A0A087YKE1_POEFO Loading...

Exostosin glycosyltransferase 1

Glycosyltransferase required for the biosynthesis of heparan-sulfate.

AlphaFold DB , UniProt , Accession A0A087YKE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 743 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.8	Very low	49.7	Very low	242 Å²	242	174.3 Å²	174.3	100%	1.192	82%	0.822	S	S	*	*				0	106.9	0	-83.2	-172.8	-102.3	0	0	109.1
2	Q	44.2	Very low	50.1	Low	203 Å²	203	165.8 Å²	165.8	95%	0.949	80%	0.796	S	S	*	*			trans	161.8	70.2	154.6	-93.1	-175	2.6	0	0	110.4
3	A	42.4	Very low	50.5	Low	91 Å²	91	157.7 Å²	157.7	75%	0.752	77%	0.773	S	S	*	*	S	Bend	trans	-141.4	13.3	166.4	0	0	0	0	0	113
4	K	44.5	Very low	51.1	Low	201 Å²	201	149.2 Å²	149.2	87%	0.874	75%	0.746	S	S	*	*	S	Bend	trans	-103	9.2	179.1	-77.9	-169.8	174.6	-176.4	0	114.7
5	K	48.7	Very low	51.6	Low	188 Å²	188	143.1 Å²	143.1	82%	0.817	73%	0.729	S	S	*	*	S	Bend	trans	-104.6	0.4	-178.5	-96.9	-173.5	177.1	-176.6	0	116.3
6	R	49.8	Very low	51.7	Low	216 Å²	216	139.3 Å²	139.3	82%	0.815	72%	0.718	S	S	*	*	S	Bend	trans	-99.3	-12.1	-176.4	-78.6	-174.4	176	-179.3	-0.8	116.4
7	Y	50.8	Low	51.7	Low	191 Å²	191	138.1 Å²	138.1	75%	0.749	71%	0.712	S	S	*	*	S	Bend	trans	-95.3	-16.3	-177.9	-73.8	-79.5	0	0	0	115
8	L	51.9	Low	52	Low	143 Å²	143	137.1 Å²	137.1	75%	0.749	71%	0.707	S	S	*	*	H	α-helix	trans	-81.3	-26.2	179.8	-112.3	122.8	0	0	0	113.6
9	I	54.5	Low	52	Low	125 Å²	125	136 Å²	136	64%	0.641	70%	0.702	S	S	*	*	H	α-helix	trans	-81.1	-27.5	-177.7	-59.9	174.7	0	0	0	111.6	S12	I9-S12 PolarHBondContact O-OG 3.24Å
10	L	54.3	Low	52	Low	134 Å²	134	136.2 Å²	136.2	70%	0.702	70%	0.703	S	S	*	*	H	α-helix	trans	-75.8	-29.3	177	-92	149.4	0	0	0	112.8
11	F	56.1	Low	52	Low	183 Å²	183	136.6 Å²	136.6	80%	0.803	71%	0.706	S	S	*	*	H	α-helix	trans	-79.3	-31.7	178.7	-118	-86.7	0	0	0	113.1
12	S	54.6	Low	52	Low	73 Å²	73	129.2 Å²	129.2	51%	0.51	68%	0.677	S	S	.	*	H	α-helix	trans	-76	-28.1	178.5	68	0	0	0	0	113.4	I9	I9-S12 PolarHBondContact O-OG 3.24Å
13	A	54.5	Low	52.3	Low	60 Å²	60	128.3 Å²	128.3	50%	0.496	67%	0.67	S	S	.	*	H	α-helix	trans	-74	-32.8	177.8	0	0	0	0	0	113
14	G	59.8	Low	51.9	Low	39 Å²	39	127.1 Å²	127.1	40%	0.402	67%	0.667	S	S	.	*	H	α-helix	trans	-71.1	-34.2	177.6	0	0	0	0	0	113.8
15	A	58.1	Low	51.5	Low	58 Å²	58	121 Å²	121	48%	0.479	66%	0.66	S	S	.	*	H	α-helix	trans	-72.1	-31.4	-179.5	0	0	0	0	0	113.4
16	C	53.3	Low	50.7	Low	82 Å²	82	120.2 Å²	120.2	55%	0.554	66%	0.664	S	S	*	*	H	α-helix	trans	-75	-28.4	177.7	-71.9	0	0	0	0	113.3	L20	C16-L20 PolarHBondContact O-N 3.33Å
17	L	52.2	Low	49.7	Very low	119 Å²	119	118.4 Å²	118.4	62%	0.623	66%	0.664	S	S	*	*	H	α-helix	trans	-74.8	-30.1	-179.2	-129.7	113.4	0	0	0	112.6
18	I	56.7	Low	48.7	Very low	119 Å²	119	116 Å²	116	61%	0.61	67%	0.669	S	S	*	*	H	α-helix	trans	-74.6	-34.3	176.9	-65.3	173.7	0	0	0	111	C22	I18-C22 PolarHBondContact O-N 3.15Å; I18-C22 PolarHBondContact O-SG 3.36Å; I18-C22 VanDerWaalsContact O-SG 3.35Å
19	L	51.8	Low	48.4	Very low	117 Å²	117	114.4 Å²	114.4	61%	0.613	67%	0.667	S	S	*	*	H	α-helix	trans	-70.7	-31	176.1	-89.8	156.7	0	0	0	113.6
20	L	52.1	Low	47.2	Very low	139 Å²	139	117 Å²	117	73%	0.728	68%	0.682	S	S	*	*	H	α-helix	trans	-74.6	-27.8	177.4	-83.5	161.3	0	0	0	113.4	C16	C16-L20 PolarHBondContact O-N 3.33Å
21	L	52.2	Low	46	Very low	145 Å²	145	115.8 Å²	115.8	76%	0.759	69%	0.685	S	S	*	*	H	α-helix	trans	-80.5	-22.5	176.7	-80.5	163	0	0	0	113.4
22	C	49.6	Very low	44.7	Very low	88 Å²	88	117.7 Å²	117.7	60%	0.595	69%	0.686	S	S	*	*	S	Bend	trans	-81.1	-15.1	-177.9	-72.9	0	0	0	0	114.9	I18	I18-C22 PolarHBondContact O-N 3.15Å; I18-C22 PolarHBondContact O-SG 3.36Å; I18-C22 VanDerWaalsContact O-SG 3.35Å
