondContact CB-OH 3.26Å; R323-Y344 VanDerWaalsContact CD-O 3.26Å; R323-Y344 WeakPolarHBondContact CD-O 3.17Å; R323-Y344 HydrophobicContact CG-CE1 4.36Å; R323-Y344 HydrophobicContact CG-CE2 3.72Å; R323-Y344 WeakPolarHBondContact CG-OH 3Å; R323-Y344 PolarHBondContact NH1-O 2.8Å
324	I	83.1	Confident	93.6	Very high	137 Å²	137	45.1 Å²	45.1	70%	0.703	22%	0.223	S	C	*	.			trans	-101.2	-36.3	179.9	-60.8	173.1	0	0	0	113.1	Q322	Q322-I324 PolarHBondContact O-N 2.96Å
325	Y	87.1	Confident	93.7	Very high	76 Å²	76	45 Å²	45	30%	0.298	22%	0.222	S	C	.	.			trans	-112.1	133.9	-166	-59.3	-66.5	0	0	0	112.8	Y344	Y325-Y344 WeakPolarHBondContact O-CE1 3.45Å; Y325-Y344 PolarHBondContact O-OH 3.27Å
326	T	89.4	Confident	94	Very high	123 Å²	123	44.8 Å²	44.8	76%	0.755	22%	0.221	S	C	*	.	S	Bend	trans	-86.4	-24.7	174.8	52	0	0	0	0	113.6
327	Y	92.2	Very high	94.2	Very high	59 Å²	59	43.8 Å²	43.8	23%	0.231	21%	0.213	C	C	.	.	S	Bend	trans	-107.6	90.1	178.1	-170.3	-90.2	0	0	0	110.9	M1 R334	M1-Y327 HydrophobicContact CB-CD1 3.99Å; M1-Y327 HydrophobicContact CE-CD1 4.14Å; M1-Y327 HydrophobicContact CE-CE1 4.25Å; M1-Y327 HydrophobicContact CG-CD1 3.61Å; M1-Y327 HydrophobicContact CG-CE1 3.87Å; M1-Y327 HydrophobicContact SD-CD1 4.16Å; Y327-R334 PolarHBondContact OH-NH1 3.38Å; Y327-R334 PolarHBondContact OH-NH2 2.99Å; Y327-R334 VanDerWaalsContact OH-NH2 3.17Å
328	I	95.4	Very high	94.4	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.067	21%	0.212	C	C	.	.			trans	-123.3	177.5	-177.5	60.2	167.2	0	0	0	111.5	C292 R334 V338 Y344 I348	C292-I328 HydrophobicContact CB-CB 4.5Å; C292-I328 HydrophobicContact CB-CD1 4.21Å; I328-R334 PolarHBondContact O-NE 2.92Å; I328-R334 PolarHBondContact O-NH2 2.81Å; I328-V338 HydrophobicContact CD1-CG2 4.22Å; I328-V338 HydrophobicContact CG1-CG1 3.74Å; I328-V338 HydrophobicContact CG1-CG2 4.06Å; I328-Y344 HydrophobicContact CD1-CD1 4.28Å; I328-Y344 HydrophobicContact CD1-CD2 3.75Å; I328-Y344 HydrophobicContact CD1-CE1 3.96Å; I328-Y344 HydrophobicContact CD1-CE2 3.39Å; I328-Y344 HydrophobicContact CD1-CG 4.18Å; I328-I348 HydrophobicContact CD1-CD1 3.4Å; I328-I348 VanDerWaalsContact CD1-CD1 3.4Å; I328-I348 HydrophobicContact CG1-CD1 4.5Å
329	Q	97.9	Very high	94.5	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.028	21%	0.208	C	C	.	.	S	Bend	trans	60.3	147.5	-174.2	-55.6	172.6	-76.5	0	0	115	C292 Y333 R334 I348 S352	C292-Q329 WeakPolarHBondContact O-CA 3.26Å; C292-Q329 WeakPolarHBondContact O-CG 3.25Å; C292-Q329 PolarHBondContact O-N 2.88Å; Q329-Y333 PolarHBondContact NE2-O 3.32Å; Q329-R334 HydrophobicContact CB-CB 4.01Å; Q329-R334 HydrophobicContact CB-CG 4.18Å; Q329-R334 PolarHBondContact O-NH2 3.36Å; Q329-I348 HydrophobicContact CG-CD1 4.15Å; Q329-I348 PolarHBondContact NE2-O 3.4Å; Q329-I348 VanDerWaalsContact NE2-O 3.08Å; Q329-S352 PolarHBondContact NE2-OG 3.32Å
330	S	97.4	Very high	94.7	Very high	21 Å²	21	41.9 Å²	41.9	15%	0.147	20%	0.202	C	C	.	.			trans	-71.8	134.4	166.8	-65.1	0	0	0	0	109.9	D293 K295 F332 Y333 R334	D293-S330 VanDerWaalsContact OD1-CB 3.27Å; D293-S330 WeakPolarHBondContact OD1-CB 3.47Å; D293-S330 PolarHBondContact OD1-N 2.91Å; D293-S330 PolarHBondContact OD1-OG 3.3Å; D293-S330 PolarHBondContact OD2-OG 2.85Å; K295-S330 WeakPolarHBondContact CD-OG 3.41Å; K295-S330 PolarHBondContact NZ-OG 3.16Å; S330-F332 PolarHBondContact O-N 2.92Å; S330-F332 VanDerWaalsContact O-N 3.14Å; S330-Y333 PolarHBondContact O-N 3.2Å; S330-R334 PolarHBondContact O-N 3.42Å
331	R	98.4	Very high	94.9	Very high	68 Å²	68	41.7 Å²	41.7	26%	0.257	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-51.3	-46.1	-157.5	-169.6	-168.4	-65.5	109.7	-3	115.3	Y333 R334 G369 E370 Q375	R331-Y333 PolarHBondContact O-N 2.97Å; R331-R334 VanDerWaalsContact O-CB 3.3Å; R331-R334 WeakPolarHBondContact O-CB 3.47Å; R331-R334 PolarHBondContact O-N 3.26Å; R331-R334 VanDerWaalsContact O-N 3.13Å; R331-G369 WeakPolarHBondContact CD-O 3.41Å; R331-E370 PolarHBondContact NE-O 3.35Å; R331-E370 PolarHBondContact NH1-O 3.43Å; R331-E370 PolarHBondContact NH2-O 3.14Å; R331-Q375 HydrophobicContact CG-CB 4.2Å; R331-Q375 HydrophobicContact CG-CG 4.17Å; R331-Q375 PolarHBondContact O-NE2 3.5Å; R331-Q375 PolarHBondContact O-OE1 2.85Å
332	F	98.8	Very high	95.1	Very high	65 Å²	65	38 Å²	38	29%	0.285	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-65	-21.3	-176.1	-54.6	-25.4	0	0	0	113.7	S330 P365 P368 G369	S330-F332 PolarHBondContact O-N 2.92Å; S330-F332 VanDerWaalsContact O-N 3.14Å; F332-P365 HydrophobicContact CB-CB 4.39Å; F332-P365 HydrophobicContact CD2-CB 3.94Å; F332-P365 HydrophobicContact CD2-CG 3.89Å; F332-P365 HydrophobicContact CE2-CG 4.13Å; F332-P365 HydrophobicContact CG-CB 4.3Å; F332-P368 HydrophobicContact CE1-CB 4.37Å; F332-G369 WeakPolarHBondContact CE1-O 3.45Å
333	Y	98.9	Very high	95.2	Very high	8 Å²	8	41.8 Å²	41.8	3%	0.031	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-108.9	6.2	-178.6	-39.1	-77.7	0	0	0	111.7	K295 P296 Q329 S330 R331 S352 C355 I356 E359	K295-Y333 HydrophobicContact CB-CD2 3.54Å; K295-Y333 HydrophobicContact CB-CE2 3.53Å; K295-Y333 HydrophobicContact CB-CG 4.21Å; P296-Y333 WeakPolarHBondContact CD-OH 3.18Å; P296-Y333 HydrophobicContact CG-CE1 4.05Å; Q329-Y333 PolarHBondContact NE2-O 3.32Å; S330-Y333 PolarHBondContact O-N 3.2Å; R331-Y333 PolarHBondContact O-N 2.97Å; Y333-S352 PolarHBondContact O-OG 2.84Å; Y333-C355 HydrophobicContact CD1-CB 3.77Å; Y333-I356 HydrophobicContact CD1-CG1 3.96Å; Y333-I356 HydrophobicContact CE1-CG1 4.17Å; Y333-E359 WeakPolarHBondContact CE1-OE2 3.38Å; Y333-E359 PolarHBondContact OH-OE2 3.28Å
334	R	98.8	Very high	95.6	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.023	19%	0.194	C	C	.	.			trans	-75.8	132.5	-176.4	-175.9	178.7	-65.7	145.8	4.4	111.5	Y327 I328 Q329 S330 R331 V338 I339 W351	Y327-R334 PolarHBondContact OH-NH1 3.38Å; Y327-R334 PolarHBondContact OH-NH2 2.99Å; Y327-R334 VanDerWaalsContact OH-NH2 3.17Å; I328-R334 PolarHBondContact O-NE 2.92Å; I328-R334 PolarHBondContact O-NH2 2.81Å; Q329-R334 HydrophobicContact CB-CB 4.01Å; Q329-R334 HydrophobicContact CB-CG 4.18Å; Q329-R334 PolarHBondContact O-NH2 3.36Å; S330-R334 PolarHBondContact O-N 3.42Å; R331-R334 VanDerWaalsContact O-CB 3.3Å; R331-R334 WeakPolarHBondContact O-CB 3.47Å; R331-R334 PolarHBondContact O-N 3.26Å; R331-R334 VanDerWaalsContact O-N 3.13Å; R334-V338 HydrophobicContact CG-CB 3.92Å; R334-V338 HydrophobicContact CG-CG1 3.97Å; R334-I339 HydrophobicContact CG-CD1 4.47Å; R334-I339 HydrophobicContact CG-CG1 4Å; R334-W351 PolarHBondContact O-NE1 3.08Å
335	A	98.8	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.			trans	-76.2	150	-179.4	0	0	0	0	0	112.3	E337 V338 I339 I348 W351	A335-E337 VanDerWaalsContact C-N 3.31Å; A335-E337 HydrophobicContact CB-CG 4.11Å; A335-E337 WeakPolarHBondContact CB-OE2 3.44Å; A335-E337 PolarHBondContact O-N 3.04Å; A335-V338 PolarHBondContact O-N 3.41Å; A335-V338 VanDerWaalsContact O-N 3.14Å; A335-I339 PolarHBondContact O-N 3.16Å; A335-I348 HydrophobicContact CB-CB 3.84Å; A335-I348 HydrophobicContact CB-CG2 3.76Å; A335-W351 HydrophobicContact CB-CB 3.87Å; A335-W351 HydrophobicContact CB-CD2 4.28Å; A335-W351 HydrophobicContact CB-CG 3.75Å
336	P	98.4	Very high	96.8	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-35.2	-175.5	23.4	-33.2	0	0	0	112.8	V338 I339 L340 W351 W463	P336-V338 VanDerWaalsContact C-N 3.26Å; P336-V338 PolarHBondContact O-N 3.04Å; P336-I339 PolarHBondContact O-N 2.98Å; P336-I339 VanDerWaalsContact O-N 3.11Å; P336-L340 HydrophobicContact CB-CD1 4.47Å; P336-L340 VanDerWaalsContact O-CB 3.31Å; P336-L340 WeakPolarHBondContact O-CB 3.28Å; P336-L340 WeakPolarHBondContact O-CG 3.02Å; P336-L340 PolarHBondContact O-N 3.38Å; P336-W351 VanDerWaalsContact CD-CE3 3.45Å; P336-W351 HydrophobicContact CG-CE3 4.1Å; P336-W351 HydrophobicContact CG-CH2 3.99Å; P336-W351 HydrophobicContact CG-CZ3 3.75Å; P336-W463 HydrophobicContact CB-CE3 3.6Å; P336-W463 HydrophobicContact CB-CZ3 3.42Å; P336-W463 VanDerWaalsContact CB-CZ3 3.42Å; P336-W463 HydrophobicContact CG-CE3 3.81Å; P336-W463 HydrophobicContact CG-CZ3 4.14Å
337	E	98.1	Very high	97.3	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.019	14%	0.135	C	C	.	.	H	α-helix	trans	-55.4	-38.2	175	52.8	-95.7	-136.6	0	0	113.3	A335 G341 T342 I348 R468	A335-E337 VanDerWaalsContact C-N 3.31Å; A335-E337 HydrophobicContact CB-CG 4.11Å; A335-E337 WeakPolarHBondContact CB-OE2 3.44Å; A335-E337 PolarHBondContact O-N 3.04Å; E337-G341 WeakPolarHBondContact O-CA 3.49Å; E337-G341 PolarHBondContact O-N 2.9Å; E337-T342 VanDerWaalsContact CA-OG1 3.25Å; E337-T342 WeakPolarHBondContact CA-OG1 3.17Å; E337-T342 WeakPolarHBondContact CB-OG1 3.27Å; E337-T342 PolarHBondContact O-N 3.45Å; E337-T342 PolarHBondContact O-OG1 3.26Å; E337-I348 HydrophobicContact CG-CG2 3.83Å; E337-I348 WeakPolarHBondContact OE1-CG2 3.32Å; E337-R468 IonicContact OE1-CZ 2.66Å; E337-R468 IonicContact OE1-NH1 2.72Å; E337-R468 PolarHBondContact OE1-NH1 3.24Å; E337-R468 IonicContact OE1-NH2 3.38Å; E337-R468 PolarHBondContact OE1-NH2 3.18Å; E337-R468 IonicContact OE2-CZ 3.77Å; E337-R468 IonicContact OE2-NH1 2.87Å; E337-R468 PolarHBondContact OE2-NH1 3.09Å; E337-R468 IonicContact OE2-NH2 3.16Å; E337-R468 PolarHBondContact OE2-NH2 3.42Å
338	V	98.2	Very high	97.6	Very high	8 Å²	8	24.7 Å²	24.7	5%	0.048	12%	0.124	C	C	.	.	H	α-helix	trans	-71.4	-37	179.1	-179.9	0	0	0	0	110.6	I328 R334 A335 P336 Y344 I348	I328-V338 HydrophobicContact CD1-CG2 4.22Å; I328-V338 HydrophobicContact CG1-CG1 3.74Å; I328-V338 HydrophobicContact CG1-CG2 4.06Å; R334-V338 HydrophobicContact CG-CB 3.92Å; R334-V338 HydrophobicContact CG-CG1 3.97Å; A335-V338 PolarHBondContact O-N 3.41Å; A335-V338 VanDerWaalsContact O-N 3.14Å; P336-V338 VanDerWaalsContact C-N 3.26Å; P336-V338 PolarHBondContact O-N 3.04Å; V338-Y344 HydrophobicContact CG2-CG 4.28Å; V338-I348 HydrophobicContact CG2-CG2 3.97Å
339	I	98.4	Very high	97.8	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-70.2	-48.9	176.9	-58.5	171.7	0	0	0	110.3	R334 A335 P336 G341 E372 Q375 L376 I379 R396 F400	R334-I339 HydrophobicContact CG-CD1 4.47Å; R334-I339 HydrophobicContact CG-CG1 4Å; A335-I339 PolarHBondContact O-N 3.16Å; P336-I339 PolarHBondContact O-N 2.98Å; P336-I339 VanDerWaalsContact O-N 3.11Å; I339-G341 VanDerWaalsContact C-N 3.26Å; I339-G341 PolarHBondContact O-N 2.96Å; I339-E372 HydrophobicContact CG2-CB 4.36Å; I339-Q375 HydrophobicContact CD1-CB 4.17Å; I339-Q375 HydrophobicContact CD1-CG 3.76Å; I339-L376 HydrophobicContact CG2-CB 4.25Å; I339-L376 HydrophobicContact CG2-CD2 4.3Å; I339-I379 HydrophobicContact CD1-CD1 4.12Å; I339-R396 PolarHBondContact O-NH1 2.82Å; I339-F400 HydrophobicContact CG2-CE1 4.03Å; I339-F400 HydrophobicContact CG2-CE2 3.87Å; I339-F400 HydrophobicContact CG2-CZ 3.53Å; I339-F400 WeakPolarHBondContact O-CE2 3.49Å
340	L	97.8	Very high	97.8	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-72.2	-14.7	-178.7	-69	173.7	0	0	0	113.7	P336 L376 L391 A394 K395 R396 F400 W463	P336-L340 HydrophobicContact CB-CD1 4.47Å; P336-L340 VanDerWaalsContact O-CB 3.31Å; P336-L340 WeakPolarHBondContact O-CB 3.28Å; P336-L340 WeakPolarHBondContact O-CG 3.02Å; P336-L340 PolarHBondContact O-N 3.38Å; L340-L376 HydrophobicContact CD2-CD2 3.83Å; L340-L376 HydrophobicContact CG-CD2 4.49Å; L340-L391 HydrophobicContact CD1-CD2 4.45Å; L340-L391 HydrophobicContact CD2-CD2 4.35Å; L340-A394 HydrophobicContact CB-CB 3.93Å; L340-A394 CarbonylContact O-C 3.49Å; L340-K395 PolarHBondContact O-N 3.41Å; L340-R396 WeakPolarHBondContact O-CA 3.49Å; L340-R396 VanDerWaalsContact O-CB 3.32Å; L340-R396 WeakPolarHBondContact O-CB 3.29Å; L340-R396 PolarHBondContact O-N 3.45Å; L340-F400 HydrophobicContact CD2-CD2 4Å; L340-W463 HydrophobicContact CD1-CZ3 4.36Å
341	G	96.1	Very high	97.9	Very high	20 Å²	20	23.2 Å²	23.2	21%	0.206	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	32.6	178	0	0	0	0	0	113.9	E337 I339 K395	E337-G341 WeakPolarHBondContact O-CA 3.49Å; E337-G341 PolarHBondContact O-N 2.9Å; I339-G341 VanDerWaalsContact C-N 3.26Å; I339-G341 PolarHBondContact O-N 2.96Å; G341-K395 WeakPolarHBondContact O-CG 3.33Å
342	T	94.4	Very high	97.9	Very high	26 Å²	26	20 Å²	20	16%	0.16	10%	0.103	C	C	.	.			trans	-80.1	178.6	166.5	61	0	0	0	0	110	E337 Y344 T393 A394	E337-T342 VanDerWaalsContact CA-OG1 3.25Å; E337-T342 WeakPolarHBondContact CA-OG1 3.17Å; E337-T342 WeakPolarHBondContact CB-OG1 3.27Å; E337-T342 PolarHBondContact O-N 3.45Å; E337-T342 PolarHBondContact O-OG1 3.26Å; T342-Y344 PolarHBondContact O-N 3.04Å; T342-T393 WeakPolarHBondContact CG2-OG1 3.3Å; T342-A394 VanDerWaalsContact CG2-CA 3.47Å; T342-A394 HydrophobicContact CG2-CB 3.63Å
343	K	93.6	Very high	97.9	Very high	161 Å²	161	16.9 Å²	16.9	70%	0.7	9%	0.089	S	C	*	.			trans	-72.9	114	172.9	-177.1	-174.7	176.5	-171.5	0	109.2	R323	R323-K343 VanDerWaalsContact NH2-CE 3.33Å
344	Y	96.4	Very high	97.9	Very high	18 Å²	18	16.5 Å²	16.5	7%	0.071	9%	0.088	C	C	.	.			trans	-87.7	161.9	174.7	75.3	-96.7	0	0	0	112.2	I290 R323 Y325 I328 V338 T342 I348	I290-Y344 HydrophobicContact CD1-CD2 4.2Å; I290-Y344 HydrophobicContact CD1-CE2 3.99Å; R323-Y344 HydrophobicContact CB-CE1 4.45Å; R323-Y344 WeakPolarHBondContact CB-OH 3.26Å; R323-Y344 VanDerWaalsContact CD-O 3.26Å; R323-Y344 WeakPolarHBondContact CD-O 3.17Å; R323-Y344 HydrophobicContact CG-CE1 4.36Å; R323-Y344 HydrophobicContact CG-CE2 3.72Å; R323-Y344 WeakPolarHBondContact CG-OH 3Å; R323-Y344 PolarHBondContact NH1-O 2.8Å; Y325-Y344 WeakPolarHBondContact O-CE1 3.45Å; Y325-Y344 PolarHBondContact O-OH 3.27Å; I328-Y344 HydrophobicContact CD1-CD1 4.28Å; I328-Y344 HydrophobicContact CD1-CD2 3.75Å; I328-Y344 HydrophobicContact CD1-CE1 3.96Å; I328-Y344 HydrophobicContact CD1-CE2 3.39Å; I328-Y344 HydrophobicContact CD1-CG 4.18Å; V338-Y344 HydrophobicContact CG2-CG 4.28Å; T342-Y344 PolarHBondContact O-N 3.04Å; Y344-I348 HydrophobicContact CD2-CD1 3.91Å; Y344-I348 HydrophobicContact CD2-CG2 4.48Å; Y344-I348 HydrophobicContact CE2-CD1 4.33Å
345	G	97.6	Very high	97.9	Very high	10 Å²	10	16.3 Å²	16.3	10%	0.103	9%	0.087	C	C	.	.			trans	-154.9	-160.6	176.6	0	0	0	0	0	111.6	P347 I348	G345-P347 VanDerWaalsContact C-N 3.27Å; G345-P347 VanDerWaalsContact O-N 3.15Å; G345-I348 WeakPolarHBondContact O-CG1 3.35Å; G345-I348 WeakPolarHBondContact O-CG2 3.11Å; G345-I348 PolarHBondContact O-N 3.35Å
346	M	98.3	Very high	97.9	Very high	44 Å²	44	16.3 Å²	16.3	22%	0.217	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-32	175.9	-58.9	169.3	-71.7	0	0	115.5	Q285 I290 I348 D349	Q285-M346 HydrophobicContact CB-SD 4.27Å; Q285-M346 HydrophobicContact CG-CE 4.37Å; Q285-M346 HydrophobicContact CG-SD 3.88Å; I290-M346 HydrophobicContact CG1-CG 3.96Å; M346-I348 PolarHBondContact O-N 3.23Å; M346-D349 PolarHBondContact O-N 2.86Å; M346-D349 VanDerWaalsContact O-N 3.13Å