23	F	50.8	Low	43.6	Very low	183 Å²	183	125.2 Å²	125.2	80%	0.803	70%	0.704	S	S	*	*	S	Bend	trans	-133.2	7.5	-167.6	-81.5	-74.1	0	0	0	117.7
24	G	34.3	Very low	42.4	Very low	66 Å²	66	125.9 Å²	125.9	68%	0.68	72%	0.716	S	S	*	*			trans	-136.2	84.8	-174.3	0	0	0	0	0	114.9
25	G	35.7	Very low	41.5	Very low	72 Å²	72	130 Å²	130	74%	0.742	74%	0.735	S	S	*	*			trans	-82.5	137.7	159.2	0	0	0	0	0	110.3
26	I	31	Very low	40	Very low	173 Å²	173	132 Å²	132	89%	0.887	75%	0.746	S	S	*	*			trans	-161.4	138.7	149.6	-93.4	144.5	0	0	0	109.2
27	Q	29.5	Very low	38.8	Very low	177 Å²	177	138.7 Å²	138.7	83%	0.827	76%	0.76	S	S	*	*			trans	-68.2	163.6	177.1	-60.8	168.6	-38.4	0	0	113
28	V	30.2	Very low	37.7	Very low	140 Å²	140	142.6 Å²	142.6	85%	0.848	77%	0.766	S	S	*	*				164.2	149.9	125	157.5	0	0	0	0	110.5
29	P	45.1	Very low	36.4	Very low	110 Å²	110	143.7 Å²	143.7	71%	0.714	77%	0.773	S	S	*	*			trans	-110.1	169.9	-149.2	39.1	-26.9	0	0	0	113.5
30	L	28.7	Very low	35.1	Very low	180 Å²	180	145.7 Å²	145.7	94%	0.942	79%	0.785	S	S	*	*			trans	-144.4	129.7	163.9	-99.8	156.7	0	0	0	112
31	S	29.8	Very low	34	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	79%	0.791	S	S	*	*			trans	-110.1	140.3	178.5	-174.6	0	0	0	0	108.6
32	R	29.5	Very low	32.8	Very low	222 Å²	222	147.9 Å²	147.9	84%	0.838	79%	0.789	S	S	*	*			trans	-171.6	119.4	146.5	-111.2	173.1	-178.6	-169.7	0.6	113.8
33	R	30.4	Very low	31.7	Very low	232 Å²	232	151.5 Å²	151.5	88%	0.875	80%	0.802	S	S	*	*			trans	34.3	134.1	134.3	-61.7	175	174.8	179.6	-4	118.5
34	G	28.7	Very low	30.6	Very low	73 Å²	73	147.9 Å²	147.9	75%	0.753	81%	0.806	S	S	*	*			cis	154.9	-167.8	16	0	0	0	0	0	106.7
35	P	41	Very low	30.2	Very low	125 Å²	125	148 Å²	148	81%	0.812	81%	0.807	S	S	*	*			cis	-136	174.9	-28.3	40.3	-21.9	0	0	0	116.1
36	S	28.4	Very low	29.7	Very low	101 Å²	101	155.4 Å²	155.4	71%	0.706	81%	0.814	S	S	*	*			trans	86.2	111	149.5	75.3	0	0	0	0	121.4
37	R	27.5	Very low	29.4	Very low	222 Å²	222	155.7 Å²	155.7	84%	0.838	81%	0.812	S	S	*	*				79	132.4	108.9	-75.2	-176.4	175.8	176.5	-0.3	113.4
38	R	28.5	Very low	29.4	Very low	201 Å²	201	152.8 Å²	152.8	76%	0.758	81%	0.808	S	S	*	*			cis	-163.6	150	12.4	-113.5	175.6	178.9	169.3	-3.3	107.1
39	D	28.8	Very low	29.4	Very low	142 Å²	142	149.9 Å²	149.9	76%	0.759	81%	0.807	S	S	*	*			trans	34.8	110.6	152.2	-54	-36.4	0	0	0	120.1
40	D	26.1	Very low	28.6	Very low	159 Å²	159	148.5 Å²	148.5	85%	0.85	80%	0.804	S	S	*	*				-163.8	158.5	116.9	-126.2	-28.4	0	0	0	113.8
41	R	28.9	Very low	28.5	Very low	226 Å²	226	151.8 Å²	151.8	85%	0.853	80%	0.804	S	S	*	*			trans	-65.6	151.7	-169.3	-69.3	165.7	163.6	176.5	-4.6	115.2
42	S	25.6	Very low	28.4	Very low	105 Å²	105	157.8 Å²	157.8	73%	0.734	81%	0.81	S	S	*	*			trans	111	134.7	144.1	79.9	0	0	0	0	119.3
43	L	27.5	Very low	28.2	Very low	164 Å²	164	158.8 Å²	158.8	86%	0.859	81%	0.814	S	S	*	*			trans	81.8	125.1	152.7	-80.3	133.6	0	0	0	121.9
44	A	27	Very low	28	Very low	106 Å²	106	157.7 Å²	157.7	88%	0.876	81%	0.81	S	S	*	*			trans	84.7	125.8	149.4	0	0	0	0	0	119.3
45	G	25.4	Very low	28	Very low	70 Å²	70	162.4 Å²	162.4	72%	0.722	82%	0.817	S	S	*	*			trans	168.6	49.4	170.5	0	0	0	0	0	114.8	H47	G45-H47 PolarHBondContact O-N 3.45Å
46	Y	25.7	Very low	27.3	Very low	226 Å²	226	165.8 Å²	165.8	89%	0.886	82%	0.822	S	S	*	*			trans	-69.9	112.8	168.8	-149.7	-97.9	0	0	0	108.1
47	H	25.5	Very low	27.4	Very low	180 Å²	180	164.5 Å²	164.5	83%	0.833	83%	0.825	S	S	*	*			trans	-119	121.5	167.1	-92.2	-60.5	0	0	0	109.9	G45	G45-H47 PolarHBondContact O-N 3.45Å
48	P	29	Very low	27.4	Very low	116 Å²	116	162.6 Å²	162.6	75%	0.753	82%	0.818	S	S	*	*			trans	-84.3	124.7	173.5	32.2	-27.8	0	0	0	109.3
49	G	31.3	Very low	27.4	Very low	79 Å²	79	161.2 Å²	161.2	81%	0.814	83%	0.825	S	S	*	*			trans	157.8	39.6	175.7	0	0	0	0	0	116.2	R51	G49-R51 PolarHBondContact O-N 3.39Å
50	A	27	Very low	27.3	Very low	80 Å²	80	161.5 Å²	161.5	66%	0.661	82%	0.822	S	S	*	*			trans	-90.5	99.4	165	0	0	0	0	0	108.8	W52	A50-W52 VanDerWaalsContact O-CD1 3.28Å; A50-W52 PolarHBondContact O-N 2.99Å
51	R	26.6	Very low	27.3	Very low	249 Å²	249	159.2 Å²	159.2	94%	0.94	82%	0.819	S	S	*	*			trans	-59.8	95.2	171.3	-160.9	178.4	-169.6	-175.7	2.9	108.3	G49 R53	G49-R51 PolarHBondContact O-N 3.39Å; R51-R53 PolarHBondContact O-N 3.35Å
52	W	28.1	Very low	27.1	Very low	236 Å²	236	156.3 Å²	156.3	89%	0.894	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-61	120.5	175.4	-71.6	94.2	0	0	0	109.6	A50 R54	A50-W52 VanDerWaalsContact O-CD1 3.28Å; A50-W52 PolarHBondContact O-N 2.99Å; W52-R54 PolarHBondContact O-N 3.24Å
53	R	24.7	Very low	27.5	Very low	242 Å²	242	156.2 Å²	156.2	91%	0.913	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-55.6	119.3	169	-83.9	179.3	166.2	-171.1	-4.3	108.3	R51 L55	R51-R53 PolarHBondContact O-N 3.35Å; R53-L55 PolarHBondContact O-N 3.38Å
54	R	26.6	Very low	27.3	Very low	210 Å²	210	153.5 Å²	153.5	79%	0.792	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-52	120.3	162.8	-88	180	-172.8	176.1	1.5	108	W52 Q56	W52-R54 PolarHBondContact O-N 3.24Å; R54-Q56 PolarHBondContact O-N 3.45Å; R54-Q56 VanDerWaalsContact O-N 3.14Å
55	L	27.8	Very low	27.3	Very low	172 Å²	172	158.6 Å²	158.6	90%	0.901	81%	0.805	S	S	*	*			trans	-62	111.7	156.6	-93.6	145.7	0	0	0	106.8	R53 G57	R53-L55 PolarHBondContact O-N 3.38Å; L55-G57 PolarHBondContact O-N 2.9Å
56	Q	27.2	Very low	27.3	Very low	196 Å²	196	163.4 Å²	163.4	92%	0.916	81%	0.809	S	S	*	*			trans	-83.7	103.6	-176.2	-157.5	166.5	0.6	0	0	107.5	R54	R54-Q56 PolarHBondContact O-N 3.45Å; R54-Q56 VanDerWaalsContact O-N 3.14Å
57	G	29.8	Very low	27.7	Very low	74 Å²	74	162.7 Å²	162.7	76%	0.763	81%	0.81	S	S	*	*			trans	-157.5	43.4	175.2	0	0	0	0	0	109.7	L55	L55-G57 PolarHBondContact O-N 2.9Å
58	Y	28.6	Very low	27.7	Very low	181 Å²	181	160.2 Å²	160.2	71%	0.71	80%	0.803	S	S	*	*			trans	-87	111.8	169.8	-84.7	-89.5	0	0	0	108.1	Q60	Y58-Q60 PolarHBondContact O-N 3.2Å
59	L	29.1	Very low	27.7	Very low	172 Å²	172	165.3 Å²	165.3	90%	0.901	81%	0.807	S	S	*	*			trans	-70	112.3	141.6	-79.8	163.5	0	0	0	105.7	S61	L59-S61 PolarHBondContact O-N 3.49Å
60	Q	25.1	Very low	27.6	Very low	148 Å²	148	167 Å²	167	69%	0.692	81%	0.806	S	S	*	*			trans	-56.7	129	168.2	-82.3	172.5	-45.4	0	0	108.7	Y58 F62	Y58-Q60 PolarHBondContact O-N 3.2Å; Q60-F62 PolarHBondContact O-N 2.79Å
61	S	26.5	Very low	27.9	Very low	111 Å²	111	170.7 Å²	170.7	78%	0.776	82%	0.815	S	S	*	*			trans	-63.7	103.2	158.9	178.6	0	0	0	0	107.1	L59 S63	L59-S61 PolarHBondContact O-N 3.49Å; S61-S63 PolarHBondContact O-N 2.85Å
62	F	25.2	Very low	28.2	Very low	165 Å²	165	166.1 Å²	166.1	72%	0.724	81%	0.809	S	S	*	*			trans	-71.2	86.6	165.5	-82.9	-85	0	0	0	107.9	Q60 T64	Q60-F62 PolarHBondContact O-N 2.79Å; F62-T64 VanDerWaalsContact C-N 3.28Å; F62-T64 PolarHBondContact O-N 2.71Å
63	S	33.3	Very low	28.5	Very low	104 Å²	104	163.1 Å²	163.1	73%	0.727	81%	0.81	S	S	*	*			trans	-84.6	77.6	159.8	63.8	0	0	0	0	108.8	S61	S61-S63 PolarHBondContact O-N 2.85Å
64	T	24.3	Very low	29.3	Very low	106 Å²	106	156.7 Å²	156.7	65%	0.65	80%	0.802	S	S	*	*			trans	-141.6	81.5	159.3	44.6	0	0	0	0	106.5	F62 E66	F62-T64 VanDerWaalsContact C-N 3.28Å; F62-T64 PolarHBondContact O-N 2.71Å; T64-E66 PolarHBondContact O-N 3.05Å