347	P	98.8	Very high	97.9	Very high	33 Å²	33	16.2 Å²	16.2	21%	0.214	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-15.8	177.7	-29.3	38	0	0	0	116.2	G345 D349 M350 W351 P465 R468	G345-P347 VanDerWaalsContact C-N 3.27Å; G345-P347 VanDerWaalsContact O-N 3.15Å; P347-D349 VanDerWaalsContact C-N 3.27Å; P347-D349 PolarHBondContact O-N 3.47Å; P347-M350 PolarHBondContact O-N 3.1Å; P347-W351 PolarHBondContact O-N 2.75Å; P347-W351 VanDerWaalsContact O-N 3.17Å; P347-P465 HydrophobicContact CB-CB 3.76Å; P347-P465 HydrophobicContact CG-CB 4.07Å; P347-P465 VanDerWaalsContact CG-O 3.24Å; P347-P465 WeakPolarHBondContact CG-O 3.46Å; P347-R468 WeakPolarHBondContact O-CD 3.38Å; P347-R468 PolarHBondContact O-NH1 3.03Å
348	I	98.8	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.4	-29.5	175.8	73.9	179.7	0	0	0	112.6	I290 I328 Q329 A335 E337 V338 Y344 G345 M346 W351 S352	I290-I348 HydrophobicContact CG2-CD1 3.59Å; I290-I348 HydrophobicContact CG2-CG1 3.7Å; I328-I348 HydrophobicContact CD1-CD1 3.4Å; I328-I348 VanDerWaalsContact CD1-CD1 3.4Å; I328-I348 HydrophobicContact CG1-CD1 4.5Å; Q329-I348 HydrophobicContact CG-CD1 4.15Å; Q329-I348 PolarHBondContact NE2-O 3.4Å; Q329-I348 VanDerWaalsContact NE2-O 3.08Å; A335-I348 HydrophobicContact CB-CB 3.84Å; A335-I348 HydrophobicContact CB-CG2 3.76Å; E337-I348 HydrophobicContact CG-CG2 3.83Å; E337-I348 WeakPolarHBondContact OE1-CG2 3.32Å; V338-I348 HydrophobicContact CG2-CG2 3.97Å; Y344-I348 HydrophobicContact CD2-CD1 3.91Å; Y344-I348 HydrophobicContact CD2-CG2 4.48Å; Y344-I348 HydrophobicContact CE2-CD1 4.33Å; G345-I348 WeakPolarHBondContact O-CG1 3.35Å; G345-I348 WeakPolarHBondContact O-CG2 3.11Å; G345-I348 PolarHBondContact O-N 3.35Å; M346-I348 PolarHBondContact O-N 3.23Å; I348-W351 WeakPolarHBondContact O-CB 3.42Å; I348-W351 PolarHBondContact O-N 3.06Å; I348-S352 PolarHBondContact O-N 2.88Å; I348-S352 PolarHBondContact O-OG 2.86Å
349	D	98.9	Very high	98	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.027	9%	0.085	C	C	.	.	H	α-helix	trans	-77.1	-29.4	179.7	-62.2	-38.8	0	0	0	110.7	L281 I290 H291 C292 M346 P347 S352 L353	L281-D349 HydrophobicContact CD2-CB 3.89Å; I290-D349 WeakPolarHBondContact CG2-OD2 3.49Å; H291-D349 PolarHBondContact N-OD2 2.89Å; C292-D349 PolarHBondContact N-OD1 3.22Å; C292-D349 VanDerWaalsContact N-OD1 3.15Å; M346-D349 PolarHBondContact O-N 2.86Å; M346-D349 VanDerWaalsContact O-N 3.13Å; P347-D349 VanDerWaalsContact C-N 3.27Å; P347-D349 PolarHBondContact O-N 3.47Å; D349-S352 WeakPolarHBondContact O-CB 3.42Å; D349-S352 PolarHBondContact O-N 3.48Å; D349-L353 WeakPolarHBondContact O-CB 3.44Å; D349-L353 PolarHBondContact O-N 2.86Å
350	M	98.9	Very high	98	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.02	8%	0.084	C	C	.	.	H	α-helix	trans	-70.6	-35.3	171.5	-74.3	-59.9	-68.4	0	0	112.6	L278 L281 P347 L353 G354 M469 P471 A474	L278-M350 HydrophobicContact CD2-CE 4Å; L278-M350 HydrophobicContact CD2-SD 3.88Å; L281-M350 HydrophobicContact CD1-SD 3.93Å; P347-M350 PolarHBondContact O-N 3.1Å; M350-L353 HydrophobicContact CE-CD2 4.02Å; M350-L353 PolarHBondContact O-N 3.47Å; M350-L353 HydrophobicContact SD-CD2 3.86Å; M350-G354 PolarHBondContact O-N 3.03Å; M350-G354 VanDerWaalsContact O-N 3.08Å; M350-M469 HydrophobicContact CE-CE 4.5Å; M350-M469 HydrophobicContact CE-CG 4.48Å; M350-M469 WeakPolarHBondContact CE-O 3.31Å; M350-M469 WeakPolarHBondContact CG-O 3.38Å; M350-P471 HydrophobicContact CG-CG 4.18Å; M350-P471 HydrophobicContact SD-CB 4.33Å; M350-P471 HydrophobicContact SD-CG 3.75Å; M350-A474 HydrophobicContact CE-CB 3.7Å
351	W	98.9	Very high	98.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.8	-46	167.6	178.1	-79	0	0	0	111.7	R334 A335 P336 P347 I348 L353 G354 C355 L367 I379 L383 C460 L461	R334-W351 PolarHBondContact O-NE1 3.08Å; A335-W351 HydrophobicContact CB-CB 3.87Å; A335-W351 HydrophobicContact CB-CD2 4.28Å; A335-W351 HydrophobicContact CB-CG 3.75Å; P336-W351 VanDerWaalsContact CD-CE3 3.45Å; P336-W351 HydrophobicContact CG-CE3 4.1Å; P336-W351 HydrophobicContact CG-CH2 3.99Å; P336-W351 HydrophobicContact CG-CZ3 3.75Å; P347-W351 PolarHBondContact O-N 2.75Å; P347-W351 VanDerWaalsContact O-N 3.17Å; I348-W351 WeakPolarHBondContact O-CB 3.42Å; I348-W351 PolarHBondContact O-N 3.06Å; W351-L353 VanDerWaalsContact C-N 3.33Å; W351-L353 PolarHBondContact O-N 3.37Å; W351-G354 PolarHBondContact O-N 3.09Å; W351-C355 PolarHBondContact O-N 3.25Å; W351-C355 VanDerWaalsContact O-N 3.11Å; W351-C355 PolarHBondContact O-SG 3.14Å; W351-C355 VanDerWaalsContact O-SG 3.41Å; W351-L367 HydrophobicContact CZ2-CD1 3.95Å; W351-I379 HydrophobicContact CH2-CD1 4.19Å; W351-I379 HydrophobicContact CH2-CG1 4.26Å; W351-I379 HydrophobicContact CH2-CG2 3.76Å; W351-I379 HydrophobicContact CZ2-CD1 3.66Å; W351-I379 HydrophobicContact CZ2-CG1 3.86Å; W351-I379 HydrophobicContact CZ2-CG2 4.23Å; W351-L383 HydrophobicContact CH2-CD1 3.67Å; W351-L383 HydrophobicContact CZ3-CD1 4.06Å; W351-C460 WeakPolarHBondContact CA-O 3.46Å; W351-L461 HydrophobicContact CD2-CD2 3.54Å; W351-L461 HydrophobicContact CE3-CB 4.26Å; W351-L461 HydrophobicContact CE3-CD2 3.76Å; W351-L461 HydrophobicContact CG-CD2 3.98Å; W351-L461 HydrophobicContact CH2-CB 4.41Å; W351-L461 HydrophobicContact CH2-CD2 4.21Å; W351-L461 HydrophobicContact CZ2-CD2 4.01Å; W351-L461 HydrophobicContact CZ3-CB 4.03Å; W351-L461 HydrophobicContact CZ3-CD2 4.1Å; W351-L461 WeakPolarHBondContact CZ3-O 3.3Å
352	S	98.9	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.4	-45.7	177.4	-51.9	0	0	0	0	111.2	Q329 Y333 I348 D349 G354 C355 I356	Q329-S352 PolarHBondContact NE2-OG 3.32Å; Y333-S352 PolarHBondContact O-OG 2.84Å; I348-S352 PolarHBondContact O-N 2.88Å; I348-S352 PolarHBondContact O-OG 2.86Å; D349-S352 WeakPolarHBondContact O-CB 3.42Å; D349-S352 PolarHBondContact O-N 3.48Å; S352-G354 PolarHBondContact O-N 3.46Å; S352-C355 WeakPolarHBondContact O-CB 3.43Å; S352-C355 PolarHBondContact O-N 2.86Å; S352-I356 WeakPolarHBondContact O-CD1 3.47Å; S352-I356 VanDerWaalsContact O-CG1 3.3Å; S352-I356 WeakPolarHBondContact O-CG1 3.44Å; S352-I356 PolarHBondContact O-N 2.9Å
353	L	98.9	Very high	98.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-56	-47.5	174.5	176.7	68.4	0	0	0	111.6	M277 L278 L281 L294 D349 M350 W351 C355 I356 L357	M277-L353 HydrophobicContact CB-CD1 3.98Å; M277-L353 HydrophobicContact CE-CD1 3.53Å; M277-L353 HydrophobicContact SD-CD1 3.95Å; L278-L353 HydrophobicContact CD2-CD2 3.58Å; L278-L353 HydrophobicContact CG-CD2 3.91Å; L281-L353 HydrophobicContact CD1-CB 4.27Å; L281-L353 HydrophobicContact CD1-CD2 4.14Å; L294-L353 HydrophobicContact CD2-CB 4.4Å; D349-L353 WeakPolarHBondContact O-CB 3.44Å; D349-L353 PolarHBondContact O-N 2.86Å; M350-L353 HydrophobicContact CE-CD2 4.02Å; M350-L353 PolarHBondContact O-N 3.47Å; M350-L353 HydrophobicContact SD-CD2 3.86Å; W351-L353 VanDerWaalsContact C-N 3.33Å; W351-L353 PolarHBondContact O-N 3.37Å; L353-C355 VanDerWaalsContact C-N 3.32Å; L353-C355 PolarHBondContact O-N 3.36Å; L353-I356 PolarHBondContact O-N 3.43Å; L353-L357 HydrophobicContact CD1-CD1 4.04Å; L353-L357 HydrophobicContact CD1-CD2 4.32Å; L353-L357 HydrophobicContact CD1-CG 3.99Å; L353-L357 HydrophobicContact CG-CD1 3.97Å; L353-L357 HydrophobicContact CG-CG 4.28Å; L353-L357 VanDerWaalsContact O-CG 3.28Å; L353-L357 WeakPolarHBondContact O-CG 3.35Å; L353-L357 PolarHBondContact O-N 3.39Å
354	G	98.9	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-55.9	-46.1	176.8	0	0	0	0	0	112.5	M350 W351 S352 L357 A358 L457	M350-G354 PolarHBondContact O-N 3.03Å; M350-G354 VanDerWaalsContact O-N 3.08Å; W351-G354 PolarHBondContact O-N 3.09Å; S352-G354 PolarHBondContact O-N 3.46Å; G354-L357 PolarHBondContact O-N 2.81Å; G354-A358 PolarHBondContact O-N 3.48Å; G354-L457 VanDerWaalsContact O-CD2 3.24Å; G354-L457 WeakPolarHBondContact O-CD2 3.1Å
355	C	98.9	Very high	98.7	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.014	6%	0.064	C	C	.	.	H	α-helix	trans	-62.7	-45.7	176.4	-63.3	0	0	0	0	112.2	Y333 W351 S352 L353 L357 A358 E359	Y333-C355 HydrophobicContact CD1-CB 3.77Å; W351-C355 PolarHBondContact O-N 3.25Å; W351-C355 VanDerWaalsContact O-N 3.11Å; W351-C355 PolarHBondContact O-SG 3.14Å; W351-C355 VanDerWaalsContact O-SG 3.41Å; S352-C355 WeakPolarHBondContact O-CB 3.43Å; S352-C355 PolarHBondContact O-N 2.86Å; L353-C355 VanDerWaalsContact C-N 3.32Å; L353-C355 PolarHBondContact O-N 3.36Å; C355-L357 PolarHBondContact O-N 3.17Å; C355-A358 PolarHBondContact O-N 2.68Å; C355-E359 PolarHBondContact O-N 3.24Å; C355-E359 VanDerWaalsContact O-N 3.12Å
356	I	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.7	-45.7	177	-69.5	157.1	0	0	0	111.3	M277 L294 P296 Y333 S352 L353 A358 E359 L360	M277-I356 HydrophobicContact CE-CG2 4.04Å; M277-I356 HydrophobicContact SD-CG2 4.22Å; L294-I356 HydrophobicContact CD2-CD1 3.93Å; L294-I356 HydrophobicContact CG-CD1 3.72Å; P296-I356 HydrophobicContact CG-CG1 4.18Å; P296-I356 HydrophobicContact CG-CG2 4.44Å; Y333-I356 HydrophobicContact CD1-CG1 3.96Å; Y333-I356 HydrophobicContact CE1-CG1 4.17Å; S352-I356 WeakPolarHBondContact O-CD1 3.47Å; S352-I356 VanDerWaalsContact O-CG1 3.3Å; S352-I356 WeakPolarHBondContact O-CG1 3.44Å; S352-I356 PolarHBondContact O-N 2.9Å; L353-I356 PolarHBondContact O-N 3.43Å; I356-A358 PolarHBondContact O-N 3.13Å; I356-E359 PolarHBondContact O-N 3.03Å; I356-L360 HydrophobicContact CG2-CD1 3.7Å; I356-L360 HydrophobicContact CG2-CG 4.11Å; I356-L360 WeakPolarHBondContact O-CB 3.5Å; I356-L360 VanDerWaalsContact O-CG 3.29Å; I356-L360 WeakPolarHBondContact O-CG 3.43Å; I356-L360 PolarHBondContact O-N 3.02Å
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	-66.3	-37.6	-176.4	-68.3	178.1	0	0	0	112.3	V270 A274 M277 L353 G354 C355 L360 L361 F453 F456 L457 W479	V270-L357 HydrophobicContact CG1-CB 4.22Å; V270-L357 HydrophobicContact CG1-CD2 3.84Å; A274-L357 HydrophobicContact CB-CD1 3.83Å; A274-L357 HydrophobicContact CB-CD2 3.6Å; A274-L357 HydrophobicContact CB-CG 4.37Å; M277-L357 HydrophobicContact CE-CD2 3.72Å; L353-L357 HydrophobicContact CD1-CD1 4.04Å; L353-L357 HydrophobicContact CD1-CD2 4.32Å; L353-L357 HydrophobicContact CD1-CG 3.99Å; L353-L357 HydrophobicContact CG-CD1 3.97Å; L353-L357 HydrophobicContact CG-CG 4.28Å; L353-L357 VanDerWaalsContact O-CG 3.28Å; L353-L357 WeakPolarHBondContact O-CG 3.35Å; L353-L357 PolarHBondContact O-N 3.39Å; G354-L357 PolarHBondContact O-N 2.81Å; C355-L357 PolarHBondContact O-N 3.17Å; L357-L360 HydrophobicContact CD2-CD1 4.24Å; L357-L361 WeakPolarHBondContact O-CB 3.33Å; L357-L361 PolarHBondContact O-N 3.35Å; L357-F453 HydrophobicContact CB-CE2 4.02Å; L357-F453 HydrophobicContact CB-CZ 4.03Å; L357-F456 HydrophobicContact CD1-CD1 4.15Å; L357-F456 HydrophobicContact CD1-CE1 3.55Å; L357-F456 HydrophobicContact CD1-CZ 4.42Å; L357-L457 HydrophobicContact CB-CD2 4.08Å; L357-W479 HydrophobicContact CD1-CH2 4.33Å; L357-W479 HydrophobicContact CD1-CZ3 4.16Å
358	A	98.9	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.5	-37.8	173.3	0	0	0	0	0	112.3	G354 C355 I356 L361 T362 L366 L445 L457	G354-A358 PolarHBondContact O-N 3.48Å; C355-A358 PolarHBondContact O-N 2.68Å; I356-A358 PolarHBondContact O-N 3.13Å; A358-L361 PolarHBondContact O-N 2.98Å; A358-T362 WeakPolarHBondContact O-CB 3.47Å; A358-T362 WeakPolarHBondContact O-CG2 3.47Å; A358-T362 PolarHBondContact O-N 3.39Å; A358-T362 PolarHBondContact O-OG1 2.87Å; A358-L366 HydrophobicContact CB-CB 3.92Å; A358-L366 HydrophobicContact CB-CD1 4.14Å; A358-L366 HydrophobicContact CB-CD2 3.88Å; A358-L366 HydrophobicContact CB-CG 4.19Å; A358-L445 HydrophobicContact CB-CD2 3.84Å; A358-L457 HydrophobicContact CB-CD1 3.95Å
359	E	98.9	Very high	98.8	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.019	5%	0.053	C	C	.	.	H	α-helix	trans	-70.2	-41	175.5	177.3	164.5	-172.3	0	0	112.7	I257 Y333 C355 I356 L361 T362 G363 Y364 P365	I257-E359 HydrophobicContact CD1-CG 3.9Å; Y333-E359 WeakPolarHBondContact CE1-OE2 3.38Å; Y333-E359 PolarHBondContact OH-OE2 3.28Å; C355-E359 PolarHBondContact O-N 3.24Å; C355-E359 VanDerWaalsContact O-N 3.12Å; I356-E359 PolarHBondContact O-N 3.03Å; E359-L361 VanDerWaalsContact C-N 3.29Å; E359-L361 PolarHBondContact O-N 2.94Å; E359-T362 PolarHBondContact O-N 2.94Å; E359-G363 VanDerWaalsContact O-CA 3.23Å; E359-G363 WeakPolarHBondContact O-CA 3.42Å; E359-G363 PolarHBondContact O-N 3Å; E359-Y364 WeakPolarHBondContact CA-O 3.44Å; E359-P365 WeakPolarHBondContact OE1-CG 3.38Å
360	L	98.9	Very high	98.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.1	-39.6	172.4	-71.7	171.1	0	0	0	111.7	L253 I257 F265 V270 F273 M277 I356 L357	L253-L360 HydrophobicContact CB-CD2 4.14Å; L253-L360 HydrophobicContact CD1-CD1 4.09Å; L253-L360 HydrophobicContact CD1-CD2 4.05Å; I257-L360 HydrophobicContact CD1-CD2 4.06Å; I257-L360 HydrophobicContact CG1-CD2 4.19Å; F265-L360 WeakPolarHBondContact CB-O 3.36Å; F265-L360 HydrophobicContact CD2-CB 4.12Å; F265-L360 HydrophobicContact CD2-CD2 3.86Å; F265-L360 WeakPolarHBondContact CD2-O 3.04Å; F265-L360 HydrophobicContact CE2-CD2 3.69Å; F265-L360 PolarHBondContact N-O 3.43Å; V270-L360 HydrophobicContact CG1-CB 4.43Å; V270-L360 HydrophobicContact CG2-CB 4.13Å; F273-L360 HydrophobicContact CB-CD1 4.15Å; F273-L360 HydrophobicContact CD2-CD1 4.11Å; F273-L360 HydrophobicContact CD2-CD2 4.42Å; M277-L360 HydrophobicContact CE-CD1 4.28Å; I356-L360 HydrophobicContact CG2-CD1 3.7Å; I356-L360 HydrophobicContact CG2-CG 4.11Å; I356-L360 WeakPolarHBondContact O-CB 3.5Å; I356-L360 VanDerWaalsContact O-CG 3.29Å; I356-L360 WeakPolarHBondContact O-CG 3.43Å; I356-L360 PolarHBondContact O-N 3.02Å; L357-L360 HydrophobicContact CD2-CD1 4.24Å
361	L	98.8	Very high	98.6	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-68.4	-47.6	177	179	62.2	0	0	0	112.3	G264 F265 L267 V270 L357 A358 E359 M448 F453	G264-L361 WeakPolarHBondContact CA-O 3.41Å; F265-L361 PolarHBondContact N-O 3.49Å; F265-L361 WeakPolarHBondContact O-CD1 3.45Å; L267-L361 HydrophobicContact CD2-CD1 3.76Å; L267-L361 HydrophobicContact CD2-CD2 3.96Å; L267-L361 HydrophobicContact CD2-CG 4.47Å; L267-L361 HydrophobicContact CG-CD1 3.91Å; V270-L361 HydrophobicContact CG2-CB 4.18Å; V270-L361 HydrophobicContact CG2-CD1 4.45Å; L357-L361 WeakPolarHBondContact O-CB 3.33Å; L357-L361 PolarHBondContact O-N 3.35Å; A358-L361 PolarHBondContact O-N 2.98Å; E359-L361 VanDerWaalsContact C-N 3.29Å; E359-L361 PolarHBondContact O-N 2.94Å; L361-M448 HydrophobicContact CD1-CB 3.94Å; L361-M448 HydrophobicContact CD1-CE 4.42Å; L361-M448 HydrophobicContact CD2-CB 4.03Å; L361-M448 HydrophobicContact CG-CB 3.88Å; L361-M448 WeakPolarHBondContact O-CE 3.39Å; L361-F453 HydrophobicContact CB-CE1 4.28Å; L361-F453 HydrophobicContact CB-CZ 4.41Å; L361-F453 HydrophobicContact CD2-CD1 3.69Å; L361-F453 HydrophobicContact CD2-CE1 3.3Å; L361-F453 HydrophobicContact CD2-CZ 4.17Å; L361-F453 HydrophobicContact CG-CE1 4.4Å