65	F	26.8	Very low	30	Very low	214 Å²	214	154.9 Å²	154.9	94%	0.939	80%	0.802	S	S	*	*			trans	-80.2	104.4	155.8	-102.1	-84.8	0	0	0	106.6
66	E	25.3	Very low	30.9	Very low	170 Å²	170	155.1 Å²	155.1	79%	0.794	80%	0.799	S	S	*	*			trans	-49.1	134.6	164.4	-70.9	172.5	143	0	0	109.6	T64 D68	T64-E66 PolarHBondContact O-N 3.05Å; E66-D68 PolarHBondContact O-N 3.46Å; E66-D68 VanDerWaalsContact O-N 3.1Å
67	K	33.6	Very low	31.9	Very low	212 Å²	212	150.6 Å²	150.6	92%	0.922	78%	0.78	S	S	*	*			trans	-50.5	107.5	149.6	-99.5	172.2	165.1	178.1	0	107.3
68	D	25.2	Very low	33.1	Very low	127 Å²	127	149.4 Å²	149.4	68%	0.679	76%	0.76	S	S	*	*			trans	-150.5	118.9	148.1	-123.1	-11.5	0	0	0	111.9	E66	E66-D68 PolarHBondContact O-N 3.46Å; E66-D68 VanDerWaalsContact O-N 3.1Å
69	R	30.4	Very low	34.3	Very low	224 Å²	224	146.1 Å²	146.1	85%	0.845	76%	0.76	S	S	*	*			trans	63.3	90.6	149.2	-66.4	165.7	-174.6	-141.2	-5.1	119.1
70	S	28.6	Very low	35.2	Very low	114 Å²	114	147.7 Å²	147.7	80%	0.797	75%	0.754	S	S	*	*			trans	-143.8	46.5	132.6	71.4	0	0	0	0	110.9
71	D	32.3	Very low	36	Very low	157 Å²	157	145.7 Å²	145.7	84%	0.84	75%	0.745	S	S	*	*			trans	-94.3	88.8	155	-85.2	-23.7	0	0	0	105.4
72	D	34	Very low	36.9	Very low	154 Å²	154	147.1 Å²	147.1	82%	0.824	74%	0.737	S	S	*	*	S	Bend	trans	160.9	73.8	157.3	-86.3	-18.6	0	0	0	108.7
73	L	34.4	Very low	38.2	Very low	172 Å²	172	148.9 Å²	148.9	90%	0.901	74%	0.739	S	S	*	*			trans	-176.5	73.3	144.8	-119.5	89.7	0	0	0	107
74	S	40.2	Very low	38.7	Very low	107 Å²	107	148.2 Å²	148.2	75%	0.748	73%	0.727	S	S	*	*			trans	-138.3	47.6	177.4	-66	0	0	0	0	110.8
75	E	42.7	Very low	39.4	Very low	172 Å²	172	146.6 Å²	146.6	80%	0.804	72%	0.717	S	S	*	*	S	Bend	trans	-108.4	120.1	164.2	-73.5	-168.5	149.4	0	0	109.3
76	H	46.6	Very low	40.3	Very low	177 Å²	177	140.5 Å²	140.5	82%	0.819	69%	0.694	S	S	*	*			trans	81.3	62.7	173.9	-47.9	-51.2	0	0	0	118
77	I	48.7	Very low	41.3	Very low	102 Å²	102	135.4 Å²	135.4	52%	0.523	68%	0.678	S	S	.	*			trans	-110.5	125.2	155.4	-58.3	176.6	0	0	0	108.3	Q81	I77-Q81 HydrophobicContact CG2-CB 3.42Å; I77-Q81 VanDerWaalsContact CG2-CB 3.42Å
78	S	54.5	Low	41.7	Very low	48 Å²	48	132.7 Å²	132.7	34%	0.336	67%	0.666	S	S	.	*			trans	-63.1	152.6	-179.1	73.3	0	0	0	0	111.7	R80 Q81 K82	S78-R80 PolarHBondContact O-N 2.67Å; S78-Q81 PolarHBondContact O-N 2.92Å; S78-Q81 PolarHBondContact OG-N 3.18Å; S78-Q81 PolarHBondContact OG-OE1 3.38Å; S78-Q81 VanDerWaalsContact OG-OE1 3.11Å; S78-K82 PolarHBondContact O-N 3.39Å
79	P	52.8	Low	42.5	Very low	112 Å²	112	130 Å²	130	73%	0.727	65%	0.651	S	S	*	*	H	α-helix	trans	-56.4	-25.5	176.9	-25	33.5	0	0	0	114	R83	P79-R83 PolarHBondContact O-N 3.46Å
80	R	48.8	Very low	43.3	Very low	205 Å²	205	125.2 Å²	125.2	77%	0.774	63%	0.634	S	S	*	*	H	α-helix	trans	-73.3	-47.7	176.4	-142.2	175.2	-172.3	172.8	1.6	111.1	S78 K82 R83 D84	S78-R80 PolarHBondContact O-N 2.67Å; R80-K82 VanDerWaalsContact C-N 3.3Å; R80-K82 PolarHBondContact O-N 3.41Å; R80-R83 PolarHBondContact O-N 3.32Å; R80-D84 PolarHBondContact O-N 2.7Å
81	Q	41.5	Very low	44.2	Very low	106 Å²	106	121.6 Å²	121.6	50%	0.495	61%	0.608	S	S	.	*	H	α-helix	trans	-64.1	-33.5	173	-79.6	164.2	-42.6	0	0	112.5	I77 S78 R83 D84 T85	I77-Q81 HydrophobicContact CG2-CB 3.42Å; I77-Q81 VanDerWaalsContact CG2-CB 3.42Å; S78-Q81 PolarHBondContact O-N 2.92Å; S78-Q81 PolarHBondContact OG-N 3.18Å; S78-Q81 PolarHBondContact OG-OE1 3.38Å; S78-Q81 VanDerWaalsContact OG-OE1 3.11Å; Q81-R83 VanDerWaalsContact C-N 3.34Å; Q81-D84 PolarHBondContact O-N 3.44Å; Q81-T85 PolarHBondContact O-N 3.04Å; Q81-T85 PolarHBondContact O-OG1 3.46Å