362	T	98.7	Very high	98.5	Very high	5 Å²	5	15 Å²	15	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-95.3	-17.4	-168.2	61.7	0	0	0	0	114.7	A358 E359 Y364 L445 K446	A358-T362 WeakPolarHBondContact O-CB 3.47Å; A358-T362 WeakPolarHBondContact O-CG2 3.47Å; A358-T362 PolarHBondContact O-N 3.39Å; A358-T362 PolarHBondContact O-OG1 2.87Å; E359-T362 PolarHBondContact O-N 2.94Å; T362-Y364 WeakPolarHBondContact O-CD2 3.42Å; T362-Y364 PolarHBondContact OG1-N 3.32Å; T362-Y364 PolarHBondContact OG1-O 3.18Å; T362-Y364 VanDerWaalsContact OG1-O 3.08Å; T362-L445 HydrophobicContact CG2-CB 4.43Å; T362-L445 HydrophobicContact CG2-CD2 4.29Å; T362-K446 HydrophobicContact CG2-CG 4.46Å; T362-K446 PolarHBondContact O-NZ 3.39Å
363	G	98.6	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	81.9	2.1	-170.7	0	0	0	0	0	115.5	F262 E359	F262-G363 WeakPolarHBondContact CD1-O 3.29Å; E359-G363 VanDerWaalsContact O-CA 3.23Å; E359-G363 WeakPolarHBondContact O-CA 3.42Å; E359-G363 PolarHBondContact O-N 3Å
364	Y	98.5	Very high	98.4	Very high	118 Å²	118	18.9 Å²	18.9	46%	0.463	10%	0.095	S	C	.	.	S	Bend	trans	-140.3	146.4	-174.4	-64.8	-103.4	0	0	0	111.3	F262 E359 T362 L366	F262-Y364 HydrophobicContact CB-CE2 3.79Å; F262-Y364 VanDerWaalsContact O-CE2 3.3Å; F262-Y364 WeakPolarHBondContact O-CE2 3.34Å; E359-Y364 WeakPolarHBondContact CA-O 3.44Å; T362-Y364 WeakPolarHBondContact O-CD2 3.42Å; T362-Y364 PolarHBondContact OG1-N 3.32Å; T362-Y364 PolarHBondContact OG1-O 3.18Å; T362-Y364 VanDerWaalsContact OG1-O 3.08Å; Y364-L366 PolarHBondContact O-N 3.41Å
365	P	98.7	Very high	98.4	Very high	34 Å²	34	18.9 Å²	18.9	22%	0.221	10%	0.095	C	C	.	.			trans	-57.2	133.4	177.8	-21.7	29.2	0	0	0	112	F332 E359 L367 P368	F332-P365 HydrophobicContact CB-CB 4.39Å; F332-P365 HydrophobicContact CD2-CB 3.94Å; F332-P365 HydrophobicContact CD2-CG 3.89Å; F332-P365 HydrophobicContact CE2-CG 4.13Å; F332-P365 HydrophobicContact CG-CB 4.3Å; E359-P365 WeakPolarHBondContact OE1-CG 3.38Å; P365-L367 VanDerWaalsContact C-N 3.32Å; P365-L367 PolarHBondContact O-N 3.11Å; P365-P368 HydrophobicContact CB-CB 4.24Å
366	L	98.8	Very high	98.4	Very high	6 Å²	6	19 Å²	19	3%	0.031	10%	0.095	C	C	.	.	S	Bend	trans	-62.2	-40.6	-179.6	-178.2	64.7	0	0	0	112.1	A358 Y364 L382 R439 A444 L445 L461	A358-L366 HydrophobicContact CB-CB 3.92Å; A358-L366 HydrophobicContact CB-CD1 4.14Å; A358-L366 HydrophobicContact CB-CD2 3.88Å; A358-L366 HydrophobicContact CB-CG 4.19Å; Y364-L366 PolarHBondContact O-N 3.41Å; L366-L382 HydrophobicContact CD1-CD2 4.08Å; L366-L382 HydrophobicContact CD2-CD2 4.01Å; L366-L382 HydrophobicContact CG-CD2 4.04Å; L366-R439 PolarHBondContact O-NH1 3.17Å; L366-A444 HydrophobicContact CD1-CB 3.97Å; L366-L445 HydrophobicContact CD1-CD2 4.39Å; L366-L461 HydrophobicContact CD2-CD1 3.63Å
367	L	98.6	Very high	98.4	Very high	3 Å²	3	19 Å²	19	2%	0.016	10%	0.096	C	C	.	.	S	Bend	trans	-127.9	73.8	-173.3	-57.5	171	0	0	0	110.4	W351 P365 G369 Q375 L378 I379 L382	W351-L367 HydrophobicContact CZ2-CD1 3.95Å; P365-L367 VanDerWaalsContact C-N 3.32Å; P365-L367 PolarHBondContact O-N 3.11Å; L367-G369 VanDerWaalsContact C-N 3.33Å; L367-G369 PolarHBondContact O-N 3.47Å; L367-Q375 VanDerWaalsContact CB-NE2 3.29Å; L367-Q375 PolarHBondContact O-NE2 2.85Å; L367-Q375 PolarHBondContact O-OE1 3.25Å; L367-Q375 VanDerWaalsContact O-OE1 3.06Å; L367-L378 HydrophobicContact CD2-CB 3.99Å; L367-L378 WeakPolarHBondContact CD2-O 3.49Å; L367-I379 HydrophobicContact CD1-CG1 3.77Å; L367-I379 HydrophobicContact CD2-CG1 4.45Å; L367-L382 HydrophobicContact CD2-CD2 4.08Å
368	P	98.3	Very high	98.4	Very high	40 Å²	40	19.2 Å²	19.2	26%	0.26	10%	0.097	S	C	.	.			trans	-84	63.9	-174	35.2	-36.5	0	0	0	112.9	F332 P365 L378	F332-P368 HydrophobicContact CE1-CB 4.37Å; P365-P368 HydrophobicContact CB-CB 4.24Å; P368-L378 HydrophobicContact CG-CD1 4.47Å
369	G	98.1	Very high	98.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	10%	0.097	C	C	.	.			trans	-72	139.6	-176.2	0	0	0	0	0	114.6	R331 F332 L367 D374 Q375	R331-G369 WeakPolarHBondContact CD-O 3.41Å; F332-G369 WeakPolarHBondContact CE1-O 3.45Å; L367-G369 VanDerWaalsContact C-N 3.33Å; L367-G369 PolarHBondContact O-N 3.47Å; G369-D374 WeakPolarHBondContact CA-OD2 3.48Å; G369-Q375 VanDerWaalsContact CA-OE1 3.26Å
370	E	97.6	Very high	98.3	Very high	25 Å²	25	19.1 Å²	19.1	12%	0.117	10%	0.097	C	C	.	.	S	Bend	trans	-74.2	-42.9	-179.7	-69.9	164.2	-155.6	0	0	112.2	R331 D374 S427 K428 R429 R433	R331-E370 PolarHBondContact NE-O 3.35Å; R331-E370 PolarHBondContact NH1-O 3.43Å; R331-E370 PolarHBondContact NH2-O 3.14Å; E370-D374 HydrophobicContact CB-CB 4.25Å; E370-D374 PolarHBondContact N-OD2 3.03Å; E370-S427 VanDerWaalsContact CD-CB 3.49Å; E370-S427 VanDerWaalsContact OE1-CB 3.29Å; E370-S427 WeakPolarHBondContact OE1-CB 3.22Å; E370-S427 PolarHBondContact OE1-OG 3.16Å; E370-S427 WeakPolarHBondContact OE2-CB 3.27Å; E370-S427 PolarHBondContact OE2-OG 3.11Å; E370-K428 PolarHBondContact OE2-N 3.42Å; E370-R429 HydrophobicContact CG-CG 4.34Å; E370-R429 WeakPolarHBondContact OE1-CB 3.36Å; E370-R429 WeakPolarHBondContact OE2-CG 3.34Å; E370-R429 PolarHBondContact OE2-N 3.34Å; E370-R433 IonicContact OE1-NH2 3.45Å
371	D	97.3	Very high	98.3	Very high	32 Å²	32	20.2 Å²	20.2	17%	0.171	10%	0.102	C	C	.	.	S	Bend	trans	-137.6	-172	171.5	66	44.7	0	0	0	110.6	N373 D374 Q375 K428	D371-N373 VanDerWaalsContact C-N 3.33Å; D371-N373 PolarHBondContact O-N 3.45Å; D371-N373 WeakPolarHBondContact OD1-CA 3.33Å; D371-N373 WeakPolarHBondContact OD1-CB 3.28Å; D371-N373 PolarHBondContact OD1-N 3.3Å; D371-N373 PolarHBondContact OD1-ND2 3.47Å; D371-D374 PolarHBondContact O-N 3.46Å; D371-D374 PolarHBondContact OD1-N 3.48Å; D371-D374 VanDerWaalsContact OD1-N 3.16Å; D371-Q375 VanDerWaalsContact O-CB 3.27Å; D371-Q375 WeakPolarHBondContact O-CB 3.13Å; D371-Q375 PolarHBondContact O-N 3.47Å; D371-K428 WeakPolarHBondContact OD2-CE 3.37Å; D371-K428 IonicContact OD2-NZ 3.98Å; D371-K428 PolarHBondContact OD2-NZ 3.36Å
372	E	96.8	Very high	98.3	Very high	43 Å²	43	20.5 Å²	20.5	20%	0.201	10%	0.103	C	C	.	.	H	α-helix	trans	-68.5	-26.4	-178.1	61.7	179.2	173.3	0	0	114.6	I339 L376 R396 F400	I339-E372 HydrophobicContact CG2-CB 4.36Å; E372-L376 PolarHBondContact O-N 3.42Å; E372-R396 IonicContact OE1-CZ 3.62Å; E372-R396 IonicContact OE1-NH1 2.75Å; E372-R396 IonicContact OE1-NH2 3.95Å; E372-R396 PolarHBondContact OE1-NH2 3.1Å; E372-R396 IonicContact OE2-CZ 3.74Å; E372-R396 IonicContact OE2-NH1 3.13Å; E372-R396 PolarHBondContact OE2-NH1 3.38Å; E372-R396 IonicContact OE2-NH2 2.94Å; E372-R396 PolarHBondContact OE2-NH2 3.03Å; E372-R396 VanDerWaalsContact OE2-NH2 3.09Å; E372-F400 HydrophobicContact CG-CE1 4.29Å; E372-F400 HydrophobicContact CG-CZ 4.37Å
373	N	96.9	Very high	98.3	Very high	69 Å²	69	22.3 Å²	22.3	37%	0.369	11%	0.113	S	C	.	.	H	α-helix	trans	-74.6	-46	175.2	-59.7	-86.5	0	0	0	109.7	D371 Q375 L376 A377 F400	D371-N373 VanDerWaalsContact C-N 3.33Å; D371-N373 PolarHBondContact O-N 3.45Å; D371-N373 WeakPolarHBondContact OD1-CA 3.33Å; D371-N373 WeakPolarHBondContact OD1-CB 3.28Å; D371-N373 PolarHBondContact OD1-N 3.3Å; D371-N373 PolarHBondContact OD1-ND2 3.47Å; N373-Q375 VanDerWaalsContact C-N 3.31Å; N373-Q375 PolarHBondContact O-N 2.84Å; N373-L376 PolarHBondContact O-N 3.06Å; N373-A377 WeakPolarHBondContact O-CB 3.49Å; N373-A377 PolarHBondContact O-N 2.97Å; N373-F400 HydrophobicContact CB-CD1 4.45Å; N373-F400 HydrophobicContact CB-CE1 4.39Å; N373-F400 VanDerWaalsContact OD1-CD1 3.27Å; N373-F400 WeakPolarHBondContact OD1-CD1 3.16Å; N373-F400 VanDerWaalsContact OD1-CE1 3.24Å; N373-F400 WeakPolarHBondContact OD1-CE1 3.36Å
374	D	98.5	Very high	98.3	Very high	13 Å²	13	22.8 Å²	22.8	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-66.1	-33.9	177.1	-169.7	57.3	0	0	0	112.1	G369 E370 D371 A377 L378 S427 R433	G369-D374 WeakPolarHBondContact CA-OD2 3.48Å; E370-D374 HydrophobicContact CB-CB 4.25Å; E370-D374 PolarHBondContact N-OD2 3.03Å; D371-D374 PolarHBondContact O-N 3.46Å; D371-D374 PolarHBondContact OD1-N 3.48Å; D371-D374 VanDerWaalsContact OD1-N 3.16Å; D374-A377 PolarHBondContact O-N 3.23Å; D374-L378 WeakPolarHBondContact O-CG 3.39Å; D374-L378 PolarHBondContact O-N 2.92Å; D374-S427 WeakPolarHBondContact OD1-CB 3.22Å; D374-R433 IonicContact OD1-CZ 2.73Å; D374-R433 IonicContact OD1-NE 2.69Å; D374-R433 PolarHBondContact OD1-NE 3.31Å; D374-R433 IonicContact OD1-NH2 2.63Å; D374-R433 PolarHBondContact OD1-NH2 2.86Å; D374-R433 IonicContact OD2-CZ 3.04Å; D374-R433 IonicContact OD2-NE 3.12Å; D374-R433 IonicContact OD2-NH2 2.62Å; D374-R433 PolarHBondContact OD2-NH2 3.43Å
375	Q	98.8	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-47.6	171.8	-170.7	67	31.5	0	0	111.3	R331 I339 L367 G369 D371 N373 L378 I379	R331-Q375 HydrophobicContact CG-CB 4.2Å; R331-Q375 HydrophobicContact CG-CG 4.17Å; R331-Q375 PolarHBondContact O-NE2 3.5Å; R331-Q375 PolarHBondContact O-OE1 2.85Å; I339-Q375 HydrophobicContact CD1-CB 4.17Å; I339-Q375 HydrophobicContact CD1-CG 3.76Å; L367-Q375 VanDerWaalsContact CB-NE2 3.29Å; L367-Q375 PolarHBondContact O-NE2 2.85Å; L367-Q375 PolarHBondContact O-OE1 3.25Å; L367-Q375 VanDerWaalsContact O-OE1 3.06Å; G369-Q375 VanDerWaalsContact CA-OE1 3.26Å; D371-Q375 VanDerWaalsContact O-CB 3.27Å; D371-Q375 WeakPolarHBondContact O-CB 3.13Å; D371-Q375 PolarHBondContact O-N 3.47Å; N373-Q375 VanDerWaalsContact C-N 3.31Å; N373-Q375 PolarHBondContact O-N 2.84Å; Q375-L378 PolarHBondContact O-N 3.39Å; Q375-I379 WeakPolarHBondContact O-CG1 3.3Å; Q375-I379 PolarHBondContact O-N 2.72Å; Q375-I379 VanDerWaalsContact O-N 3.17Å
376	L	98.6	Very high	98.1	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-70.8	-33	178.9	-169.5	63.6	0	0	0	112.4	I339 L340 E372 N373 I379 I380 F400 W463	I339-L376 HydrophobicContact CG2-CB 4.25Å; I339-L376 HydrophobicContact CG2-CD2 4.3Å; L340-L376 HydrophobicContact CD2-CD2 3.83Å; L340-L376 HydrophobicContact CG-CD2 4.49Å; E372-L376 PolarHBondContact O-N 3.42Å; N373-L376 PolarHBondContact O-N 3.06Å; L376-I379 HydrophobicContact CD1-CB 4.44Å; L376-I379 HydrophobicContact CD1-CD1 4.25Å; L376-I379 WeakPolarHBondContact O-CB 3.32Å; L376-I379 PolarHBondContact O-N 3.44Å; L376-I380 HydrophobicContact CG-CD1 4.09Å; L376-I380 WeakPolarHBondContact O-CG1 3.48Å; L376-I380 PolarHBondContact O-N 3.31Å; L376-F400 HydrophobicContact CD2-CB 3.5Å; L376-F400 HydrophobicContact CD2-CD1 3.83Å; L376-F400 HydrophobicContact CD2-CD2 3.85Å; L376-F400 HydrophobicContact CD2-CG 3.45Å; L376-F400 VanDerWaalsContact CD2-CG 3.45Å; L376-W463 HydrophobicContact CD1-CH2 3.72Å; L376-W463 HydrophobicContact CD1-CZ3 3.87Å
377	A	98.6	Very high	97.9	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.017	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-45.1	172.4	0	0	0	0	0	111.7	N373 D374 I379 I380 E381 Y409 R433	N373-A377 WeakPolarHBondContact O-CB 3.49Å; N373-A377 PolarHBondContact O-N 2.97Å; D374-A377 PolarHBondContact O-N 3.23Å; A377-I379 VanDerWaalsContact C-N 3.32Å; A377-I379 PolarHBondContact O-N 2.9Å; A377-I380 PolarHBondContact O-N 2.81Å; A377-E381 VanDerWaalsContact O-CB 3.32Å; A377-E381 WeakPolarHBondContact O-CB 3.43Å; A377-E381 PolarHBondContact O-N 2.77Å; A377-Y409 HydrophobicContact CB-CD1 3.55Å; A377-Y409 HydrophobicContact CB-CD2 3.85Å; A377-Y409 HydrophobicContact CB-CE1 3.9Å; A377-Y409 HydrophobicContact CB-CE2 4.16Å; A377-Y409 HydrophobicContact CB-CG 3.54Å; A377-R433 HydrophobicContact CB-CG 4.36Å
378	L	98.8	Very high	97.6	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-34.4	174.8	-75	164	0	0	0	113.2	L367 P368 D374 Q375 L382	L367-L378 HydrophobicContact CD2-CB 3.99Å; L367-L378 WeakPolarHBondContact CD2-O 3.49Å; P368-L378 HydrophobicContact CG-CD1 4.47Å; D374-L378 WeakPolarHBondContact O-CG 3.39Å; D374-L378 PolarHBondContact O-N 2.92Å; Q375-L378 PolarHBondContact O-N 3.39Å; L378-L382 PolarHBondContact O-N 3.23Å
379	I	98.8	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-48.5	174	-65.6	169.9	0	0	0	109.7	I339 W351 L367 Q375 L376 A377 E381 L382 L383 W463	I339-I379 HydrophobicContact CD1-CD1 4.12Å; W351-I379 HydrophobicContact CH2-CD1 4.19Å; W351-I379 HydrophobicContact CH2-CG1 4.26Å; W351-I379 HydrophobicContact CH2-CG2 3.76Å; W351-I379 HydrophobicContact CZ2-CD1 3.66Å; W351-I379 HydrophobicContact CZ2-CG1 3.86Å; W351-I379 HydrophobicContact CZ2-CG2 4.23Å; L367-I379 HydrophobicContact CD1-CG1 3.77Å; L367-I379 HydrophobicContact CD2-CG1 4.45Å; Q375-I379 WeakPolarHBondContact O-CG1 3.3Å; Q375-I379 PolarHBondContact O-N 2.72Å; Q375-I379 VanDerWaalsContact O-N 3.17Å; L376-I379 HydrophobicContact CD1-CB 4.44Å; L376-I379 HydrophobicContact CD1-CD1 4.25Å; L376-I379 WeakPolarHBondContact O-CB 3.32Å; L376-I379 PolarHBondContact O-N 3.44Å; A377-I379 VanDerWaalsContact C-N 3.32Å; A377-I379 PolarHBondContact O-N 2.9Å; I379-E381 PolarHBondContact O-N 2.86Å; I379-L382 PolarHBondContact O-N 3.46Å; I379-L383 HydrophobicContact CG2-CD1 3.77Å; I379-L383 HydrophobicContact CG2-CG 4.32Å; I379-L383 WeakPolarHBondContact O-CB 3.41Å; I379-L383 PolarHBondContact O-N 3.33Å; I379-W463 HydrophobicContact CB-CH2 4.28Å; I379-W463 HydrophobicContact CG2-CH2 3.44Å; I379-W463 VanDerWaalsContact CG2-CH2 3.44Å; I379-W463 HydrophobicContact CG2-CZ2 3.5Å; I379-W463 VanDerWaalsContact CG2-CZ2 3.5Å; I379-W463 HydrophobicContact CG2-CZ3 4.02Å
380	I	98.8	Very high	96.7	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-39.8	-179.3	-68.4	170.4	0	0	0	111.6	L376 A377 L382 G384 M385 I401 P407 Y409 P436 A437 W463	L376-I380 HydrophobicContact CG-CD1 4.09Å; L376-I380 WeakPolarHBondContact O-CG1 3.48Å; L376-I380 PolarHBondContact O-N 3.31Å; A377-I380 PolarHBondContact O-N 2.81Å; I380-L382 VanDerWaalsContact C-N 3.27Å; I380-L382 PolarHBondContact O-N 3.21Å; I380-G384 WeakPolarHBondContact CA-O 3.28Å; I380-G384 VanDerWaalsContact O-CA 3.29Å; I380-G384 WeakPolarHBondContact O-CA 3.39Å; I380-G384 PolarHBondContact O-N 3.12Å; I380-M385 HydrophobicContact CD1-SD 4.46Å; I380-M385 HydrophobicContact CG2-SD 3.75Å; I380-I401 HydrophobicContact CD1-CD1 4.22Å; I380-P407 HydrophobicContact CD1-CB 4.07Å; I380-Y409 HydrophobicContact CB-CE1 4.09Å; I380-Y409 HydrophobicContact CD1-CE1 4.41Å; I380-Y409 HydrophobicContact CG2-CE1 3.94Å; I380-P436 HydrophobicContact CG2-CB 3.72Å; I380-P436 HydrophobicContact CG2-CG 3.63Å; I380-P436 WeakPolarHBondContact O-CA 3.22Å; I380-A437 PolarHBondContact O-N 3.49Å; I380-W463 HydrophobicContact CG1-CH2 3.79Å; I380-W463 HydrophobicContact CG1-CZ2 3.83Å
381	E	98.8	Very high	96.4	Very high	23 Å²	23	30.2 Å²	30.2	11%	0.107	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-35.4	175.3	-172.8	-167.7	-143.6	0	0	112.6	A377 I379 G434 A437 S438 R439	A377-E381 VanDerWaalsContact O-CB 3.32Å; A377-E381 WeakPolarHBondContact O-CB 3.43Å; A377-E381 PolarHBondContact O-N 2.77Å; I379-E381 PolarHBondContact O-N 2.86Å; E381-G434 PolarHBondContact OE1-N 3.43Å; E381-A437 CarbonylContact O-C 3.23Å; E381-A437 VanDerWaalsContact O-C 3.23Å; E381-A437 WeakPolarHBondContact O-CA 3.37Å; E381-A437 PolarHBondContact O-N 3.38Å; E381-S438 PolarHBondContact O-N 3.02Å; E381-S438 VanDerWaalsContact O-N 3.08Å; E381-R439 HydrophobicContact CG-CB 3.77Å; E381-R439 PolarHBondContact O-N 3.37Å
382	L	98.8	Very high	96.1	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-91.4	-39.2	-178.4	-179.9	62.8	0	0	0	113.8	L366 L367 L378 I379 I380 R439 W441 A444	L366-L382 HydrophobicContact CD1-CD2 4.08Å; L366-L382 HydrophobicContact CD2-CD2 4.01Å; L366-L382 HydrophobicContact CG-CD2 4.04Å; L367-L382 HydrophobicContact CD2-CD2 4.08Å; L378-L382 PolarHBondContact O-N 3.23Å; I379-L382 PolarHBondContact O-N 3.46Å; I380-L382 VanDerWaalsContact C-N 3.27Å; I380-L382 PolarHBondContact O-N 3.21Å; L382-R439 HydrophobicContact CD1-CG 4.43Å; L382-R439 WeakPolarHBondContact CD1-O 3.35Å; L382-W441 HydrophobicContact CD1-CD2 4.31Å; L382-W441 HydrophobicContact CD2-CH2 4.33Å; L382-W441 HydrophobicContact CG-CZ2 4.39Å; L382-A444 HydrophobicContact CD1-CB 3.76Å
383	L	98.5	Very high	95.8	Very high	44 Å²	44	38.4 Å²	38.4	23%	0.23	21%	0.209	C	C	.	.	H	α-helix	trans	-106.4	-9.3	-169.8	-56.5	-174.1	0	0	0	114.2	W351 I379 W441 L461	W351-L383 HydrophobicContact CH2-CD1 3.67Å; W351-L383 HydrophobicContact CZ3-CD1 4.06Å; I379-L383 HydrophobicContact CG2-CD1 3.77Å; I379-L383 HydrophobicContact CG2-CG 4.32Å; I379-L383 WeakPolarHBondContact O-CB 3.41Å; I379-L383 PolarHBondContact O-N 3.33Å; L383-W441 HydrophobicContact CD2-CH2 4.06Å; L383-W441 HydrophobicContact CD2-CZ2 3.47Å; L383-W441 VanDerWaalsContact CD2-CZ2 3.47Å; L383-L461 HydrophobicContact CD1-CB 4.41Å; L383-L461 WeakPolarHBondContact CD1-O 3.4Å
384	G	98.3	Very high	95.7	Very high	10 Å²	10	35.6 Å²	35.6	10%	0.103	20%	0.196	C	C	.	.			trans	80	-172.5	-167	0	0	0	0	0	112.3	I380 W463	I380-G384 WeakPolarHBondContact CA-O 3.28Å; I380-G384 VanDerWaalsContact O-CA 3.29Å; I380-G384 WeakPolarHBondContact O-CA 3.39Å; I380-G384 PolarHBondContact O-N 3.12Å; G384-W463 VanDerWaalsContact O-CZ2 3.29Å; G384-W463 WeakPolarHBondContact O-CZ2 3.41Å; G384-W463 PolarHBondContact O-NE1 3.39Å
385	M	97.7	Very high	95.6	Very high	65 Å²	65	44.2 Å²	44.2	32%	0.32	23%	0.232	S	C	.	.	S	Bend	trans	-69	147	-177.5	-69	-64.4	-68.8	0	0	112.2	I380 I401 G405 P407 P436	I380-M385 HydrophobicContact CD1-SD 4.46Å; I380-M385 HydrophobicContact CG2-SD 3.75Å; M385-I401 HydrophobicContact CE-CD1 4.01Å; M385-G405 WeakPolarHBondContact CE-O 3.4Å; M385-P407 HydrophobicContact CE-CB 4.37Å; M385-P407 HydrophobicContact CE-CG 4.4Å; M385-P407 HydrophobicContact SD-CB 4.09Å; M385-P407 HydrophobicContact SD-CG 3.79Å; M385-P436 HydrophobicContact CG-CB 3.97Å; M385-P436 HydrophobicContact CG-CG 3.94Å; M385-P436 HydrophobicContact SD-CB 4.22Å; M385-P436 HydrophobicContact SD-CG 3.68Å
386	P	95.8	Very high	95.5	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.058	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-59.1	142.1	168.4	23.7	-32.9	0	0	0	111.2	L391 W463	P386-L391 HydrophobicContact CB-CD2 4.19Å; P386-L391 HydrophobicContact CB-CG 4.35Å; P386-L391 HydrophobicContact CG-CD1 4.18Å; P386-L391 HydrophobicContact CG-CD2 3.76Å; P386-L391 HydrophobicContact CG-CG 4.1Å; P386-W463 HydrophobicContact CB-CD2 3.92Å; P386-W463 HydrophobicContact CB-CE3 3.71Å; P386-W463 HydrophobicContact CB-CH2 4.01Å; P386-W463 HydrophobicContact CB-CZ2 4.21Å; P386-W463 HydrophobicContact CB-CZ3 3.76Å; P386-W463 HydrophobicContact CG-CH2 4.17Å; P386-W463 HydrophobicContact CG-CZ2 4.47Å; P386-W463 HydrophobicContact CG-CZ3 4.29Å
387	P	93.9	Very high	95.4	Very high	53 Å²	53	48.3 Å²	48.3	34%	0.344	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-57.7	148.4	173	-24.4	34	0	0	0	112.4	K389 S390 L391 W463	P387-K389 VanDerWaalsContact C-N 3.34Å; P387-K389 PolarHBondContact O-N 3.49Å; P387-S390 WeakPolarHBondContact O-CB 3.47Å; P387-S390 PolarHBondContact O-N 3.5Å; P387-L391 PolarHBondContact O-N 3.3Å; P387-W463 HydrophobicContact CG-CB 4.19Å
388	P	91.6	Very high	95.3	Very high	98 Å²	98	58.7 Å²	58.7	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-53.7	-44.7	179.1	-28.8	36.1	0	0	0	114.1	S390 L391 E392	P388-S390 PolarHBondContact O-N 3.08Å; P388-L391 WeakPolarHBondContact O-CA 3.35Å; P388-L391 WeakPolarHBondContact O-CB 2.94Å; P388-L391 PolarHBondContact O-N 2.83Å; P388-E392 PolarHBondContact O-N 2.78Å; P388-E392 VanDerWaalsContact O-N 3.1Å
389	K	89.2	Confident	95.2	Very high	103 Å²	103	61.9 Å²	61.9	45%	0.448	31%	0.309	S	S	.	.	H	α-helix	trans	-50.6	-39.6	174	-176.5	-165.5	169.2	-152.9	0	112.7	P387 L391 D464 E466	P387-K389 VanDerWaalsContact C-N 3.34Å; P387-K389 PolarHBondContact O-N 3.49Å; K389-L391 VanDerWaalsContact C-N 3.27Å; K389-L391 PolarHBondContact O-N 3.46Å; K389-D464 IonicContact NZ-OD2 3.09Å; K389-D464 PolarHBondContact NZ-OD2 2.84Å; K389-E466 IonicContact NZ-OE2 3.72Å; K389-E466 PolarHBondContact NZ-OE2 3.45Å
390	S	89	Confident	95.1	Very high	15 Å²	15	62.4 Å²	62.4	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-71.1	-21.3	179.1	-48.6	0	0	0	0	113	P387 P388	P387-S390 WeakPolarHBondContact O-CB 3.47Å; P387-S390 PolarHBondContact O-N 3.5Å; P388-S390 PolarHBondContact O-N 3.08Å
391	L	92.1	Very high	95	Very high	39 Å²	39	62.7 Å²	62.7	20%	0.204	31%	0.313	C	S	.	.	H	α-helix	trans	-90.9	-28	177.4	-63.3	179.8	0	0	0	113.3	L340 P386 P387 P388 K389 T393 A394 A397 I401	L340-L391 HydrophobicContact CD1-CD2 4.45Å; L340-L391 HydrophobicContact CD2-CD2 4.35Å; P386-L391 HydrophobicContact CB-CD2 4.19Å; P386-L391 HydrophobicContact CB-CG 4.35Å; P386-L391 HydrophobicContact CG-CD1 4.18Å; P386-L391 HydrophobicContact CG-CD2 3.76Å; P386-L391 HydrophobicContact CG-CG 4.1Å; P387-L391 PolarHBondContact O-N 3.3Å; P388-L391 WeakPolarHBondContact O-CA 3.35Å; P388-L391 WeakPolarHBondContact O-CB 2.94Å; P388-L391 PolarHBondContact O-N 2.83Å; K389-L391 VanDerWaalsContact C-N 3.27Å; K389-L391 PolarHBondContact O-N 3.46Å; L391-T393 VanDerWaalsContact C-N 3.31Å; L391-T393 PolarHBondContact O-N 2.86Å; L391-A394 WeakPolarHBondContact O-CB 3.29Å; L391-A394 PolarHBondContact O-N 3.4Å; L391-A394 VanDerWaalsContact O-N 3.14Å; L391-A397 HydrophobicContact CD2-CB 4.02Å; L391-I401 HydrophobicContact CD1-CG1 4.41Å; L391-I401 HydrophobicContact CD1-CG2 4.49Å; L391-I401 HydrophobicContact CD2-CG1 4.13Å
392	E	90.3	Very high	94.9	Very high	152 Å²	152	63.6 Å²	63.6	71%	0.71	32%	0.32	S	S	*	.	H	α-helix	trans	-58	-40.8	-179.6	-73.8	163.8	-154.7	0	0	112.9	P388	P388-E392 PolarHBondContact O-N 2.78Å; P388-E392 VanDerWaalsContact O-N 3.1Å
393	T	91	Very high	94.6	Very high	96 Å²	96	69.4 Å²	69.4	59%	0.589	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.2	179.4	61.8	0	0	0	0	113.7	T342 L391 K395	T342-T393 WeakPolarHBondContact CG2-OG1 3.3Å; L391-T393 VanDerWaalsContact C-N 3.31Å; L391-T393 PolarHBondContact O-N 2.86Å; T393-K395 PolarHBondContact O-N 3Å
394	A	95.2	Very high	94.2	Very high	10 Å²	10	74.8 Å²	74.8	8%	0.083	38%	0.383	C	S	.	.			trans	-85.9	98.1	-171.2	0	0	0	0	0	112.4	L340 T342 L391 R396 A397	L340-A394 HydrophobicContact CB-CB 3.93Å; L340-A394 CarbonylContact O-C 3.49Å; T342-A394 VanDerWaalsContact CG2-CA 3.47Å; T342-A394 HydrophobicContact CG2-CB 3.63Å; L391-A394 WeakPolarHBondContact O-CB 3.29Å; L391-A394 PolarHBondContact O-N 3.4Å; L391-A394 VanDerWaalsContact O-N 3.14Å; A394-R396 PolarHBondContact O-N 3.27Å; A394-A397 HydrophobicContact CB-CB 3.76Å; A394-A397 WeakPolarHBondContact O-CB 3.23Å; A394-A397 PolarHBondContact O-N 2.8Å
395	K	96.2	Very high	94	Very high	193 Å²	193	76.1 Å²	76.1	84%	0.839	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.4	-179.5	-61.7	-179.1	-179.1	-177.7	0	114	L340 G341 T393	L340-K395 PolarHBondContact O-N 3.41Å; G341-K395 WeakPolarHBondContact O-CG 3.33Å; T393-K395 PolarHBondContact O-N 3Å
396	R	96.6	Very high	93.9	Very high	76 Å²	76	76.4 Å²	76.4	29%	0.287	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	6.3	-178.8	-50.1	179.1	69.4	-148.2	7.9	113.8	I339 L340 E372 A394 R398 T399 F400	I339-R396 PolarHBondContact O-NH1 2.82Å; L340-R396 WeakPolarHBondContact O-CA 3.49Å; L340-R396 VanDerWaalsContact O-CB 3.32Å; L340-R396 WeakPolarHBondContact O-CB 3.29Å; L340-R396 PolarHBondContact O-N 3.45Å; E372-R396 IonicContact OE1-CZ 3.62Å; E372-R396 IonicContact OE1-NH1 2.75Å; E372-R396 IonicContact OE1-NH2 3.95Å; E372-R396 PolarHBondContact OE1-NH2 3.1Å; E372-R396 IonicContact OE2-CZ 3.74Å; E372-R396 IonicContact OE2-NH1 3.13Å; E372-R396 PolarHBondContact OE2-NH1 3.38Å; E372-R396 IonicContact OE2-NH2 2.94Å; E372-R396 PolarHBondContact OE2-NH2 3.03Å; E372-R396 VanDerWaalsContact OE2-NH2 3.09Å; A394-R396 PolarHBondContact O-N 3.27Å; R396-R398 PolarHBondContact O-N 3.19Å; R396-R398 VanDerWaalsContact O-N 3.15Å; R396-T399 VanDerWaalsContact O-CB 3.23Å; R396-T399 WeakPolarHBondContact O-CB 3.44Å; R396-T399 PolarHBondContact O-N 2.98Å; R396-T399 PolarHBondContact O-OG1 2.91Å; R396-F400 HydrophobicContact CB-CE2 4.01Å; R396-F400 VanDerWaalsContact O-CD2 3.28Å; R396-F400 WeakPolarHBondContact O-CD2 3.46Å
397	A	96.3	Very high	94	Very high	13 Å²	13	76 Å²	76	11%	0.107	39%	0.392	C	S	.	.	H	α-helix	trans	-52.1	-41.7	-178.5	0	0	0	0	0	112.9	L391 A394 T399 F400 I401	L391-A397 HydrophobicContact CD2-CB 4.02Å; A394-A397 HydrophobicContact CB-CB 3.76Å; A394-A397 WeakPolarHBondContact O-CB 3.23Å; A394-A397 PolarHBondContact O-N 2.8Å; A397-T399 PolarHBondContact O-N 3.29Å; A397-T399 VanDerWaalsContact O-N 3.13Å; A397-F400 PolarHBondContact O-N 3.4Å; A397-I401 PolarHBondContact O-N 2.73Å
398	R	95.8	Very high	94.1	Very high	221 Å²	221	80.1 Å²	80.1	83%	0.834	40%	0.4	S	S	*	.	H	α-helix	trans	-62.1	-19.9	179.8	-64.3	-177.1	-178.5	179.5	0.7	114.4	R396 F400 R408	R396-R398 PolarHBondContact O-N 3.19Å; R396-R398 VanDerWaalsContact O-N 3.15Å; R398-F400 VanDerWaalsContact C-N 3.34Å; R398-R408 PolarHBondContact O-NE 2.69Å; R398-R408 PolarHBondContact O-NH2 3.17Å
399	T	96.8	Very high	94.4	Very high	70 Å²	70	77.5 Å²	77.5	43%	0.429	38%	0.378	S	S	.	.	H	α-helix	trans	-70.9	-30.7	173.7	-56.2	0	0	0	0	111.9	R396 A397 R408	R396-T399 VanDerWaalsContact O-CB 3.23Å; R396-T399 WeakPolarHBondContact O-CB 3.44Å; R396-T399 PolarHBondContact O-N 2.98Å; R396-T399 PolarHBondContact O-OG1 2.91Å; A397-T399 PolarHBondContact O-N 3.29Å; A397-T399 VanDerWaalsContact O-N 3.13Å; T399-R408 VanDerWaalsContact O-CD 3.23Å; T399-R408 WeakPolarHBondContact O-CD 3.41Å
400	F	97.2	Very high	94.8	Very high	11 Å²	11	73.3 Å²	73.3	5%	0.048	36%	0.361	C	S	.	.	H	α-helix	trans	-114.6	-27.1	-171.3	-52.3	-74.4	0	0	0	113.8	I339 L340 E372 N373 L376 R396 A397 R398 R408	I339-F400 HydrophobicContact CG2-CE1 4.03Å; I339-F400 HydrophobicContact CG2-CE2 3.87Å; I339-F400 HydrophobicContact CG2-CZ 3.53Å; I339-F400 WeakPolarHBondContact O-CE2 3.49Å; L340-F400 HydrophobicContact CD2-CD2 4Å; E372-F400 HydrophobicContact CG-CE1 4.29Å; E372-F400 HydrophobicContact CG-CZ 4.37Å; N373-F400 HydrophobicContact CB-CD1 4.45Å; N373-F400 HydrophobicContact CB-CE1 4.39Å; N373-F400 VanDerWaalsContact OD1-CD1 3.27Å; N373-F400 WeakPolarHBondContact OD1-CD1 3.16Å; N373-F400 VanDerWaalsContact OD1-CE1 3.24Å; N373-F400 WeakPolarHBondContact OD1-CE1 3.36Å; L376-F400 HydrophobicContact CD2-CB 3.5Å; L376-F400 HydrophobicContact CD2-CD1 3.83Å; L376-F400 HydrophobicContact CD2-CD2 3.85Å; L376-F400 HydrophobicContact CD2-CG 3.45Å; L376-F400 VanDerWaalsContact CD2-CG 3.45Å; R396-F400 HydrophobicContact CB-CE2 4.01Å; R396-F400 VanDerWaalsContact O-CD2 3.28Å; R396-F400 WeakPolarHBondContact O-CD2 3.46Å; A397-F400 PolarHBondContact O-N 3.4Å; R398-F400 VanDerWaalsContact C-N 3.34Å; F400-R408 WeakPolarHBondContact O-CB 3.45Å; F400-R408 WeakPolarHBondContact O-CG 3.33Å; F400-R408 PolarHBondContact O-N 3.19Å
401	I	97.1	Very high	95.1	Very high	8 Å²	8	76.7 Å²	76.7	4%	0.041	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-117.4	141.4	-177.5	-47	-60.2	0	0	0	108.8	I380 M385 L391 A397 G405 P407 R408	I380-I401 HydrophobicContact CD1-CD1 4.22Å; M385-I401 HydrophobicContact CE-CD1 4.01Å; L391-I401 HydrophobicContact CD1-CG1 4.41Å; L391-I401 HydrophobicContact CD1-CG2 4.49Å; L391-I401 HydrophobicContact CD2-CG1 4.13Å; A397-I401 PolarHBondContact O-N 2.73Å; I401-G405 WeakPolarHBondContact CG2-O 3.39Å; I401-P407 HydrophobicContact CD1-CB 4.25Å; I401-R408 PolarHBondContact O-NE 2.99Å; I401-R408 VanDerWaalsContact O-NE 3.15Å
402	T	95.6	Very high	95.2	Very high	41 Å²	41	77 Å²	77	25%	0.252	39%	0.39	S	S	.	.			trans	-77.1	165.5	175.3	62.4	0	0	0	0	111.3	K404 G405 Y406 R408	T402-K404 PolarHBondContact O-N 3.1Å; T402-G405 PolarHBondContact O-N 3.35Å; T402-Y406 WeakPolarHBondContact CB-O 3.43Å; T402-Y406 WeakPolarHBondContact CG2-O 3.46Å; T402-Y406 PolarHBondContact N-O 2.85Å; T402-Y406 PolarHBondContact OG1-N 2.89Å; T402-Y406 PolarHBondContact OG1-O 2.63Å; T402-R408 HydrophobicContact CG2-CG 3.68Å
403	S	92.1	Very high	95.4	Very high	130 Å²	130	73.1 Å²	73.1	91%	0.909	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.1	173.4	48.4	0	0	0	0	113.8	G405	S403-G405 VanDerWaalsContact C-N 3.29Å
404	K	91.7	Very high	95.6	Very high	158 Å²	158	72.7 Å²	72.7	69%	0.687	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	5.6	174.5	-61.8	-172.3	178.1	-174.4	0	113.5	T402 Y406	T402-K404 PolarHBondContact O-N 3.1Å; K404-Y406 VanDerWaalsContact C-N 3.3Å; K404-Y406 HydrophobicContact CB-CD2 3.71Å; K404-Y406 HydrophobicContact CB-CE2 3.53Å; K404-Y406 HydrophobicContact CD-CD2 4.49Å; K404-Y406 HydrophobicContact CD-CE2 3.91Å; K404-Y406 HydrophobicContact CG-CE2 4.38Å; K404-Y406 PolarHBondContact O-N 3.02Å
405	G	92.8	Very high	95.5	Very high	37 Å²	37	75.9 Å²	75.9	38%	0.381	39%	0.392	S	S	.	.	S	Bend	trans	82.6	-6.3	-179.2	0	0	0	0	0	115.4	M385 I401 T402 S403	M385-G405 WeakPolarHBondContact CE-O 3.4Å; I401-G405 WeakPolarHBondContact CG2-O 3.39Å; T402-G405 PolarHBondContact O-N 3.35Å; S403-G405 VanDerWaalsContact C-N 3.29Å