82	K	45.7	Very low	45.9	Very low	141 Å²	141	115.5 Å²	115.5	61%	0.613	58%	0.582	S	S	*	*	H	α-helix	trans	-66.3	-35	175.4	-142.9	172.8	-172.8	174.9	0	112.2	S78 R80 T85 N86	S78-K82 PolarHBondContact O-N 3.39Å; R80-K82 VanDerWaalsContact C-N 3.3Å; R80-K82 PolarHBondContact O-N 3.41Å; K82-T85 WeakPolarHBondContact CA-OG1 3.42Å; K82-T85 PolarHBondContact O-OG1 2.78Å; K82-T85 VanDerWaalsContact O-OG1 3.12Å; K82-N86 WeakPolarHBondContact O-CB 3.21Å; K82-N86 PolarHBondContact O-N 3.03Å; K82-N86 VanDerWaalsContact O-N 3.14Å
83	R	52.3	Low	47.3	Very low	203 Å²	203	114.9 Å²	114.9	77%	0.766	57%	0.572	S	S	*	*	H	α-helix	trans	-71.6	-40.6	170.7	-83	-176.9	-179	173.1	1.3	112.2	P79 R80 Q81 N86 S87	P79-R83 PolarHBondContact O-N 3.46Å; R80-R83 PolarHBondContact O-N 3.32Å; Q81-R83 VanDerWaalsContact C-N 3.34Å; R83-N86 PolarHBondContact O-N 3.39Å; R83-S87 PolarHBondContact O-N 2.74Å
84	D	43	Very low	49.5	Very low	89 Å²	89	114.9 Å²	114.9	48%	0.476	56%	0.56	S	S	.	*	H	α-helix	trans	-66.3	-42.6	176.7	-66.9	-25.7	0	0	0	111.2	R80 Q81 N86 S87 F88	R80-D84 PolarHBondContact O-N 2.7Å; Q81-D84 PolarHBondContact O-N 3.44Å; D84-N86 VanDerWaalsContact C-N 3.34Å; D84-N86 PolarHBondContact O-N 2.62Å; D84-S87 WeakPolarHBondContact O-CB 3.17Å; D84-S87 PolarHBondContact O-N 2.68Å; D84-F88 WeakPolarHBondContact O-CD2 3.38Å; D84-F88 PolarHBondContact O-N 2.76Å
85	T	39.8	Very low	51.8	Low	72 Å²	72	110 Å²	110	44%	0.442	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-33.2	172.8	41	0	0	0	0	113.2	Q81 K82 F88 L89	Q81-T85 PolarHBondContact O-N 3.04Å; Q81-T85 PolarHBondContact O-OG1 3.46Å; K82-T85 WeakPolarHBondContact CA-OG1 3.42Å; K82-T85 PolarHBondContact O-OG1 2.78Å; K82-T85 VanDerWaalsContact O-OG1 3.12Å; T85-F88 PolarHBondContact O-N 3.05Å; T85-L89 WeakPolarHBondContact O-CB 3.5Å; T85-L89 WeakPolarHBondContact O-CD1 3.46Å; T85-L89 WeakPolarHBondContact O-CG 3.32Å; T85-L89 PolarHBondContact O-N 2.79Å
86	N	45.3	Very low	54.1	Low	86 Å²	86	109.1 Å²	109.1	46%	0.46	52%	0.515	S	S	.	.	H	α-helix	trans	-71.5	-34	173.2	-93.1	-9.9	0	0	0	112.4	K82 R83 D84 F88 L89 Y90	K82-N86 WeakPolarHBondContact O-CB 3.21Å; K82-N86 PolarHBondContact O-N 3.03Å; K82-N86 VanDerWaalsContact O-N 3.14Å; R83-N86 PolarHBondContact O-N 3.39Å; D84-N86 VanDerWaalsContact C-N 3.34Å; D84-N86 PolarHBondContact O-N 2.62Å; N86-F88 VanDerWaalsContact C-N 3.32Å; N86-L89 PolarHBondContact O-N 3.1Å; N86-L89 VanDerWaalsContact OD1-CD1 3.22Å; N86-L89 WeakPolarHBondContact OD1-CD1 2.92Å; N86-Y90 WeakPolarHBondContact O-CD2 3.4Å
87	S	46.2	Very low	56.4	Low	63 Å²	63	101.5 Å²	101.5	44%	0.441	48%	0.48	S	S	.	.	H	α-helix	trans	-62.5	-38.7	170.4	164	0	0	0	0	111.8	R83 D84 T91	R83-S87 PolarHBondContact O-N 2.74Å; D84-S87 WeakPolarHBondContact O-CB 3.17Å; D84-S87 PolarHBondContact O-N 2.68Å; S87-T91 PolarHBondContact O-OG1 2.98Å; S87-T91 VanDerWaalsContact O-OG1 3.12Å
88	F	42.6	Very low	58.4	Low	155 Å²	155	103 Å²	103	68%	0.68	49%	0.485	S	S	*	.	H	α-helix	trans	-78.6	-16.5	174.2	-73.4	-69.3	0	0	0	115.1	D84 T85 N86 Y90 T91	D84-F88 WeakPolarHBondContact O-CD2 3.38Å; D84-F88 PolarHBondContact O-N 2.76Å; T85-F88 PolarHBondContact O-N 3.05Å; N86-F88 VanDerWaalsContact C-N 3.32Å; F88-Y90 VanDerWaalsContact C-N 3.34Å; F88-T91 VanDerWaalsContact CA-OG1 3.32Å; F88-T91 WeakPolarHBondContact CA-OG1 3.33Å; F88-T91 PolarHBondContact O-OG1 3.13Å
89	L	41.8	Very low	60.2	Low	70 Å²	70	102.7 Å²	102.7	37%	0.366	48%	0.482	S	S	.	.	H	α-helix	trans	-75	-23.6	178.3	-87	161.5	0	0	0	113.2	T85 N86	T85-L89 WeakPolarHBondContact O-CB 3.5Å; T85-L89 WeakPolarHBondContact O-CD1 3.46Å; T85-L89 WeakPolarHBondContact O-CG 3.32Å; T85-L89 PolarHBondContact O-N 2.79Å; N86-L89 PolarHBondContact O-N 3.1Å; N86-L89 VanDerWaalsContact OD1-CD1 3.22Å; N86-L89 WeakPolarHBondContact OD1-CD1 2.92Å