406	Y	95.8	Very high	95.4	Very high	71 Å²	71	73.4 Å²	73.4	28%	0.278	40%	0.395	S	S	.	.			trans	-76.1	145.3	177.9	-49.1	-50	0	0	0	112.2	T402 K404 A412 V420 L422	T402-Y406 WeakPolarHBondContact CB-O 3.43Å; T402-Y406 WeakPolarHBondContact CG2-O 3.46Å; T402-Y406 PolarHBondContact N-O 2.85Å; T402-Y406 PolarHBondContact OG1-N 2.89Å; T402-Y406 PolarHBondContact OG1-O 2.63Å; K404-Y406 VanDerWaalsContact C-N 3.3Å; K404-Y406 HydrophobicContact CB-CD2 3.71Å; K404-Y406 HydrophobicContact CB-CE2 3.53Å; K404-Y406 HydrophobicContact CD-CD2 4.49Å; K404-Y406 HydrophobicContact CD-CE2 3.91Å; K404-Y406 HydrophobicContact CG-CE2 4.38Å; K404-Y406 PolarHBondContact O-N 3.02Å; Y406-A412 HydrophobicContact CD2-CB 3.85Å; Y406-A412 HydrophobicContact CE2-CB 4.31Å; Y406-A412 HydrophobicContact CG-CB 4.26Å; Y406-V420 HydrophobicContact CE1-CG1 4.19Å; Y406-V420 HydrophobicContact CE2-CG1 4.19Å; Y406-L422 HydrophobicContact CD1-CD1 4.43Å; Y406-L422 HydrophobicContact CD1-CD2 3.94Å; Y406-L422 HydrophobicContact CG-CD2 4.01Å
407	P	97.2	Very high	95.3	Very high	2 Å²	2	75.8 Å²	75.8	1%	0.013	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-72.6	134.1	176.7	32.3	-33.9	0	0	0	110.4	I380 M385 I401 Y409 C410 L422 P436	I380-P407 HydrophobicContact CD1-CB 4.07Å; M385-P407 HydrophobicContact CE-CB 4.37Å; M385-P407 HydrophobicContact CE-CG 4.4Å; M385-P407 HydrophobicContact SD-CB 4.09Å; M385-P407 HydrophobicContact SD-CG 3.79Å; I401-P407 HydrophobicContact CD1-CB 4.25Å; P407-Y409 HydrophobicContact CB-CD1 3.78Å; P407-Y409 HydrophobicContact CB-CE1 3.72Å; P407-Y409 HydrophobicContact CG-CD1 4.31Å; P407-Y409 HydrophobicContact CG-CE1 3.93Å; P407-Y409 PolarHBondContact O-N 3.04Å; P407-C410 HydrophobicContact CG-CB 4.09Å; P407-C410 PolarHBondContact O-N 3.48Å; P407-L422 HydrophobicContact CG-CD1 4.44Å; P407-P436 HydrophobicContact CG-CG 4.07Å
408	R	97.1	Very high	95	Very high	139 Å²	139	78.1 Å²	78.1	53%	0.525	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.5	-173.8	-71.9	176.5	178.4	-83.2	9.2	115	R398 T399 F400 I401 T402 C410	R398-R408 PolarHBondContact O-NE 2.69Å; R398-R408 PolarHBondContact O-NH2 3.17Å; T399-R408 VanDerWaalsContact O-CD 3.23Å; T399-R408 WeakPolarHBondContact O-CD 3.41Å; F400-R408 WeakPolarHBondContact O-CB 3.45Å; F400-R408 WeakPolarHBondContact O-CG 3.33Å; F400-R408 PolarHBondContact O-N 3.19Å; I401-R408 PolarHBondContact O-NE 2.99Å; I401-R408 VanDerWaalsContact O-NE 3.15Å; T402-R408 HydrophobicContact CG2-CG 3.68Å; R408-C410 VanDerWaalsContact C-N 3.29Å
409	Y	96.9	Very high	94.8	Very high	42 Å²	42	69.9 Å²	69.9	17%	0.165	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-16	171.8	85.5	-91.4	0	0	0	112.1	A377 I380 P407 A425 R433 G434	A377-Y409 HydrophobicContact CB-CD1 3.55Å; A377-Y409 HydrophobicContact CB-CD2 3.85Å; A377-Y409 HydrophobicContact CB-CE1 3.9Å; A377-Y409 HydrophobicContact CB-CE2 4.16Å; A377-Y409 HydrophobicContact CB-CG 3.54Å; I380-Y409 HydrophobicContact CB-CE1 4.09Å; I380-Y409 HydrophobicContact CD1-CE1 4.41Å; I380-Y409 HydrophobicContact CG2-CE1 3.94Å; P407-Y409 HydrophobicContact CB-CD1 3.78Å; P407-Y409 HydrophobicContact CB-CE1 3.72Å; P407-Y409 HydrophobicContact CG-CD1 4.31Å; P407-Y409 HydrophobicContact CG-CE1 3.93Å; P407-Y409 PolarHBondContact O-N 3.04Å; Y409-A425 WeakPolarHBondContact O-CB 3.08Å; Y409-R433 HydrophobicContact CD2-CB 4.04Å; Y409-R433 HydrophobicContact CE2-CB 3.83Å; Y409-G434 VanDerWaalsContact CE2-O 3.26Å; Y409-G434 WeakPolarHBondContact CE2-O 3.24Å; Y409-G434 PolarHBondContact OH-O 3.38Å
410	C	97.3	Very high	94.7	Very high	15 Å²	15	68.9 Å²	68.9	10%	0.101	41%	0.409	C	S	.	.	S	Bend	trans	-93.2	149.3	175.6	-72.7	0	0	0	0	111.8	P407 R408 L422 A423	P407-C410 HydrophobicContact CG-CB 4.09Å; P407-C410 PolarHBondContact O-N 3.48Å; R408-C410 VanDerWaalsContact C-N 3.29Å; C410-L422 HydrophobicContact CB-CB 4.28Å; C410-L422 HydrophobicContact CB-CD2 4.35Å; C410-A423 CarbonylContact C-O 3.52Å; C410-A423 WeakPolarHBondContact CA-O 3.43Å; C410-A423 VanDerWaalsContact CB-O 3.22Å; C410-A423 WeakPolarHBondContact CB-O 3.5Å; C410-A423 PolarHBondContact SG-O 2.94Å
411	T	95.4	Very high	94.5	Very high	87 Å²	87	71.7 Å²	71.7	53%	0.534	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127	161.5	-57.2	0	0	0	0	108.2	L422 A423	T411-L422 WeakPolarHBondContact O-CA 3.42Å; T411-A423 PolarHBondContact N-O 3.18Å; T411-A423 PolarHBondContact O-N 3.23Å
412	A	94.9	Very high	94.5	Very high	46 Å²	46	73.1 Å²	73.1	38%	0.38	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.2	176.4	0	0	0	0	0	110	Y406 V420 L422	Y406-A412 HydrophobicContact CD2-CB 3.85Å; Y406-A412 HydrophobicContact CE2-CB 4.31Å; Y406-A412 HydrophobicContact CG-CB 4.26Å; A412-V420 HydrophobicContact CB-CG1 3.98Å; A412-L422 HydrophobicContact CB-CD2 3.64Å
413	T	94.8	Very high	94.5	Very high	69 Å²	69	73.5 Å²	73.5	42%	0.423	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.9	179.6	-56.6	0	0	0	0	109.5	V420 V421	T413-V420 WeakPolarHBondContact O-CA 3.18Å; T413-V421 PolarHBondContact N-O 2.85Å; T413-V421 PolarHBondContact O-N 2.89Å
414	S	94.3	Very high	94.6	Very high	87 Å²	87	68.4 Å²	68.4	61%	0.608	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	129.6	169.8	-69.9	0	0	0	0	110.2	S419	S414-S419 WeakPolarHBondContact CA-O 3.44Å
415	M	94	Very high	94.8	Very high	77 Å²	77	62.4 Å²	62.4	38%	0.379	39%	0.39	S	S	.	.			trans	-93	162.2	177.9	-66.6	-59.2	-171.1	0	0	111.2	D417 G418 S419 V421	M415-D417 WeakPolarHBondContact CB-OD1 3.31Å; M415-D417 PolarHBondContact O-N 3.45Å; M415-G418 PolarHBondContact O-N 3.41Å; M415-S419 WeakPolarHBondContact CB-OG 3.46Å; M415-S419 PolarHBondContact N-O 2.88Å; M415-V421 HydrophobicContact CE-CB 3.91Å; M415-V421 HydrophobicContact CE-CG2 3.55Å; M415-V421 HydrophobicContact CG-CG2 3.97Å
416	P	94	Very high	94.9	Very high	141 Å²	141	69 Å²	69	92%	0.916	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.3	-179.8	-24.9	35.6	0	0	0	115	G418	P416-G418 VanDerWaalsContact C-N 3.25Å; P416-G418 PolarHBondContact O-N 2.91Å
417	D	93.8	Very high	94.9	Very high	126 Å²	126	66.3 Å²	66.3	67%	0.674	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	2.2	175.1	66.6	-5	0	0	0	113.6	M415 S419	M415-D417 WeakPolarHBondContact CB-OD1 3.31Å; M415-D417 PolarHBondContact O-N 3.45Å; D417-S419 VanDerWaalsContact C-N 3.27Å; D417-S419 PolarHBondContact O-N 3.16Å; D417-S419 WeakPolarHBondContact OD1-CB 3.19Å; D417-S419 PolarHBondContact OD1-N 3.27Å; D417-S419 PolarHBondContact OD1-OG 3.08Å; D417-S419 PolarHBondContact OD2-OG 3.13Å
418	G	89.9	Confident	94.8	Very high	62 Å²	62	74.5 Å²	74.5	64%	0.639	43%	0.43	S	S	*	.	S	Bend	trans	82.1	-4.3	-176.3	0	0	0	0	0	114.6	M415 P416	M415-G418 PolarHBondContact O-N 3.41Å; P416-G418 VanDerWaalsContact C-N 3.25Å; P416-G418 PolarHBondContact O-N 2.91Å
419	S	92.6	Very high	94.7	Very high	48 Å²	48	75.7 Å²	75.7	34%	0.336	44%	0.435	S	S	.	.			trans	-69.4	160.1	173.6	74.1	0	0	0	0	111.5	S414 M415 D417	S414-S419 WeakPolarHBondContact CA-O 3.44Å; M415-S419 WeakPolarHBondContact CB-OG 3.46Å; M415-S419 PolarHBondContact N-O 2.88Å; D417-S419 VanDerWaalsContact C-N 3.27Å; D417-S419 PolarHBondContact O-N 3.16Å; D417-S419 WeakPolarHBondContact OD1-CB 3.19Å; D417-S419 PolarHBondContact OD1-N 3.27Å; D417-S419 PolarHBondContact OD1-OG 3.08Å; D417-S419 PolarHBondContact OD2-OG 3.13Å
420	V	93.6	Very high	94.6	Very high	50 Å²	50	75.2 Å²	75.2	30%	0.303	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.7	176.2	177.1	0	0	0	0	109.5	Y406 A412 T413 L422	Y406-V420 HydrophobicContact CE1-CG1 4.19Å; Y406-V420 HydrophobicContact CE2-CG1 4.19Å; A412-V420 HydrophobicContact CB-CG1 3.98Å; T413-V420 WeakPolarHBondContact O-CA 3.18Å; V420-L422 HydrophobicContact CG1-CD2 4.46Å
421	V	94.5	Very high	94.5	Very high	70 Å²	70	79.7 Å²	79.7	42%	0.424	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.9	174.8	179	0	0	0	0	109.2	T413 M415	T413-V421 PolarHBondContact N-O 2.85Å; T413-V421 PolarHBondContact O-N 2.89Å; M415-V421 HydrophobicContact CE-CB 3.91Å; M415-V421 HydrophobicContact CE-CG2 3.55Å; M415-V421 HydrophobicContact CG-CG2 3.97Å
422	L	96.5	Very high	94.6	Very high	38 Å²	38	80.3 Å²	80.3	20%	0.199	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.1	172.8	-62.3	-177.9	0	0	0	109.7	Y406 P407 C410 T411 A412 V420 P435 P436	Y406-L422 HydrophobicContact CD1-CD1 4.43Å; Y406-L422 HydrophobicContact CD1-CD2 3.94Å; Y406-L422 HydrophobicContact CG-CD2 4.01Å; P407-L422 HydrophobicContact CG-CD1 4.44Å; C410-L422 HydrophobicContact CB-CB 4.28Å; C410-L422 HydrophobicContact CB-CD2 4.35Å; T411-L422 WeakPolarHBondContact O-CA 3.42Å; A412-L422 HydrophobicContact CB-CD2 3.64Å; V420-L422 HydrophobicContact CG1-CD2 4.46Å; L422-P435 HydrophobicContact CB-CB 4.15Å; L422-P435 WeakPolarHBondContact O-CB 3.37Å; L422-P436 HydrophobicContact CD1-CG 3.96Å
423	A	95.9	Very high	94.7	Very high	48 Å²	48	79 Å²	79	40%	0.397	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.8	167.4	0	0	0	0	0	110	C410 T411	C410-A423 CarbonylContact C-O 3.52Å; C410-A423 WeakPolarHBondContact CA-O 3.43Å; C410-A423 VanDerWaalsContact CB-O 3.22Å; C410-A423 WeakPolarHBondContact CB-O 3.5Å; C410-A423 PolarHBondContact SG-O 2.94Å; T411-A423 PolarHBondContact N-O 3.18Å; T411-A423 PolarHBondContact O-N 3.23Å
424	G	94.6	Very high	94.8	Very high	23 Å²	23	76.2 Å²	76.2	24%	0.237	43%	0.429	C	S	.	.			trans	-65.8	174.7	170.1	0	0	0	0	0	113.3	R433	G424-R433 CarbonylContact C-O 3.41Å; G424-R433 WeakPolarHBondContact CA-O 3.38Å
425	A	94.6	Very high	95	Very high	33 Å²	33	74.2 Å²	74.2	27%	0.273	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	172	176.8	0	0	0	0	0	112.3	Y409 R433	Y409-A425 WeakPolarHBondContact O-CB 3.08Å; A425-R433 PolarHBondContact N-O 3.22Å; A425-R433 PolarHBondContact O-N 3.22Å
426	R	95.8	Very high	95.2	Very high	174 Å²	174	72 Å²	72	66%	0.657	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	141.1	175.1	-66.8	-177.8	-177.6	-89.1	2.3	111.2	G430 K431 M432	R426-G430 WeakPolarHBondContact CD-O 3.32Å; R426-G430 PolarHBondContact NH1-O 2.68Å; R426-K431 CarbonylContact C-O 3.59Å; R426-K431 VanDerWaalsContact CA-O 3.3Å; R426-K431 WeakPolarHBondContact CA-O 3.22Å; R426-M432 HydrophobicContact CG-CE 4.06Å; R426-M432 HydrophobicContact CG-SD 4.19Å
427	S	95.5	Very high	95.4	Very high	16 Å²	16	68.3 Å²	68.3	11%	0.112	39%	0.387	C	S	.	.			trans	-63.9	172	166.3	75.4	0	0	0	0	111.4	E370 D374 R429 G430 K431	E370-S427 VanDerWaalsContact CD-CB 3.49Å; E370-S427 VanDerWaalsContact OE1-CB 3.29Å; E370-S427 WeakPolarHBondContact OE1-CB 3.22Å; E370-S427 PolarHBondContact OE1-OG 3.16Å; E370-S427 WeakPolarHBondContact OE2-CB 3.27Å; E370-S427 PolarHBondContact OE2-OG 3.11Å; D374-S427 WeakPolarHBondContact OD1-CB 3.22Å; S427-R429 PolarHBondContact O-N 2.92Å; S427-R429 PolarHBondContact OG-N 2.99Å; S427-G430 WeakPolarHBondContact O-CA 3.29Å; S427-G430 PolarHBondContact O-N 3.06Å; S427-G430 PolarHBondContact OG-N 3.12Å; S427-K431 PolarHBondContact N-O 2.96Å; S427-K431 WeakPolarHBondContact OG-CB 3.21Å; S427-K431 PolarHBondContact OG-N 3.08Å
428	K	94.3	Very high	95.6	Very high	174 Å²	174	65.3 Å²	65.3	76%	0.757	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-31	177.4	-71.5	171.8	177	164.7	0	112.5	E370 D371 G430	E370-K428 PolarHBondContact OE2-N 3.42Å; D371-K428 WeakPolarHBondContact OD2-CE 3.37Å; D371-K428 IonicContact OD2-NZ 3.98Å; D371-K428 PolarHBondContact OD2-NZ 3.36Å; K428-G430 VanDerWaalsContact C-N 3.3Å
429	R	95.1	Very high	96	Very high	163 Å²	163	65 Å²	65	62%	0.615	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	17.3	173	-53.7	172.6	-169.4	-162.3	-4.2	113.2	E5 E370 S427 K431	E5-R429 IonicContact OE1-CZ 3.8Å; E5-R429 IonicContact OE1-NH2 3.68Å; E5-R429 PolarHBondContact OE1-NH2 2.98Å; E370-R429 HydrophobicContact CG-CG 4.34Å; E370-R429 WeakPolarHBondContact OE1-CB 3.36Å; E370-R429 WeakPolarHBondContact OE2-CG 3.34Å; E370-R429 PolarHBondContact OE2-N 3.34Å; S427-R429 PolarHBondContact O-N 2.92Å; S427-R429 PolarHBondContact OG-N 2.99Å; R429-K431 PolarHBondContact O-N 3.33Å
430	G	95	Very high	96.3	Very high	32 Å²	32	65 Å²	65	33%	0.33	36%	0.355	S	S	.	.	S	Bend	trans	80.2	3.9	171.7	0	0	0	0	0	116.2	R426 S427 K428	R426-G430 WeakPolarHBondContact CD-O 3.32Å; R426-G430 PolarHBondContact NH1-O 2.68Å; S427-G430 WeakPolarHBondContact O-CA 3.29Å; S427-G430 PolarHBondContact O-N 3.06Å; S427-G430 PolarHBondContact OG-N 3.12Å; K428-G430 VanDerWaalsContact C-N 3.3Å
431	K	95.8	Very high	96.5	Very high	109 Å²	109	64.4 Å²	64.4	47%	0.474	35%	0.347	S	S	.	.			trans	-75.9	132.4	-179.2	-62.4	-179.3	177.3	178.7	0	110.3	R426 S427 R429	R426-K431 CarbonylContact C-O 3.59Å; R426-K431 VanDerWaalsContact CA-O 3.3Å; R426-K431 WeakPolarHBondContact CA-O 3.22Å; S427-K431 PolarHBondContact N-O 2.96Å; S427-K431 WeakPolarHBondContact OG-CB 3.21Å; S427-K431 PolarHBondContact OG-N 3.08Å; R429-K431 PolarHBondContact O-N 3.33Å
432	M	96.6	Very high	96.6	Very high	101 Å²	101	64 Å²	64	50%	0.498	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	145.7	177	-165.3	60.9	77.2	0	0	111.4	R426	R426-M432 HydrophobicContact CG-CE 4.06Å; R426-M432 HydrophobicContact CG-SD 4.19Å
433	R	97.5	Very high	96.7	Very high	17 Å²	17	66.8 Å²	66.8	6%	0.064	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.1	166.1	-54.2	-62.3	175.6	-123.5	4.1	107	E370 D374 A377 Y409 G424 A425	E370-R433 IonicContact OE1-NH2 3.45Å; D374-R433 IonicContact OD1-CZ 2.73Å; D374-R433 IonicContact OD1-NE 2.69Å; D374-R433 PolarHBondContact OD1-NE 3.31Å; D374-R433 IonicContact OD1-NH2 2.63Å; D374-R433 PolarHBondContact OD1-NH2 2.86Å; D374-R433 IonicContact OD2-CZ 3.04Å; D374-R433 IonicContact OD2-NE 3.12Å; D374-R433 IonicContact OD2-NH2 2.62Å; D374-R433 PolarHBondContact OD2-NH2 3.43Å; A377-R433 HydrophobicContact CB-CG 4.36Å; Y409-R433 HydrophobicContact CD2-CB 4.04Å; Y409-R433 HydrophobicContact CE2-CB 3.83Å; G424-R433 CarbonylContact C-O 3.41Å; G424-R433 WeakPolarHBondContact CA-O 3.38Å; A425-R433 PolarHBondContact N-O 3.22Å; A425-R433 PolarHBondContact O-N 3.22Å
434	G	97.8	Very high	96.8	Very high	12 Å²	12	64.9 Å²	64.9	12%	0.124	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-71.5	171.8	175.9	0	0	0	0	0	113.3	E381 Y409 S438	E381-G434 PolarHBondContact OE1-N 3.43Å; Y409-G434 VanDerWaalsContact CE2-O 3.26Å; Y409-G434 WeakPolarHBondContact CE2-O 3.24Å; Y409-G434 PolarHBondContact OH-O 3.38Å; G434-S438 VanDerWaalsContact CA-OG 3.3Å; G434-S438 WeakPolarHBondContact CA-OG 3.28Å
435	P	98.2	Very high	96.9	Very high	44 Å²	44	63.9 Å²	63.9	29%	0.286	34%	0.34	S	S	.	.	S	Bend	trans	-65.3	173.1	176.4	27.6	-33.1	0	0	0	112.6	L422 A437 S438	L422-P435 HydrophobicContact CB-CB 4.15Å; L422-P435 WeakPolarHBondContact O-CB 3.37Å; P435-A437 PolarHBondContact O-N 3.07Å; P435-S438 WeakPolarHBondContact O-CB 3.35Å; P435-S438 PolarHBondContact O-N 3.38Å; P435-S438 VanDerWaalsContact O-N 3.12Å; P435-S438 PolarHBondContact O-OG 2.95Å