90	Y	47.2	Very low	62.2	Low	124 Å²	124	97.4 Å²	97.4	49%	0.486	45%	0.448	S	S	.	.	S	Bend	trans	-107.5	-4.5	-179.8	-63.5	-72.8	0	0	0	113.8	N86 F88 C95 C100 F210	N86-Y90 WeakPolarHBondContact O-CD2 3.4Å; F88-Y90 VanDerWaalsContact C-N 3.34Å; Y90-C95 PolarHBondContact O-SG 3.11Å; Y90-C95 VanDerWaalsContact O-SG 3.34Å; Y90-C100 PolarHBondContact O-SG 3.06Å; Y90-F210 WeakPolarHBondContact O-CD1 3.07Å; Y90-F210 WeakPolarHBondContact O-CE1 3.3Å
91	T	47	Very low	64.4	Low	39 Å²	39	88 Å²	88	24%	0.239	41%	0.413	C	S	.	.	S	Bend	trans	-91.2	133.4	174	42.5	0	0	0	0	111	S87 F88 F210	S87-T91 PolarHBondContact O-OG1 2.98Å; S87-T91 VanDerWaalsContact O-OG1 3.12Å; F88-T91 VanDerWaalsContact CA-OG1 3.32Å; F88-T91 WeakPolarHBondContact CA-OG1 3.33Å; F88-T91 PolarHBondContact O-OG1 3.13Å; T91-F210 HydrophobicContact CG2-CE1 4Å; T91-F210 HydrophobicContact CG2-CZ 4Å
92	G	67.7	Low	66.9	Low	29 Å²	29	85.1 Å²	85.1	30%	0.299	40%	0.401	S	S	.	.	S	Bend	trans	87.2	-138.5	175.9	0	0	0	0	0	116.1	R94 C95 R224	G92-R94 PolarHBondContact O-N 3.29Å; G92-C95 PolarHBondContact O-N 3.44Å; G92-C95 VanDerWaalsContact O-N 3.12Å; G92-R224 WeakPolarHBondContact O-CD 3.22Å
93	K	65.1	Low	69.2	Low	140 Å²	140	81.3 Å²	81.3	61%	0.609	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-7.7	-164.8	-69.5	-165.4	175.8	-156.7	0	116.4	E221 N222	K93-E221 PolarHBondContact NZ-O 3.19Å; K93-N222 WeakPolarHBondContact CE-OD1 3.24Å; K93-N222 PolarHBondContact NZ-OD1 2.63Å
94	R	79.6	Confident	71.2	Confident	172 Å²	172	73.8 Å²	73.8	65%	0.649	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	3.5	-178.7	-65.4	-174.4	177.7	177.5	0.6	114.1	G92 R96	G92-R94 PolarHBondContact O-N 3.29Å; R94-R96 PolarHBondContact O-N 2.98Å
95	C	88	Confident	73.4	Confident	4 Å²	4	72.2 Å²	72.2	3%	0.027	35%	0.354	C	S	.	.			trans	-63.2	134.9	176.6	-86.4	0	0	0	0	112.8	Y90 G92 C100 F227	Y90-C95 PolarHBondContact O-SG 3.11Å; Y90-C95 VanDerWaalsContact O-SG 3.34Å; G92-C95 PolarHBondContact O-N 3.44Å; G92-C95 VanDerWaalsContact O-N 3.12Å; C95-C100 WeakPolarHBondContact CA-SG 3.27Å; C95-C100 HydrophobicContact CB-CB 3.62Å; C95-C100 WeakPolarHBondContact CB-SG 3.28Å; C95-C100 WeakPolarHBondContact SG-CB 3.36Å; C95-C100 CovalentContact SG-SG 2.05Å; C95-C100 PolarHBondContact SG-SG 3.2Å; C95-F227 HydrophobicContact CB-CD1 3.81Å; C95-F227 HydrophobicContact CB-CE1 3.63Å; C95-F227 HydrophobicContact CB-CG 4.35Å; C95-F227 HydrophobicContact CB-CZ 4.03Å
96	R	92.3	Very high	76	Confident	154 Å²	154	69 Å²	69	58%	0.581	33%	0.334	S	S	*	.			trans	-131.6	167.5	173.4	-61.6	-176.5	176.6	-149.3	-3.6	108.7	R94 E98 S99 C100 F227	R94-R96 PolarHBondContact O-N 2.98Å; R96-E98 VanDerWaalsContact C-N 3.29Å; R96-E98 HydrophobicContact CB-CG 4.34Å; R96-E98 WeakPolarHBondContact CD-OE1 3.22Å; R96-E98 IonicContact NH1-OE1 3.94Å; R96-E98 PolarHBondContact O-N 2.88Å; R96-S99 PolarHBondContact N-OG 3.14Å; R96-S99 PolarHBondContact O-N 2.92Å; R96-S99 PolarHBondContact O-OG 3.45Å; R96-C100 PolarHBondContact O-N 3.49Å; R96-F227 VanDerWaalsContact C-CD2 3.4Å