436	P	98.4	Very high	97	Very high	32 Å²	32	67.1 Å²	67.1	21%	0.208	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	133.5	-178.6	-27.2	34.1	0	0	0	113.5	I380 M385 P407 L422 S438	I380-P436 HydrophobicContact CG2-CB 3.72Å; I380-P436 HydrophobicContact CG2-CG 3.63Å; I380-P436 WeakPolarHBondContact O-CA 3.22Å; M385-P436 HydrophobicContact CG-CB 3.97Å; M385-P436 HydrophobicContact CG-CG 3.94Å; M385-P436 HydrophobicContact SD-CB 4.22Å; M385-P436 HydrophobicContact SD-CG 3.68Å; P407-P436 HydrophobicContact CG-CG 4.07Å; L422-P436 HydrophobicContact CD1-CG 3.96Å; P436-S438 PolarHBondContact O-N 3.45Å; P436-S438 VanDerWaalsContact O-N 3.16Å
437	A	98.1	Very high	97	Very high	62 Å²	62	65.1 Å²	65.1	51%	0.512	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	14.8	-178.1	0	0	0	0	0	116.5	I380 E381 P435 R439	I380-A437 PolarHBondContact O-N 3.49Å; E381-A437 CarbonylContact O-C 3.23Å; E381-A437 VanDerWaalsContact O-C 3.23Å; E381-A437 WeakPolarHBondContact O-CA 3.37Å; E381-A437 PolarHBondContact O-N 3.38Å; P435-A437 PolarHBondContact O-N 3.07Å; A437-R439 VanDerWaalsContact C-N 3.31Å; A437-R439 PolarHBondContact O-N 3.48Å
438	S	98.2	Very high	97	Very high	63 Å²	63	67.6 Å²	67.6	44%	0.441	36%	0.361	S	S	.	.			trans	-72.5	-20.3	179.8	69.4	0	0	0	0	114.5	E381 G434 P435 P436	E381-S438 PolarHBondContact O-N 3.02Å; E381-S438 VanDerWaalsContact O-N 3.08Å; G434-S438 VanDerWaalsContact CA-OG 3.3Å; G434-S438 WeakPolarHBondContact CA-OG 3.28Å; P435-S438 WeakPolarHBondContact O-CB 3.35Å; P435-S438 PolarHBondContact O-N 3.38Å; P435-S438 VanDerWaalsContact O-N 3.12Å; P435-S438 PolarHBondContact O-OG 2.95Å; P436-S438 PolarHBondContact O-N 3.45Å; P436-S438 VanDerWaalsContact O-N 3.16Å
439	R	97.9	Very high	96.9	Very high	57 Å²	57	60.5 Å²	60.5	22%	0.215	34%	0.337	C	S	.	.	S	Bend	trans	-93.3	110.4	179.2	-178.5	177.7	179.2	-151.9	-2.7	109.9	L366 E381 L382 A437 A444	L366-R439 PolarHBondContact O-NH1 3.17Å; E381-R439 HydrophobicContact CG-CB 3.77Å; E381-R439 PolarHBondContact O-N 3.37Å; L382-R439 HydrophobicContact CD1-CG 4.43Å; L382-R439 WeakPolarHBondContact CD1-O 3.35Å; A437-R439 VanDerWaalsContact C-N 3.31Å; A437-R439 PolarHBondContact O-N 3.48Å; R439-A444 HydrophobicContact CG-CB 4.41Å
440	S	98.1	Very high	96.9	Very high	48 Å²	48	54.5 Å²	54.5	34%	0.336	32%	0.317	S	S	.	.			trans	-67.8	152.9	178.1	71	0	0	0	0	112.8	S442 T443 A444	S440-S442 VanDerWaalsContact C-N 3.29Å; S440-S442 PolarHBondContact O-N 3.38Å; S440-S442 PolarHBondContact OG-OG 3.04Å; S440-T443 PolarHBondContact O-N 3.41Å; S440-T443 WeakPolarHBondContact OG-CB 3.45Å; S440-T443 PolarHBondContact OG-N 3.03Å; S440-T443 PolarHBondContact OG-OG1 3.03Å; S440-A444 VanDerWaalsContact O-CB 3.32Å; S440-A444 WeakPolarHBondContact O-CB 3.39Å; S440-A444 PolarHBondContact O-N 2.87Å
441	W	98.1	Very high	97	Very high	36 Å²	36	61.1 Å²	61.1	14%	0.136	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-33.5	173.8	-74.8	88.5	0	0	0	113.1	L382 L383 A444 L445 V454 L457 K458 L461	L382-W441 HydrophobicContact CD1-CD2 4.31Å; L382-W441 HydrophobicContact CD2-CH2 4.33Å; L382-W441 HydrophobicContact CG-CZ2 4.39Å; L383-W441 HydrophobicContact CD2-CH2 4.06Å; L383-W441 HydrophobicContact CD2-CZ2 3.47Å; L383-W441 VanDerWaalsContact CD2-CZ2 3.47Å; W441-A444 PolarHBondContact O-N 3.47Å; W441-L445 HydrophobicContact CE3-CD1 4.29Å; W441-L445 WeakPolarHBondContact O-CB 3.37Å; W441-L445 WeakPolarHBondContact O-CG 3.32Å; W441-L445 PolarHBondContact O-N 2.87Å; W441-V454 HydrophobicContact CB-CG1 4.11Å; W441-V454 HydrophobicContact CD2-CG1 4.21Å; W441-V454 HydrophobicContact CE3-CG1 4.43Å; W441-V454 HydrophobicContact CG-CG1 4.07Å; W441-L457 HydrophobicContact CH2-CB 4.3Å; W441-L457 HydrophobicContact CZ3-CB 3.87Å; W441-L457 HydrophobicContact CZ3-CD1 4.15Å; W441-K458 HydrophobicContact CD2-CG 4.42Å; W441-K458 HydrophobicContact CH2-CG 4.1Å; W441-K458 HydrophobicContact CZ2-CG 3.53Å; W441-L461 HydrophobicContact CH2-CD1 3.91Å; W441-L461 HydrophobicContact CZ3-CD1 4.38Å
442	S	97.4	Very high	97.1	Very high	62 Å²	62	57.8 Å²	57.8	43%	0.434	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-48.8	176.1	49.2	0	0	0	0	111.1	S440 L445 K446 N447	S440-S442 VanDerWaalsContact C-N 3.29Å; S440-S442 PolarHBondContact O-N 3.38Å; S440-S442 PolarHBondContact OG-OG 3.04Å; S442-L445 CarbonylContact O-C 3.55Å; S442-L445 PolarHBondContact O-N 3.3Å; S442-K446 PolarHBondContact O-N 2.89Å; S442-N447 WeakPolarHBondContact CB-OD1 3.24Å; S442-N447 PolarHBondContact O-N 3.35Å; S442-N447 PolarHBondContact O-OD1 3.48Å
443	T	97.3	Very high	97.2	Very high	97 Å²	97	53 Å²	53	60%	0.595	30%	0.303	S	S	*	.	H	α-helix	trans	-64.8	-41.9	173.4	-59.3	0	0	0	0	111.9	S440 L445 K446	S440-T443 PolarHBondContact O-N 3.41Å; S440-T443 WeakPolarHBondContact OG-CB 3.45Å; S440-T443 PolarHBondContact OG-N 3.03Å; S440-T443 PolarHBondContact OG-OG1 3.03Å; T443-L445 VanDerWaalsContact C-N 3.28Å; T443-L445 PolarHBondContact O-N 3.03Å; T443-K446 PolarHBondContact O-N 3.13Å
444	A	97.8	Very high	97.3	Very high	7 Å²	7	53.4 Å²	53.4	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-34.1	179.3	0	0	0	0	0	113.2	L366 L382 R439 S440 W441	L366-A444 HydrophobicContact CD1-CB 3.97Å; L382-A444 HydrophobicContact CD1-CB 3.76Å; R439-A444 HydrophobicContact CG-CB 4.41Å; S440-A444 VanDerWaalsContact O-CB 3.32Å; S440-A444 WeakPolarHBondContact O-CB 3.39Å; S440-A444 PolarHBondContact O-N 2.87Å; W441-A444 PolarHBondContact O-N 3.47Å
445	L	98.2	Very high	97.3	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	13.6	179.6	-58.3	177.6	0	0	0	113.8	A358 T362 L366 W441 S442 T443 N447 M448 F453 V454 L457	A358-L445 HydrophobicContact CB-CD2 3.84Å; T362-L445 HydrophobicContact CG2-CB 4.43Å; T362-L445 HydrophobicContact CG2-CD2 4.29Å; L366-L445 HydrophobicContact CD1-CD2 4.39Å; W441-L445 HydrophobicContact CE3-CD1 4.29Å; W441-L445 WeakPolarHBondContact O-CB 3.37Å; W441-L445 WeakPolarHBondContact O-CG 3.32Å; W441-L445 PolarHBondContact O-N 2.87Å; S442-L445 CarbonylContact O-C 3.55Å; S442-L445 PolarHBondContact O-N 3.3Å; T443-L445 VanDerWaalsContact C-N 3.28Å; T443-L445 PolarHBondContact O-N 3.03Å; L445-N447 PolarHBondContact O-N 3.35Å; L445-N447 VanDerWaalsContact O-N 3.13Å; L445-M448 VanDerWaalsContact O-CB 3.32Å; L445-M448 WeakPolarHBondContact O-CB 3.43Å; L445-M448 PolarHBondContact O-N 3.42Å; L445-F453 HydrophobicContact CD1-CD1 4.23Å; L445-F453 HydrophobicContact CD1-CE1 4.26Å; L445-F453 HydrophobicContact CD2-CE1 4.46Å; L445-V454 HydrophobicContact CD1-CG2 3.8Å; L445-L457 HydrophobicContact CD1-CD1 3.96Å; L445-L457 HydrophobicContact CD2-CD1 3.85Å
446	K	96.7	Very high	97.3	Very high	102 Å²	102	53.1 Å²	53.1	44%	0.443	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	32.3	-178.5	-54.2	177.4	178.9	175.6	0	114.4	T362 S442 T443 M448	T362-K446 HydrophobicContact CG2-CG 4.46Å; T362-K446 PolarHBondContact O-NZ 3.39Å; S442-K446 PolarHBondContact O-N 2.89Å; T443-K446 PolarHBondContact O-N 3.13Å; K446-M448 HydrophobicContact CB-CG 4.12Å; K446-M448 HydrophobicContact CB-SD 4.12Å; K446-M448 HydrophobicContact CD-SD 4.31Å; K446-M448 PolarHBondContact O-N 3.02Å
447	N	95.3	Very high	97.4	Very high	132 Å²	132	51.6 Å²	51.6	71%	0.706	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	17.7	-172.3	-50.9	-43.8	0	0	0	115.3	S442 L445	S442-N447 WeakPolarHBondContact CB-OD1 3.24Å; S442-N447 PolarHBondContact O-N 3.35Å; S442-N447 PolarHBondContact O-OD1 3.48Å; L445-N447 PolarHBondContact O-N 3.35Å; L445-N447 VanDerWaalsContact O-N 3.13Å
448	M	95.5	Very high	97.4	Very high	67 Å²	67	53.8 Å²	53.8	33%	0.33	29%	0.289	S	S	.	.			trans	-90.7	-11	-176.2	-57.6	175.3	71	0	0	114.2	L361 L445 K446	L361-M448 HydrophobicContact CD1-CB 3.94Å; L361-M448 HydrophobicContact CD1-CE 4.42Å; L361-M448 HydrophobicContact CD2-CB 4.03Å; L361-M448 HydrophobicContact CG-CB 3.88Å; L361-M448 WeakPolarHBondContact O-CE 3.39Å; L445-M448 VanDerWaalsContact O-CB 3.32Å; L445-M448 WeakPolarHBondContact O-CB 3.43Å; L445-M448 PolarHBondContact O-N 3.42Å; K446-M448 HydrophobicContact CB-CG 4.12Å; K446-M448 HydrophobicContact CB-SD 4.12Å; K446-M448 HydrophobicContact CD-SD 4.31Å; K446-M448 PolarHBondContact O-N 3.02Å
449	G	93	Very high	97.4	Very high	26 Å²	26	56.5 Å²	56.5	27%	0.268	29%	0.289	S	S	.	.			trans	-94	134.8	-175.9	0	0	0	0	0	113.2
450	D	95.1	Very high	97.5	Very high	37 Å²	37	53.8 Å²	53.8	20%	0.198	28%	0.279	C	S	.	.			trans	-79.4	161.3	168.3	78.3	-12.3	0	0	0	111.4	L267 L452 F453 V454 R482	L267-D450 HydrophobicContact CD1-CB 4.06Å; D450-L452 PolarHBondContact O-N 2.63Å; D450-F453 WeakPolarHBondContact O-CB 3.49Å; D450-F453 PolarHBondContact O-N 3.24Å; D450-F453 WeakPolarHBondContact OD1-CB 3.5Å; D450-F453 PolarHBondContact OD1-N 2.77Å; D450-V454 PolarHBondContact O-N 3.31Å; D450-R482 IonicContact OD2-NH1 2.99Å; D450-R482 PolarHBondContact OD2-NH1 3.23Å
451	E	97	Very high	97.5	Very high	171 Å²	171	51.7 Å²	51.7	80%	0.799	26%	0.264	S	S	*	.	H	α-helix	trans	-53	-41.8	-177.8	-172.5	-168.6	168.3	0	0	112.4	F453 V454 D455	E451-F453 PolarHBondContact O-N 3.46Å; E451-V454 PolarHBondContact O-N 2.98Å; E451-D455 PolarHBondContact O-N 3.18Å
452	L	97.6	Very high	97.5	Very high	39 Å²	39	52.4 Å²	52.4	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-67.5	-34.4	179.2	-63.5	179.9	0	0	0	112.6	D450 F456 K478 W479	D450-L452 PolarHBondContact O-N 2.63Å; L452-F456 WeakPolarHBondContact O-CB 3.36Å; L452-F456 PolarHBondContact O-N 3.34Å; L452-K478 HydrophobicContact CD1-CB 4.49Å; L452-K478 HydrophobicContact CD2-CB 4.02Å; L452-K478 HydrophobicContact CD2-CD 4.4Å; L452-W479 HydrophobicContact CB-CB 3.94Å; L452-W479 HydrophobicContact CB-CG 4.42Å; L452-W479 WeakPolarHBondContact O-CB 3.37Å
453	F	98.4	Very high	97.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-70.1	-39.7	172.4	-177	-116	0	0	0	111.7	L267 V270 L357 L361 L445 D450 E451 F456 L457 W479	L267-F453 HydrophobicContact CD2-CB 4.07Å; L267-F453 HydrophobicContact CD2-CD1 3.95Å; L267-F453 HydrophobicContact CD2-CD2 4.29Å; L267-F453 HydrophobicContact CD2-CE1 4.47Å; L267-F453 HydrophobicContact CD2-CG 3.83Å; V270-F453 HydrophobicContact CG1-CE2 4.1Å; V270-F453 HydrophobicContact CG1-CZ 4.28Å; L357-F453 HydrophobicContact CB-CE2 4.02Å; L357-F453 HydrophobicContact CB-CZ 4.03Å; L361-F453 HydrophobicContact CB-CE1 4.28Å; L361-F453 HydrophobicContact CB-CZ 4.41Å; L361-F453 HydrophobicContact CD2-CD1 3.69Å; L361-F453 HydrophobicContact CD2-CE1 3.3Å; L361-F453 HydrophobicContact CD2-CZ 4.17Å; L361-F453 HydrophobicContact CG-CE1 4.4Å; L445-F453 HydrophobicContact CD1-CD1 4.23Å; L445-F453 HydrophobicContact CD1-CE1 4.26Å; L445-F453 HydrophobicContact CD2-CE1 4.46Å; D450-F453 WeakPolarHBondContact O-CB 3.49Å; D450-F453 PolarHBondContact O-N 3.24Å; D450-F453 WeakPolarHBondContact OD1-CB 3.5Å; D450-F453 PolarHBondContact OD1-N 2.77Å; E451-F453 PolarHBondContact O-N 3.46Å; F453-F456 WeakPolarHBondContact O-CB 3.32Å; F453-F456 PolarHBondContact O-N 2.64Å; F453-L457 HydrophobicContact CD1-CD1 4Å; F453-L457 HydrophobicContact CD1-CG 4.29Å; F453-L457 HydrophobicContact CD2-CG 4.41Å; F453-L457 HydrophobicContact CE1-CD1 3.37Å; F453-L457 HydrophobicContact CE1-CD2 4.46Å; F453-L457 HydrophobicContact CE1-CG 3.87Å; F453-L457 HydrophobicContact CE2-CD1 4.4Å; F453-L457 HydrophobicContact CE2-CD2 4.1Å; F453-L457 HydrophobicContact CE2-CG 4.05Å; F453-L457 HydrophobicContact CZ-CD1 3.64Å; F453-L457 HydrophobicContact CZ-CD2 3.89Å; F453-L457 HydrophobicContact CZ-CG 3.77Å; F453-L457 WeakPolarHBondContact O-CG 3.39Å; F453-L457 PolarHBondContact O-N 3.33Å; 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 3.42Å; F453-W479 VanDerWaalsContact CD2-CE2 3.42Å; F453-W479 HydrophobicContact CD2-CE3 4.29Å; F453-W479 AromaticContact CD2-CH2 3.71Å; F453-W479 HydrophobicContact CD2-CH2 3.71Å; F453-W479 AromaticContact CD2-CZ2 3.31Å; F453-W479 HydrophobicContact CD2-CZ2 3.31Å; F453-W479 HydrophobicContact CD2-CZ3 4.16Å; F453-W479 AromaticContact CD2-NE1 3.77Å; F453-W479 AromaticContact CE2-CH2 3.71Å; F453-W479 HydrophobicContact CE2-CH2 3.71Å; F453-W479 AromaticContact CE2-CZ2 3.68Å; F453-W479 HydrophobicContact CE2-CZ2 3.68Å; F453-W479 HydrophobicContact CE2-CZ3 4.3Å; F453-W479 HydrophobicContact CG-CZ2 4.32Å
454	V	98.6	Very high	97.5	Very high	25 Å²	25	46.8 Å²	46.8	15%	0.152	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-42.1	175.6	176.1	0	0	0	0	111.1	W441 L445 D450 E451 L457 K458	W441-V454 HydrophobicContact CB-CG1 4.11Å; W441-V454 HydrophobicContact CD2-CG1 4.21Å; W441-V454 HydrophobicContact CE3-CG1 4.43Å; W441-V454 HydrophobicContact CG-CG1 4.07Å; L445-V454 HydrophobicContact CD1-CG2 3.8Å; D450-V454 PolarHBondContact O-N 3.31Å; E451-V454 PolarHBondContact O-N 2.98Å; V454-L457 PolarHBondContact O-N 3.37Å; V454-K458 HydrophobicContact CG1-CD 4.15Å; V454-K458 HydrophobicContact CG1-CG 4.48Å; V454-K458 WeakPolarHBondContact O-CB 3.18Å; V454-K458 VanDerWaalsContact O-CG 3.31Å; V454-K458 WeakPolarHBondContact O-CG 3.4Å; V454-K458 PolarHBondContact O-N 3.06Å
455	D	98.6	Very high	97.5	Very high	51 Å²	51	47.9 Å²	47.9	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-59.5	-46.7	171.6	-176.5	33	0	0	0	111.3	E451 L457 K458 R459 H477	E451-D455 PolarHBondContact O-N 3.18Å; D455-L457 PolarHBondContact O-N 3.42Å; D455-K458 PolarHBondContact O-N 3.36Å; D455-R459 VanDerWaalsContact CG-NE 3.28Å; D455-R459 VanDerWaalsContact O-CG 3.27Å; D455-R459 WeakPolarHBondContact O-CG 3.47Å; D455-R459 PolarHBondContact O-N 3.38Å; D455-R459 IonicContact OD1-CZ 3.23Å; D455-R459 IonicContact OD1-NE 3.48Å; D455-R459 PolarHBondContact OD1-NE 2.87Å; D455-R459 IonicContact OD1-NH2 2.69Å; D455-R459 PolarHBondContact OD1-NH2 3.17Å; D455-R459 VanDerWaalsContact OD1-NH2 3.12Å; D455-R459 IonicContact OD2-CZ 3.37Å; D455-R459 IonicContact OD2-NE 2.7Å; D455-R459 PolarHBondContact OD2-NE 2.95Å; D455-R459 IonicContact OD2-NH2 2.75Å; D455-R459 PolarHBondContact OD2-NH2 3.19Å; D455-H477 IonicContact OD2-CE1 3.43Å; D455-H477 PolarHBondContact OD2-CE1 3.12Å; D455-H477 IonicContact OD2-NE2 2.69Å; D455-H477 PolarHBondContact OD2-NE2 3.43Å; D455-H477 VanDerWaalsContact OD2-NE2 3.16Å
456	F	98.8	Very high	97.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-46.3	176.3	-173	-81.3	0	0	0	112.2	L278 L357 L452 F453 R459 C460 M469 A474 H477 W479 L480	L278-F456 HydrophobicContact CD1-CZ 4.16Å; L357-F456 HydrophobicContact CD1-CD1 4.15Å; L357-F456 HydrophobicContact CD1-CE1 3.55Å; L357-F456 HydrophobicContact CD1-CZ 4.42Å; L452-F456 WeakPolarHBondContact O-CB 3.36Å; L452-F456 PolarHBondContact O-N 3.34Å; F453-F456 WeakPolarHBondContact O-CB 3.32Å; F453-F456 PolarHBondContact O-N 2.64Å; F456-R459 PolarHBondContact O-N 3.04Å; F456-C460 VanDerWaalsContact CE1-SG 3.51Å; F456-C460 PolarHBondContact O-N 2.88Å; F456-M469 HydrophobicContact CD1-CE 4.17Å; F456-M469 HydrophobicContact CD2-CE 3.66Å; F456-M469 HydrophobicContact CE1-CE 4.1Å; F456-M469 HydrophobicContact CE2-CE 3.62Å; F456-M469 HydrophobicContact CE2-SD 4.48Å; F456-M469 HydrophobicContact CG-CE 3.95Å; F456-M469 HydrophobicContact CZ-CE 3.83Å; F456-M469 WeakPolarHBondContact O-CE 3.43Å; F456-A474 HydrophobicContact CE2-CB 3.75Å; F456-A474 HydrophobicContact CZ-CB 3.86Å; F456-H477 HydrophobicContact CD2-CB 3.84Å; F456-H477 AromaticContact CD2-CG 3.68Å; F456-H477 AromaticContact CD2-ND1 3.57Å; F456-H477 HydrophobicContact CE2-CB 4.14Å; F456-W479 HydrophobicContact CB-CB 4.3Å; F456-W479 HydrophobicContact CB-CD2 4.47Å; F456-W479 HydrophobicContact CB-CE3 4.12Å; F456-W479 AromaticContact CD1-CE3 3.97Å; F456-W479 HydrophobicContact CD1-CE3 3.97Å; F456-W479 HydrophobicContact CD1-CZ3 4.02Å; F456-W479 AromaticContact CD2-CE3 3.65Å; F456-W479 HydrophobicContact CD2-CE3 3.65Å; F456-W479 HydrophobicContact CD2-CZ3 4.33Å; F456-W479 HydrophobicContact CE1-CE3 4.33Å; F456-W479 HydrophobicContact CE1-CZ3 4.09Å; F456-W479 HydrophobicContact CE2-CE3 4.01Å; F456-W479 HydrophobicContact CE2-CZ3 4.36Å; F456-W479 HydrophobicContact CG-CD2 4.43Å; F456-W479 AromaticContact CG-CE3 3.63Å; F456-W479 HydrophobicContact CG-CE3 3.63Å; F456-W479 HydrophobicContact CG-CZ3 4.16Å; F456-W479 HydrophobicContact CZ-CE3 4.35Å; F456-W479 HydrophobicContact CZ-CZ3 4.26Å; F456-L480 HydrophobicContact CE2-CD1 4.13Å; F456-L480 HydrophobicContact CE2-CG 4.19Å
457	L	98.8	Very high	97.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-43.9	178.7	-74.9	-171.4	0	0	0	112.5	G354 L357 A358 W441 L445 F453 V454 D455 R459 C460 L461	G354-L457 VanDerWaalsContact O-CD2 3.24Å; G354-L457 WeakPolarHBondContact O-CD2 3.1Å; L357-L457 HydrophobicContact CB-CD2 4.08Å; A358-L457 HydrophobicContact CB-CD1 3.95Å; W441-L457 HydrophobicContact CH2-CB 4.3Å; W441-L457 HydrophobicContact CZ3-CB 3.87Å; W441-L457 HydrophobicContact CZ3-CD1 4.15Å; L445-L457 HydrophobicContact CD1-CD1 3.96Å; L445-L457 HydrophobicContact CD2-CD1 3.85Å; F453-L457 HydrophobicContact CD1-CD1 4Å; F453-L457 HydrophobicContact CD1-CG 4.29Å; F453-L457 HydrophobicContact CD2-CG 4.41Å; F453-L457 HydrophobicContact CE1-CD1 3.37Å; F453-L457 HydrophobicContact CE1-CD2 4.46Å; F453-L457 HydrophobicContact CE1-CG 3.87Å; F453-L457 HydrophobicContact CE2-CD1 4.4Å; F453-L457 HydrophobicContact CE2-CD2 4.1Å; F453-L457 HydrophobicContact CE2-CG 4.05Å; F453-L457 HydrophobicContact CZ-CD1 3.64Å; F453-L457 HydrophobicContact CZ-CD2 3.89Å; F453-L457 HydrophobicContact CZ-CG 3.77Å; F453-L457 WeakPolarHBondContact O-CG 3.39Å; F453-L457 PolarHBondContact O-N 3.33Å; V454-L457 PolarHBondContact O-N 3.37Å; D455-L457 PolarHBondContact O-N 3.42Å; L457-R459 VanDerWaalsContact C-N 3.26Å; L457-R459 PolarHBondContact O-N 3.16Å; L457-C460 PolarHBondContact O-N 3.48Å; L457-C460 VanDerWaalsContact O-N 3.16Å; L457-L461 WeakPolarHBondContact O-CB 3.31Å; L457-L461 WeakPolarHBondContact O-CG 3.47Å; L457-L461 PolarHBondContact O-N 3.37Å
458	K	98.8	Very high	97.5	Very high	107 Å²	107	48.4 Å²	48.4	47%	0.465	24%	0.243	S	C	.	.	H	α-helix	trans	-56.9	-41.5	175.7	-77.9	174.5	174.8	-176.4	0	111.6	W441 V454 D455 L461 D462	W441-K458 HydrophobicContact CD2-CG 4.42Å; W441-K458 HydrophobicContact CH2-CG 4.1Å; W441-K458 HydrophobicContact CZ2-CG 3.53Å; V454-K458 HydrophobicContact CG1-CD 4.15Å; V454-K458 HydrophobicContact CG1-CG 4.48Å; V454-K458 WeakPolarHBondContact O-CB 3.18Å; V454-K458 VanDerWaalsContact O-CG 3.31Å; V454-K458 WeakPolarHBondContact O-CG 3.4Å; V454-K458 PolarHBondContact O-N 3.06Å; D455-K458 PolarHBondContact O-N 3.36Å; K458-L461 CarbonylContact O-C 3.35Å; K458-L461 PolarHBondContact O-N 2.92Å; K458-D462 PolarHBondContact O-N 3.43Å; K458-D462 VanDerWaalsContact O-N 3.16Å
459	R	98.8	Very high	97.6	Very high	120 Å²	120	45.8 Å²	45.8	45%	0.453	23%	0.23	S	C	.	.	H	α-helix	trans	-70.4	-31.2	177	-69.4	173.4	-166.6	-104.8	4.4	114.1	D455 F456 L457 R468 M469 H477	D455-R459 VanDerWaalsContact CG-NE 3.28Å; D455-R459 VanDerWaalsContact O-CG 3.27Å; D455-R459 WeakPolarHBondContact O-CG 3.47Å; D455-R459 PolarHBondContact O-N 3.38Å; D455-R459 IonicContact OD1-CZ 3.23Å; D455-R459 IonicContact OD1-NE 3.48Å; D455-R459 PolarHBondContact OD1-NE 2.87Å; D455-R459 IonicContact OD1-NH2 2.69Å; D455-R459 PolarHBondContact OD1-NH2 3.17Å; D455-R459 VanDerWaalsContact OD1-NH2 3.12Å; D455-R459 IonicContact OD2-CZ 3.37Å; D455-R459 IonicContact OD2-NE 2.7Å; D455-R459 PolarHBondContact OD2-NE 2.95Å; D455-R459 IonicContact OD2-NH2 2.75Å; D455-R459 PolarHBondContact OD2-NH2 3.19Å; F456-R459 PolarHBondContact O-N 3.04Å; L457-R459 VanDerWaalsContact C-N 3.26Å; L457-R459 PolarHBondContact O-N 3.16Å; R459-R468 WeakPolarHBondContact O-CG 3.11Å; R459-M469 HydrophobicContact CB-CB 3.81Å; R459-M469 HydrophobicContact CB-CE 3.77Å; R459-M469 HydrophobicContact CB-SD 3.97Å; R459-M469 WeakPolarHBondContact O-CB 3.45Å; R459-M469 PolarHBondContact O-N 3.24Å; R459-H477 WeakPolarHBondContact CD-NE2 3.49Å; R459-H477 PolarHBondContact NE-NE2 2.99Å
460	C	98.9	Very high	97.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-73.4	-29.4	170.3	-78	0	0	0	0	112.6	W351 F456 L457 R468 M469	W351-C460 WeakPolarHBondContact CA-O 3.46Å; F456-C460 VanDerWaalsContact CE1-SG 3.51Å; F456-C460 PolarHBondContact O-N 2.88Å; L457-C460 PolarHBondContact O-N 3.48Å; L457-C460 VanDerWaalsContact O-N 3.16Å; C460-R468 WeakPolarHBondContact O-CD 3.46Å; C460-R468 WeakPolarHBondContact O-CG 3.29Å; C460-M469 VanDerWaalsContact SG-CE 3.55Å
461	L	98.8	Very high	98.1	Very high	4 Å²	4	45 Å²	45	2%	0.021	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	29.8	-174.7	-60.4	171.9	0	0	0	111.9	W351 L366 L383 W441 L457 K458	W351-L461 HydrophobicContact CD2-CD2 3.54Å; W351-L461 HydrophobicContact CE3-CB 4.26Å; W351-L461 HydrophobicContact CE3-CD2 3.76Å; W351-L461 HydrophobicContact CG-CD2 3.98Å; W351-L461 HydrophobicContact CH2-CB 4.41Å; W351-L461 HydrophobicContact CH2-CD2 4.21Å; W351-L461 HydrophobicContact CZ2-CD2 4.01Å; W351-L461 HydrophobicContact CZ3-CB 4.03Å; W351-L461 HydrophobicContact CZ3-CD2 4.1Å; W351-L461 WeakPolarHBondContact CZ3-O 3.3Å; L366-L461 HydrophobicContact CD2-CD1 3.63Å; L383-L461 HydrophobicContact CD1-CB 4.41Å; L383-L461 WeakPolarHBondContact CD1-O 3.4Å; W441-L461 HydrophobicContact CH2-CD1 3.91Å; W441-L461 HydrophobicContact CZ3-CD1 4.38Å; L457-L461 WeakPolarHBondContact O-CB 3.31Å; L457-L461 WeakPolarHBondContact O-CG 3.47Å; L457-L461 PolarHBondContact O-N 3.37Å; K458-L461 CarbonylContact O-C 3.35Å; K458-L461 PolarHBondContact O-N 2.92Å
462	D	98.4	Very high	98.2	Very high	52 Å²	52	38.4 Å²	38.4	28%	0.278	20%	0.196	S	C	.	.			trans	-66.2	140.6	171.6	-163.2	-15.8	0	0	0	110.3	K458 D464 T467 R468	K458-D462 PolarHBondContact O-N 3.43Å; K458-D462 VanDerWaalsContact O-N 3.16Å; D462-D464 PolarHBondContact OD1-N 2.85Å; D462-T467 VanDerWaalsContact CG-OG1 3.29Å; D462-T467 WeakPolarHBondContact OD2-CB 3.27Å; D462-T467 PolarHBondContact OD2-OG1 2.96Å; D462-R468 HydrophobicContact CB-CB 4Å; D462-R468 HydrophobicContact CB-CG 4.18Å; D462-R468 VanDerWaalsContact O-CZ 3.28Å; D462-R468 PolarHBondContact O-NE 3.36Å; D462-R468 PolarHBondContact O-NH2 2.85Å
463	W	97.9	Very high	98.2	Very high	20 Å²	20	41.7 Å²	41.7	8%	0.076	21%	0.211	C	C	.	.	S	Bend	trans	-66.4	-41.8	178.5	-83.7	110.3	0	0	0	112	P336 L340 L376 I379 I380 G384 P386 P387 P465	P336-W463 HydrophobicContact CB-CE3 3.6Å; P336-W463 HydrophobicContact CB-CZ3 3.42Å; P336-W463 VanDerWaalsContact CB-CZ3 3.42Å; P336-W463 HydrophobicContact CG-CE3 3.81Å; P336-W463 HydrophobicContact CG-CZ3 4.14Å; L340-W463 HydrophobicContact CD1-CZ3 4.36Å; L376-W463 HydrophobicContact CD1-CH2 3.72Å; L376-W463 HydrophobicContact CD1-CZ3 3.87Å; I379-W463 HydrophobicContact CB-CH2 4.28Å; I379-W463 HydrophobicContact CG2-CH2 3.44Å; I379-W463 VanDerWaalsContact CG2-CH2 3.44Å; I379-W463 HydrophobicContact CG2-CZ2 3.5Å; I379-W463 VanDerWaalsContact CG2-CZ2 3.5Å; I379-W463 HydrophobicContact CG2-CZ3 4.02Å; I380-W463 HydrophobicContact CG1-CH2 3.79Å; I380-W463 HydrophobicContact CG1-CZ2 3.83Å; G384-W463 VanDerWaalsContact O-CZ2 3.29Å; G384-W463 WeakPolarHBondContact O-CZ2 3.41Å; G384-W463 PolarHBondContact O-NE1 3.39Å; P386-W463 HydrophobicContact CB-CD2 3.92Å; P386-W463 HydrophobicContact CB-CE3 3.71Å; P386-W463 HydrophobicContact CB-CH2 4.01Å; P386-W463 HydrophobicContact CB-CZ2 4.21Å; P386-W463 HydrophobicContact CB-CZ3 3.76Å; P386-W463 HydrophobicContact CG-CH2 4.17Å; P386-W463 HydrophobicContact CG-CZ2 4.47Å; P386-W463 HydrophobicContact CG-CZ3 4.29Å; P387-W463 HydrophobicContact CG-CB 4.19Å; W463-P465 WeakPolarHBondContact O-CD 3.21Å
464	D	96.6	Very high	98.2	Very high	20 Å²	20	41.7 Å²	41.7	11%	0.107	21%	0.211	C	C	.	.	S	Bend	trans	-85.9	115.9	179.7	-170.1	-20	0	0	0	109.7	K389 D462 E466 T467 R468	K389-D464 IonicContact NZ-OD2 3.09Å; K389-D464 PolarHBondContact NZ-OD2 2.84Å; D462-D464 PolarHBondContact OD1-N 2.85Å; D464-E466 PolarHBondContact O-N 3.03Å; D464-E466 WeakPolarHBondContact OD1-CB 3.2Å; D464-E466 PolarHBondContact OD1-N 2.93Å; D464-T467 PolarHBondContact O-N 3.41Å; D464-T467 PolarHBondContact O-OG1 2.91Å; D464-R468 WeakPolarHBondContact O-CB 3.48Å; D464-R468 PolarHBondContact O-N 3.28Å
465	P	97.1	Very high	98.1	Very high	31 Å²	31	42.4 Å²	42.4	20%	0.201	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.2	178.7	27.9	-35.5	0	0	0	113.5	P347 W463	P347-P465 HydrophobicContact CB-CB 3.76Å; P347-P465 HydrophobicContact CG-CB 4.07Å; P347-P465 VanDerWaalsContact CG-O 3.24Å; P347-P465 WeakPolarHBondContact CG-O 3.46Å; W463-P465 WeakPolarHBondContact O-CD 3.21Å
466	E	95.6	Very high	98.1	Very high	153 Å²	153	47.5 Å²	47.5	72%	0.715	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-31	176	-59.7	-176.8	153.2	0	0	112.5	K389 D464	K389-E466 IonicContact NZ-OE2 3.72Å; K389-E466 PolarHBondContact NZ-OE2 3.45Å; D464-E466 PolarHBondContact O-N 3.03Å; D464-E466 WeakPolarHBondContact OD1-CB 3.2Å; D464-E466 PolarHBondContact OD1-N 2.93Å
467	T	96.7	Very high	98	Very high	88 Å²	88	48.2 Å²	48.2	54%	0.54	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-19.4	177.7	56.2	0	0	0	0	113.2	D462 D464 M469	D462-T467 VanDerWaalsContact CG-OG1 3.29Å; D462-T467 WeakPolarHBondContact OD2-CB 3.27Å; D462-T467 PolarHBondContact OD2-OG1 2.96Å; D464-T467 PolarHBondContact O-N 3.41Å; D464-T467 PolarHBondContact O-OG1 2.91Å; T467-M469 PolarHBondContact O-N 3.25Å
468	R	98.5	Very high	97.9	Very high	6 Å²	6	55.6 Å²	55.6	2%	0.023	27%	0.269	C	S	.	.	S	Bend	trans	-53.7	134.5	176.6	-166.3	-178.4	-64.3	149.6	9.3	111.8	E337 P347 R459 C460 D462 D464 T470	E337-R468 IonicContact OE1-CZ 2.66Å; E337-R468 IonicContact OE1-NH1 2.72Å; E337-R468 PolarHBondContact OE1-NH1 3.24Å; E337-R468 IonicContact OE1-NH2 3.38Å; E337-R468 PolarHBondContact OE1-NH2 3.18Å; E337-R468 IonicContact OE2-CZ 3.77Å; E337-R468 IonicContact OE2-NH1 2.87Å; E337-R468 PolarHBondContact OE2-NH1 3.09Å; E337-R468 IonicContact OE2-NH2 3.16Å; E337-R468 PolarHBondContact OE2-NH2 3.42Å; P347-R468 WeakPolarHBondContact O-CD 3.38Å; P347-R468 PolarHBondContact O-NH1 3.03Å; R459-R468 WeakPolarHBondContact O-CG 3.11Å; C460-R468 WeakPolarHBondContact O-CD 3.46Å; C460-R468 WeakPolarHBondContact O-CG 3.29Å; D462-R468 HydrophobicContact CB-CB 4Å; D462-R468 HydrophobicContact CB-CG 4.18Å; D462-R468 VanDerWaalsContact O-CZ 3.28Å; D462-R468 PolarHBondContact O-NE 3.36Å; D462-R468 PolarHBondContact O-NH2 2.85Å; D464-R468 WeakPolarHBondContact O-CB 3.48Å; D464-R468 PolarHBondContact O-N 3.28Å; R468-T470 PolarHBondContact O-N 3Å
469	M	98.7	Very high	97.8	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.054	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-61.6	126.1	-174.7	174.8	173.1	65.7	0	0	112.6	M350 F456 R459 C460 T467 Q473 A474	M350-M469 HydrophobicContact CE-CE 4.5Å; M350-M469 HydrophobicContact CE-CG 4.48Å; M350-M469 WeakPolarHBondContact CE-O 3.31Å; M350-M469 WeakPolarHBondContact CG-O 3.38Å; F456-M469 HydrophobicContact CD1-CE 4.17Å; F456-M469 HydrophobicContact CD2-CE 3.66Å; F456-M469 HydrophobicContact CE1-CE 4.1Å; F456-M469 HydrophobicContact CE2-CE 3.62Å; F456-M469 HydrophobicContact CE2-SD 4.48Å; F456-M469 HydrophobicContact CG-CE 3.95Å; F456-M469 HydrophobicContact CZ-CE 3.83Å; F456-M469 WeakPolarHBondContact O-CE 3.43Å; R459-M469 HydrophobicContact CB-CB 3.81Å; R459-M469 HydrophobicContact CB-CE 3.77Å; R459-M469 HydrophobicContact CB-SD 3.97Å; R459-M469 WeakPolarHBondContact O-CB 3.45Å; R459-M469 PolarHBondContact O-N 3.24Å; C460-M469 VanDerWaalsContact SG-CE 3.55Å; T467-M469 PolarHBondContact O-N 3.25Å; M469-Q473 HydrophobicContact CG-CB 3.81Å; M469-A474 HydrophobicContact CE-CB 3.92Å; M469-A474 HydrophobicContact CG-CB 4.01Å; M469-A474 HydrophobicContact SD-CB 3.92Å
470	T	98.9	Very high	97.6	Very high	41 Å²	41	45.9 Å²	45.9	25%	0.252	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-75.2	161.6	174	61.7	0	0	0	0	112.4	R468 A472 Q473 A474	R468-T470 PolarHBondContact O-N 3Å; T470-A472 VanDerWaalsContact C-N 3.32Å; T470-A472 PolarHBondContact O-N 2.85Å; T470-Q473 PolarHBondContact O-N 3.01Å; T470-Q473 VanDerWaalsContact OG1-CG 3.31Å; T470-Q473 WeakPolarHBondContact OG1-CG 3.41Å; T470-Q473 PolarHBondContact OG1-N 2.8Å; T470-Q473 PolarHBondContact OG1-OE1 3.23Å; T470-A474 WeakPolarHBondContact O-CB 3.49Å; T470-A474 PolarHBondContact O-N 3.12Å
471	P	98.7	Very high	97	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.032	26%	0.264	C	S	.	.	H	α-helix	trans	-57.4	-41.4	176.3	-24.1	34.7	0	0	0	113.3	L278 L281 D282 Q285 M350 Q473 A474 L475	L278-P471 HydrophobicContact CD2-CB 3.95Å; L281-P471 HydrophobicContact CB-CB 4.06Å; L281-P471 HydrophobicContact CB-CG 3.68Å; D282-P471 HydrophobicContact CB-CB 3.95Å; Q285-P471 HydrophobicContact CB-CG 4.49Å; M350-P471 HydrophobicContact CG-CG 4.18Å; M350-P471 HydrophobicContact SD-CB 4.33Å; M350-P471 HydrophobicContact SD-CG 3.75Å; P471-Q473 VanDerWaalsContact C-N 3.34Å; P471-Q473 PolarHBondContact O-N 3.29Å; P471-A474 WeakPolarHBondContact O-CB 3.2Å; P471-A474 PolarHBondContact O-N 3.14Å; P471-L475 WeakPolarHBondContact O-CG 3.16Å; P471-L475 PolarHBondContact O-N 3.48Å
472	A	98.2	Very high	95.8	Very high	33 Å²	33	61.6 Å²	61.6	27%	0.273	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-34.1	178	0	0	0	0	0	113.4	T470 K476	T470-A472 VanDerWaalsContact C-N 3.32Å; T470-A472 PolarHBondContact O-N 2.85Å; A472-K476 WeakPolarHBondContact O-CD 3.18Å; A472-K476 WeakPolarHBondContact O-CG 3.35Å