97	M	93.9	Very high	78.1	Confident	17 Å²	17	72.5 Å²	72.5	8%	0.084	35%	0.348	C	S	.	.	H	α-helix	trans	-57.1	-45	175.4	-68	-63.4	-63	0	0	110.7	S99 F101 F103 M212 Q226 F227 R430 V431	M97-S99 VanDerWaalsContact C-N 3.3Å; M97-S99 PolarHBondContact O-N 3.37Å; M97-F101 HydrophobicContact CE-CB 4.06Å; M97-F101 HydrophobicContact CE-CD1 3.83Å; M97-F101 HydrophobicContact CE-CD2 4.23Å; M97-F101 HydrophobicContact CE-CE1 4.34Å; M97-F101 HydrophobicContact CE-CG 3.77Å; M97-F101 VanDerWaalsContact O-CB 3.31Å; M97-F101 WeakPolarHBondContact O-CB 3.38Å; M97-F101 PolarHBondContact O-N 2.95Å; M97-F101 HydrophobicContact SD-CB 4.34Å; M97-F103 HydrophobicContact CB-CE2 4.46Å; M97-F103 HydrophobicContact CB-CZ 3.85Å; M97-F103 HydrophobicContact CE-CE1 4.27Å; M97-F103 HydrophobicContact CE-CZ 4.21Å; M97-F103 WeakPolarHBondContact O-CE2 3.28Å; M97-M212 HydrophobicContact SD-SD 4.24Å; M97-Q226 VanDerWaalsContact CG-O 3.26Å; M97-Q226 WeakPolarHBondContact CG-O 3.47Å; M97-F227 HydrophobicContact CG-CD2 4.32Å; M97-F227 HydrophobicContact SD-CD2 3.84Å; M97-F227 HydrophobicContact SD-CE2 4.31Å; M97-R430 HydrophobicContact CE-CB 3.99Å; M97-R430 HydrophobicContact CG-CB 4.36Å; M97-R430 HydrophobicContact SD-CB 4.38Å; M97-V431 HydrophobicContact CE-CG2 4.13Å
98	E	91.9	Very high	80	Confident	135 Å²	135	78.8 Å²	78.8	63%	0.631	36%	0.362	S	S	*	.	H	α-helix	trans	-65.9	-24.8	179.5	65.2	-95.8	-165.1	0	0	115.4	R96	R96-E98 VanDerWaalsContact C-N 3.29Å; R96-E98 HydrophobicContact CB-CG 4.34Å; R96-E98 WeakPolarHBondContact CD-OE1 3.22Å; R96-E98 IonicContact NH1-OE1 3.94Å; R96-E98 PolarHBondContact O-N 2.88Å
99	S	91.3	Very high	82.1	Confident	41 Å²	41	74.1 Å²	74.1	29%	0.287	34%	0.344	S	S	.	.	H	α-helix	trans	-103.6	-34.1	-172.2	59.7	0	0	0	0	113.9	R96 M97	R96-S99 PolarHBondContact N-OG 3.14Å; R96-S99 PolarHBondContact O-N 2.92Å; R96-S99 PolarHBondContact O-OG 3.45Å; M97-S99 VanDerWaalsContact C-N 3.3Å; M97-S99 PolarHBondContact O-N 3.37Å
100	C	94.3	Very high	84.5	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.007	34%	0.342	C	S	.	.	H	α-helix	trans	-117.3	-2.9	-171.2	-63.8	0	0	0	0	113.9	Y90 C95 R96 K185 F210 F227	Y90-C100 PolarHBondContact O-SG 3.06Å; C95-C100 WeakPolarHBondContact CA-SG 3.27Å; C95-C100 HydrophobicContact CB-CB 3.62Å; C95-C100 WeakPolarHBondContact CB-SG 3.28Å; C95-C100 WeakPolarHBondContact SG-CB 3.36Å; C95-C100 CovalentContact SG-SG 2.05Å; C95-C100 PolarHBondContact SG-SG 3.2Å; R96-C100 PolarHBondContact O-N 3.49Å; C100-K185 WeakPolarHBondContact O-CG 3.36Å; C100-F210 HydrophobicContact CB-CB 4.12Å; C100-F210 HydrophobicContact CB-CD1 4.13Å; C100-F210 VanDerWaalsContact SG-CD1 3.59Å; C100-F227 HydrophobicContact CB-CE1 4.37Å; C100-F227 HydrophobicContact CB-CE2 3.75Å; C100-F227 HydrophobicContact CB-CZ 3.52Å
101	F	95.4	Very high	86.7	Confident	7 Å²	7	66.9 Å²	66.9	3%	0.031	32%	0.321	C	S	.	.			trans	-117.6	138.8	176.4	-170	-90.8	0	0	0	111.1	M97 F103 C106 L150 N186 M212 F227 V431	M97-F101 HydrophobicContact CE-CB 4.06Å; M97-F101 HydrophobicContact CE-CD1 3.83Å; M97-F101 HydrophobicContact CE-CD2 4.23Å; M97-F101 HydrophobicContact CE-CE1 4.34Å; M97-F101 HydrophobicContact CE-CG 3.77Å; M97-F101 VanDerWaalsContact O-CB 3.31Å; M97-F101 WeakPolarHBondContact O-CB 3.38Å; M97-F101 PolarHBondContact O-N 2.95Å; M97-F101 HydrophobicContact SD-CB 4.34Å; F101-F103 HydrophobicContact CD1-CD1 4.23Å; F101-F103 HydrophobicContact CD1-CD2 4.22Å; F101-F103 HydrophobicContact CD1-CE1 4.35Å; F101-F103 HydrophobicContact CD1-CE2 4.32Å; F101-F103 HydrophobicContact CD1-CG 4.19Å; F101-F103 HydrophobicContact CD1-CZ 4.42Å; F101-F103 HydrophobicContact CE1-CD1 4.39Å; F101-C106 VanDerWaalsContact CE1-SG 3.54Å; F101-L150 HydrophobicContact CE2-CD1 4.18Å; F101-N186 HydrophobicContact CE2-CB 4.26Å; F101-M212 HydrophobicContact CD2-CE 3.88Å; F101-M212 HydrophobicContact CE2-CE 3.86Å; F101-F227 HydrophobicContact CB-CE2 4.31Å; F101-V431 HydrophobicContact CE1-CG2 3.75Å; F101-V431 HydrophobicContact CZ-CG2 3.89Å