473	Q	98.4	Very high	93.7	Very high	109 Å²	109	69 Å²	69	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-73.9	-41.8	171.6	-72.8	161	-32.1	0	0	111	M469 T470 P471 L475 K476 H477	M469-Q473 HydrophobicContact CG-CB 3.81Å; T470-Q473 PolarHBondContact O-N 3.01Å; T470-Q473 VanDerWaalsContact OG1-CG 3.31Å; T470-Q473 WeakPolarHBondContact OG1-CG 3.41Å; T470-Q473 PolarHBondContact OG1-N 2.8Å; T470-Q473 PolarHBondContact OG1-OE1 3.23Å; P471-Q473 VanDerWaalsContact C-N 3.34Å; P471-Q473 PolarHBondContact O-N 3.29Å; Q473-L475 PolarHBondContact O-N 3.29Å; Q473-K476 CarbonylContact O-C 3.54Å; Q473-K476 WeakPolarHBondContact O-CA 3.45Å; Q473-K476 PolarHBondContact O-N 3.16Å; Q473-H477 PolarHBondContact O-N 3.41Å; Q473-H477 VanDerWaalsContact O-N 3.14Å
474	A	98.5	Very high	91.5	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.9	-45.1	178.3	0	0	0	0	0	112.4	L278 M350 F456 M469 T470 P471 K476 H477 L480	L278-A474 HydrophobicContact CD1-CB 3.83Å; L278-A474 HydrophobicContact CD2-CB 3.63Å; L278-A474 HydrophobicContact CG-CB 4.41Å; M350-A474 HydrophobicContact CE-CB 3.7Å; F456-A474 HydrophobicContact CE2-CB 3.75Å; F456-A474 HydrophobicContact CZ-CB 3.86Å; M469-A474 HydrophobicContact CE-CB 3.92Å; M469-A474 HydrophobicContact CG-CB 4.01Å; M469-A474 HydrophobicContact SD-CB 3.92Å; T470-A474 WeakPolarHBondContact O-CB 3.49Å; T470-A474 PolarHBondContact O-N 3.12Å; P471-A474 WeakPolarHBondContact O-CB 3.2Å; P471-A474 PolarHBondContact O-N 3.14Å; A474-K476 PolarHBondContact O-N 3.04Å; A474-K476 VanDerWaalsContact O-N 3.17Å; A474-H477 WeakPolarHBondContact O-CB 3.36Å; A474-H477 PolarHBondContact O-N 2.89Å; A474-L480 VanDerWaalsContact O-CD1 3.29Å; A474-L480 WeakPolarHBondContact O-CD1 3.45Å
475	L	97.5	Very high	89	Confident	40 Å²	40	77.5 Å²	77.5	21%	0.209	37%	0.366	C	S	.	.	H	α-helix	trans	-57.3	-27.7	173.7	-74.1	169.2	0	0	0	113.1	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 3.71Å; L278-L475 HydrophobicContact CB-CG 3.98Å; L278-L475 HydrophobicContact CD1-CD2 4.24Å; L278-L475 HydrophobicContact CD1-CG 4.42Å; L279-L475 HydrophobicContact CD2-CD2 4.47Å; D282-L475 HydrophobicContact CB-CD1 4.1Å; P471-L475 WeakPolarHBondContact O-CG 3.16Å; P471-L475 PolarHBondContact O-N 3.48Å; Q473-L475 PolarHBondContact O-N 3.29Å
476	K	96.9	Very high	86.3	Confident	158 Å²	158	81 Å²	81	69%	0.687	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.9	177.2	-64.7	172.6	-175.1	177.1	0	113.4	A472 Q473 A474 R481	A472-K476 WeakPolarHBondContact O-CD 3.18Å; A472-K476 WeakPolarHBondContact O-CG 3.35Å; Q473-K476 CarbonylContact O-C 3.54Å; Q473-K476 WeakPolarHBondContact O-CA 3.45Å; Q473-K476 PolarHBondContact O-N 3.16Å; A474-K476 PolarHBondContact O-N 3.04Å; A474-K476 VanDerWaalsContact O-N 3.17Å; K476-R481 WeakPolarHBondContact O-CD 3.48Å
477	H	98.1	Very high	83.7	Confident	15 Å²	15	78.9 Å²	78.9	7%	0.069	38%	0.383	C	S	.	.	S	Bend	trans	-64.9	144.6	-174.6	-163.5	-98.2	0	0	0	113	D455 F456 R459 Q473 A474 W479 L480 R481	D455-H477 IonicContact OD2-CE1 3.43Å; D455-H477 PolarHBondContact OD2-CE1 3.12Å; D455-H477 IonicContact OD2-NE2 2.69Å; D455-H477 PolarHBondContact OD2-NE2 3.43Å; D455-H477 VanDerWaalsContact OD2-NE2 3.16Å; F456-H477 HydrophobicContact CD2-CB 3.84Å; F456-H477 AromaticContact CD2-CG 3.68Å; F456-H477 AromaticContact CD2-ND1 3.57Å; F456-H477 HydrophobicContact CE2-CB 4.14Å; R459-H477 WeakPolarHBondContact CD-NE2 3.49Å; R459-H477 PolarHBondContact NE-NE2 2.99Å; Q473-H477 PolarHBondContact O-N 3.41Å; Q473-H477 VanDerWaalsContact O-N 3.14Å; A474-H477 WeakPolarHBondContact O-CB 3.36Å; A474-H477 PolarHBondContact O-N 2.89Å; H477-W479 WeakPolarHBondContact ND1-CB 3.48Å; H477-W479 PolarHBondContact ND1-N 3.16Å; H477-W479 PolarHBondContact O-N 3.02Å; H477-W479 VanDerWaalsContact O-N 3.16Å; H477-L480 PolarHBondContact O-N 2.89Å; H477-R481 PolarHBondContact O-N 3.02Å
478	K	96.3	Very high	81.3	Confident	155 Å²	155	80.2 Å²	80.2	67%	0.674	39%	0.393	S	S	*	.	H	α-helix	trans	-53.8	-38.5	-178.8	-69.2	-178.3	-179.6	177.7	0	112.7	L452 L480 R481 R482	L452-K478 HydrophobicContact CD1-CB 4.49Å; L452-K478 HydrophobicContact CD2-CB 4.02Å; L452-K478 HydrophobicContact CD2-CD 4.4Å; K478-L480 PolarHBondContact O-N 2.79Å; K478-R481 PolarHBondContact O-N 3.28Å; K478-R482 PolarHBondContact O-N 3.48Å; K478-R482 VanDerWaalsContact O-N 3.12Å
479	W	97	Very high	78.7	Confident	0 Å²	0	91.2 Å²	91.2	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-59.9	-38	177.3	-179.4	68.5	0	0	0	114	V270 R271 A274 L357 L452 F453 F456 H477	V270-W479 HydrophobicContact CG1-CH2 4.17Å; V270-W479 HydrophobicContact CG1-CZ2 4.33Å; R271-W479 HydrophobicContact CB-CH2 4.22Å; R271-W479 HydrophobicContact CB-CZ2 3.89Å; R271-W479 PolarHBondContact NE-O 3.21Å; R271-W479 VanDerWaalsContact NH2-NE1 3.15Å; A274-W479 HydrophobicContact CB-CH2 3.69Å; A274-W479 HydrophobicContact CB-CZ3 3.57Å; L357-W479 HydrophobicContact CD1-CH2 4.33Å; L357-W479 HydrophobicContact CD1-CZ3 4.16Å; L452-W479 HydrophobicContact CB-CB 3.94Å; L452-W479 HydrophobicContact CB-CG 4.42Å; L452-W479 WeakPolarHBondContact O-CB 3.37Å; 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 3.42Å; F453-W479 VanDerWaalsContact CD2-CE2 3.42Å; F453-W479 HydrophobicContact CD2-CE3 4.29Å; F453-W479 AromaticContact CD2-CH2 3.71Å; F453-W479 HydrophobicContact CD2-CH2 3.71Å; F453-W479 AromaticContact CD2-CZ2 3.31Å; F453-W479 HydrophobicContact CD2-CZ2 3.31Å; F453-W479 HydrophobicContact CD2-CZ3 4.16Å; F453-W479 AromaticContact CD2-NE1 3.77Å; F453-W479 AromaticContact CE2-CH2 3.71Å; F453-W479 HydrophobicContact CE2-CH2 3.71Å; F453-W479 AromaticContact CE2-CZ2 3.68Å; F453-W479 HydrophobicContact CE2-CZ2 3.68Å; F453-W479 HydrophobicContact CE2-CZ3 4.3Å; F453-W479 HydrophobicContact CG-CZ2 4.32Å; F456-W479 HydrophobicContact CB-CB 4.3Å; F456-W479 HydrophobicContact CB-CD2 4.47Å; F456-W479 HydrophobicContact CB-CE3 4.12Å; F456-W479 AromaticContact CD1-CE3 3.97Å; F456-W479 HydrophobicContact CD1-CE3 3.97Å; F456-W479 HydrophobicContact CD1-CZ3 4.02Å; F456-W479 AromaticContact CD2-CE3 3.65Å; F456-W479 HydrophobicContact CD2-CE3 3.65Å; F456-W479 HydrophobicContact CD2-CZ3 4.33Å; F456-W479 HydrophobicContact CE1-CE3 4.33Å; F456-W479 HydrophobicContact CE1-CZ3 4.09Å; F456-W479 HydrophobicContact CE2-CE3 4.01Å; F456-W479 HydrophobicContact CE2-CZ3 4.36Å; F456-W479 HydrophobicContact CG-CD2 4.43Å; F456-W479 AromaticContact CG-CE3 3.63Å; F456-W479 HydrophobicContact CG-CE3 3.63Å; F456-W479 HydrophobicContact CG-CZ3 4.16Å; F456-W479 HydrophobicContact CZ-CE3 4.35Å; F456-W479 HydrophobicContact CZ-CZ3 4.26Å; H477-W479 WeakPolarHBondContact ND1-CB 3.48Å; H477-W479 PolarHBondContact ND1-N 3.16Å; H477-W479 PolarHBondContact O-N 3.02Å; H477-W479 VanDerWaalsContact O-N 3.16Å
480	L	94.1	Very high	76.1	Confident	22 Å²	22	97.8 Å²	97.8	12%	0.115	47%	0.47	C	S	.	.	H	α-helix	trans	-84.2	-36.8	177.2	-64.8	-171.9	0	0	0	112.2	R271 A274 L278 F456 A474 H477 K478 R482	R271-L480 HydrophobicContact CG-CD2 3.75Å; A274-L480 HydrophobicContact CB-CD2 4.05Å; L278-L480 HydrophobicContact CD1-CD1 3.32Å; F456-L480 HydrophobicContact CE2-CD1 4.13Å; F456-L480 HydrophobicContact CE2-CG 4.19Å; A474-L480 VanDerWaalsContact O-CD1 3.29Å; A474-L480 WeakPolarHBondContact O-CD1 3.45Å; H477-L480 PolarHBondContact O-N 2.89Å; K478-L480 PolarHBondContact O-N 2.79Å; L480-R482 PolarHBondContact O-N 3.37Å
481	R	86.6	Confident	73.5	Confident	188 Å²	188	99.4 Å²	99.4	71%	0.709	49%	0.494	S	S	*	.	H	α-helix	trans	-72	-9.1	179.2	-65.7	-168.7	73.9	-172.4	4.4	114.3	K476 H477 K478 R483	K476-R481 WeakPolarHBondContact O-CD 3.48Å; H477-R481 PolarHBondContact O-N 3.02Å; K478-R481 PolarHBondContact O-N 3.28Å; R481-R483 PolarHBondContact O-N 2.99Å
482	R	73.4	Confident	70.7	Confident	147 Å²	147	107.5 Å²	107.5	56%	0.555	54%	0.537	S	S	*	.	S	Bend	trans	-62.8	100.2	174.1	-157.2	173.2	-168.4	171.9	6.1	108.6	D450 K478 L480 L484	D450-R482 IonicContact OD2-NH1 2.99Å; D450-R482 PolarHBondContact OD2-NH1 3.23Å; K478-R482 PolarHBondContact O-N 3.48Å; K478-R482 VanDerWaalsContact O-N 3.12Å; L480-R482 PolarHBondContact O-N 3.37Å; R482-L484 PolarHBondContact O-N 2.94Å
483	R	55.3	Low	67.9	Low	208 Å²	208	115.3 Å²	115.3	79%	0.785	57%	0.568	S	S	*	*			trans	-40.9	125.5	-166.6	-72.6	-175.8	179.1	171.5	-0.8	112.8	R481	R481-R483 PolarHBondContact O-N 2.99Å
484	L	51.3	Low	64.8	Low	100 Å²	100	115.4 Å²	115.4	52%	0.524	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-59.1	140.5	145	-70.5	168.2	0	0	0	106.8	R482 N486	R482-L484 PolarHBondContact O-N 2.94Å; L484-N486 PolarHBondContact O-N 3.26Å
485	P	42.8	Very low	61.7	Low	117 Å²	117	124.2 Å²	124.2	76%	0.76	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-51.9	132.4	178.1	-25.9	34.2	0	0	0	110.4
486	N	41.3	Very low	58.5	Low	106 Å²	106	126.4 Å²	126.4	57%	0.567	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-59.2	141.8	166.4	-70.7	-9.5	0	0	0	107.4	L484	L484-N486 PolarHBondContact O-N 3.26Å
487	P	39.9	Very low	55.4	Low	108 Å²	108	122.2 Å²	122.2	70%	0.701	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-55.7	150.4	161.5	27.2	-33.5	0	0	0	108.7	R489	P487-R489 PolarHBondContact O-N 3.23Å
488	P	46.2	Very low	52.2	Low	116 Å²	116	130.2 Å²	130.2	75%	0.753	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-50	130.4	172.1	-24.3	33.9	0	0	0	109.4	D490	P488-D490 PolarHBondContact O-N 3.2Å
489	R	45.7	Very low	49.2	Very low	237 Å²	237	126.7 Å²	126.7	89%	0.894	70%	0.7	S	S	*	*			trans	-76.8	102.2	164.8	-78.2	-175.9	167.3	-169	-6.8	105.9	P487 G491	P487-R489 PolarHBondContact O-N 3.23Å; R489-G491 PolarHBondContact O-N 3.29Å
490	D	43.7	Very low	46.1	Very low	148 Å²	148	133.7 Å²	133.7	79%	0.791	74%	0.737	S	S	*	*			trans	-56.2	127.4	164.4	-69	-38.7	0	0	0	107.9	P488 L492	P488-D490 PolarHBondContact O-N 3.2Å; D490-L492 PolarHBondContact O-N 3.07Å
491	G	43.5	Very low	43.2	Very low	75 Å²	75	141.5 Å²	141.5	77%	0.773	77%	0.772	S	S	*	*			trans	-70.4	104.4	-169.4	0	0	0	0	0	111.7	R489	R489-G491 PolarHBondContact O-N 3.29Å
492	L	39.2	Very low	40.6	Very low	176 Å²	176	138.8 Å²	138.8	92%	0.921	77%	0.768	S	S	*	*			trans	-108.2	70	159.9	-122.2	79.2	0	0	0	109.3	D490	D490-L492 PolarHBondContact O-N 3.07Å
493	E	40.1	Very low	38.5	Very low	197 Å²	197	139.4 Å²	139.4	92%	0.921	78%	0.775	S	S	*	*			trans	-102.7	101.4	159.5	-76.2	-171.8	170.2	0	0	108.3
494	S	34.2	Very low	37.4	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	78%	0.78	S	S	*	*			trans	-163.7	139.3	160.2	-164.6	0	0	0	0	111.7
495	M	33.5	Very low	36.2	Very low	186 Å²	186	141 Å²	141	92%	0.916	79%	0.794	S	S	*	*			trans	76.6	98.6	161.3	-60.7	-100.6	-93.8	0	0	118.9
496	G	30.4	Very low	35.7	Very low	86 Å²	86	144.8 Å²	144.8	89%	0.887	80%	0.802	S	S	*	*			trans	171.5	94.8	162.5	0	0	0	0	0	109.7
497	G	30.4	Very low	35.1	Very low	70 Å²	70	145.6 Å²	145.6	72%	0.722	81%	0.81	S	S	*	*			trans	-122.9	-172.4	-166.9	0	0	0	0	0	116.1
498	L	32.2	Very low	34.5	Very low	183 Å²	183	148.1 Å²	148.1	96%	0.958	82%	0.817	S	S	*	*			trans	72.8	127.9	176.4	-54.4	162.3	0	0	0	113.9
499	A	32.4	Very low	34.2	Very low	81 Å²	81	148 Å²	148	67%	0.669	82%	0.816	S	S	*	*			cis	-158.9	166	31.1	0	0	0	0	0	114.3
500	D	31.5	Very low	33.4	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	80%	0.804	S	S	*	*			trans	48.2	112.5	151.4	-52.9	-22.6	0	0	0	122.7
501	H	33.5	Very low	32.9	Very low	186 Å²	186	143.2 Å²	143.2	86%	0.861	81%	0.807	S	S	*	*				-163.9	164.6	99.9	-116.4	-81.9	0	0	0	113.7
502	E	31.5	Very low	32.2	Very low	132 Å²	132	145.5 Å²	145.5	62%	0.617	80%	0.801	S	S	*	*			trans	-84.9	163.8	-157.2	-52.4	-174.2	100.1	0	0	119.1
503	K	30.2	Very low	31.8	Very low	160 Å²	160	141.8 Å²	141.8	70%	0.696	79%	0.79	S	S	*	*			trans	60.2	112.3	142	-74.1	156.3	-174.6	153.8	0	119.2
504	K	30.9	Very low	31.3	Very low	209 Å²	209	139.6 Å²	139.6	91%	0.909	79%	0.785	S	S	*	*				-161.9	148.8	88	-103.6	177.4	-178.3	-178.4	0	112.9
505	T	28	Very low	31.1	Very low	131 Å²	131	138.1 Å²	138.1	80%	0.804	78%	0.779	S	S	*	*			trans	-89	141.5	-179.6	45.6	0	0	0	0	112.2
506	E	31.1	Very low	31.1	Very low	198 Å²	198	135.8 Å²	135.8	93%	0.925	77%	0.77	S	S	*	*			trans	-157.1	157.4	139	-117.7	164.3	-145.1	0	0	110.4
507	T	29.5	Very low	31.3	Very low	122 Å²	122	138.1 Å²	138.1	75%	0.748	76%	0.761	S	S	*	*			trans	-119.4	134	-152.2	47.2	0	0	0	0	114
508	L	26.5	Very low	31.4	Very low	162 Å²	162	142.1 Å²	142.1	85%	0.848	77%	0.765	S	S	*	*			trans	43.6	163.5	134.2	-69.6	170	0	0	0	121
509	P	40.5	Very low	31.3	Very low	112 Å²	112	140.9 Å²	140.9	73%	0.727	76%	0.756	S	S	*	*			cis	-130.7	156.6	3.5	28.7	-6.5	0	0	0	117.2
510	N	28.3	Very low	31.3	Very low	120 Å²	120	147.3 Å²	147.3	64%	0.642	76%	0.763	S	S	*	*				24.4	134.3	126.8	-149.3	30.7	0	0	0	121.6
511	I	32.8	Very low	31.4	Very low	166 Å²	166	149.9 Å²	149.9	85%	0.851	77%	0.768	S	S	*	*			trans	-152.8	133	135.6	-97.9	152.3	0	0	0	108.7
512	D	29.2	Very low	31.5	Very low	123 Å²	123	149.8 Å²	149.8	66%	0.658	77%	0.765	S	S	*	*			trans	-70.3	155.8	175.2	-73.6	-73.7	0	0	0	113.6
513	S	30.5	Very low	32.1	Very low	98 Å²	98	156.3 Å²	156.3	69%	0.685	79%	0.792	S	S	*	*				152.1	146.7	100.8	60.8	0	0	0	0	115.9
514	N	31	Very low	32.2	Very low	150 Å²	150	156.2 Å²	156.2	80%	0.802	80%	0.796	S	S	*	*			trans	66.4	93.6	150.1	-62	-26.6	0	0	0	120.9
515	A	30.1	Very low	32.3	Very low	79 Å²	79	153.4 Å²	153.4	65%	0.653	79%	0.79	S	S	*	*				11.3	130.1	119.3	0	0	0	0	0	119.1
516	N	31.8	Very low	32.5	Very low	137 Å²	137	154.6 Å²	154.6	73%	0.733	79%	0.79	S	S	*	*				178.8	133.3	100.8	-97.1	-35.6	0	0	0	115.6
517	I	34.9	Very low	32.6	Very low	136 Å²	136	152.1 Å²	152.1	70%	0.697	78%	0.782	S	S	*	*				68.2	141.4	128.2	-64.6	169	0	0	0	122
518	L	33	Very low	32.8	Very low	154 Å²	154	153.9 Å²	153.9	81%	0.806	78%	0.784	S	S	*	*			trans	81.7	108.2	162.1	-113.1	56.6	0	0	0	118.2
519	M	30.5	Very low	33.2	Very low	156 Å²	156	153.4 Å²	153.4	77%	0.768	78%	0.779	S	S	*	*				77.2	137.2	57.9	-96.3	-114.1	-147.8	0	0	116.6
520	R	32.8	Very low	32.7	Very low	216 Å²	216	156.4 Å²	156.4	82%	0.815	78%	0.783	S	S	*	*			trans	78.6	107.8	167.1	-63.6	167.2	-179.4	-171.7	-1.7	114.5
521	K	33.7	Very low	33.1	Very low	201 Å²	201	159.2 Å²	159.2	87%	0.874	79%	0.794	S	S	*	*				52.2	115.4	71.7	-68.9	-171	174	-177.7	0	112.5
522	K	35.7	Very low	33.1	Very low	184 Å²	184	158.6 Å²	158.6	80%	0.8	79%	0.789	S	S	*	*				-163.7	131.2	114.2	-102.7	-177.3	-179.4	-178.6	0	110.7
523	F	43.9	Very low	33.4	Very low	269 Å²	269	161.8 Å²	161.8	100%	1.18	80%	0.801	S	S	*	*			trans	40.4	0	156.2	-62.5	-75.5	0	0	0	119.8

Retrieved 523 of 523 residues in 461.8 ms (Link to these results)

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