102	D	94.4	Very high	89.1	Confident	46 Å²	46	68.5 Å²	68.5	25%	0.246	33%	0.325	C	S	.	.			trans	-97.5	105.1	176.1	-156	-42.4	0	0	0	111.2	S104 K185 N186	D102-S104 VanDerWaalsContact C-N 3.32Å; D102-S104 PolarHBondContact O-N 3.14Å; D102-S104 WeakPolarHBondContact OD1-CB 3.49Å; D102-S104 PolarHBondContact OD1-N 3.12Å; D102-S104 VanDerWaalsContact OD1-N 3.1Å; D102-S104 PolarHBondContact OD1-OG 2.87Å; D102-K185 HydrophobicContact CB-CD 4.18Å; D102-K185 IonicContact OD2-NZ 2.7Å; D102-K185 PolarHBondContact OD2-NZ 2.91Å; D102-N186 WeakPolarHBondContact CA-OD1 3.38Å; D102-N186 WeakPolarHBondContact CB-OD1 3.45Å; D102-N186 PolarHBondContact N-OD1 2.73Å; D102-N186 PolarHBondContact O-ND2 3.45Å
103	F	95.1	Very high	90.6	Very high	61 Å²	61	67.1 Å²	67.1	27%	0.268	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.8	179.6	-65.5	-94	0	0	0	113.2	M97 F101 L105 C106 E107 V431	M97-F103 HydrophobicContact CB-CE2 4.46Å; M97-F103 HydrophobicContact CB-CZ 3.85Å; M97-F103 HydrophobicContact CE-CE1 4.27Å; M97-F103 HydrophobicContact CE-CZ 4.21Å; M97-F103 WeakPolarHBondContact O-CE2 3.28Å; F101-F103 HydrophobicContact CD1-CD1 4.23Å; F101-F103 HydrophobicContact CD1-CD2 4.22Å; F101-F103 HydrophobicContact CD1-CE1 4.35Å; F101-F103 HydrophobicContact CD1-CE2 4.32Å; F101-F103 HydrophobicContact CD1-CG 4.19Å; F101-F103 HydrophobicContact CD1-CZ 4.42Å; F101-F103 HydrophobicContact CE1-CD1 4.39Å; F103-L105 PolarHBondContact O-N 2.84Å; F103-L105 VanDerWaalsContact O-N 3.13Å; F103-C106 WeakPolarHBondContact O-CA 3.42Å; F103-C106 WeakPolarHBondContact O-CB 3.31Å; F103-C106 PolarHBondContact O-N 3.42Å; F103-E107 PolarHBondContact O-N 2.68Å; F103-V431 HydrophobicContact CD1-CG1 4.49Å
104	S	93.2	Very high	92.2	Very high	44 Å²	44	61.9 Å²	61.9	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-29.7	-172	70.7	0	0	0	0	113.1	D102 R108	D102-S104 VanDerWaalsContact C-N 3.32Å; D102-S104 PolarHBondContact O-N 3.14Å; D102-S104 WeakPolarHBondContact OD1-CB 3.49Å; D102-S104 PolarHBondContact OD1-N 3.12Å; D102-S104 VanDerWaalsContact OD1-N 3.1Å; D102-S104 PolarHBondContact OD1-OG 2.87Å; S104-R108 WeakPolarHBondContact O-CG 3.4Å; S104-R108 PolarHBondContact O-N 3.49Å
105	L	89.9	Confident	93	Very high	57 Å²	57	54.1 Å²	54.1	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-69.4	-37.4	174.8	-61.8	178.7	0	0	0	112	F103 C149 F151	F103-L105 PolarHBondContact O-N 2.84Å; F103-L105 VanDerWaalsContact O-N 3.13Å; L105-C149 HydrophobicContact CB-CB 4.2Å; L105-F151 HydrophobicContact CD1-CE2 4.4Å
106	C	93	Very high	93.4	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.027	26%	0.26	C	S	.	.	H	α-helix	trans	-71.8	-38.7	178	-55.7	0	0	0	0	111.7	F101 F103 R108 G110 C149 V431	F101-C106 VanDerWaalsContact CE1-SG 3.54Å; F103-C106 WeakPolarHBondContact O-CA 3.42Å; F103-C106 WeakPolarHBondContact O-CB 3.31Å; F103-C106 PolarHBondContact O-N 3.42Å; C106-R108 VanDerWaalsContact C-N 3.3Å; C106-R108 PolarHBondContact O-N 3.18Å; C106-G110 CarbonylContact O-C 3.59Å; C106-G110 WeakPolarHBondContact O-CA 3.36Å; C106-G110 PolarHBondContact O-N 3.1Å; C106-C149 HydrophobicContact CB-CB 4.04Å; C106-C149 WeakPolarHBondContact SG-CB 3.4Å; C106-C149 PolarHBondContact SG-SG 3.01Å; C106-V431 HydrophobicContact CB-CG1 3.42Å; C106-V431 VanDerWaalsContact CB-CG1 3.42Å; C106-V431 WeakPolarHBondContact SG-CG1 3.2Å
107	E	89.8	Confident	93.5	Very high	160 Å²	160	51.4 Å²	51.4	75%	0.748	26%	0.259	S	S	*	.	H	α-helix	trans	-64.2	-35.3	-178.2	-71.4	176.5	172	0	0	112.2	F103	F103-E107 PolarHBondContact O-N 2.68Å
108	R	85.9	Confident	93.3	Very high	195 Å²	195	55.9 Å²	55.9	74%	0.736	28%	0.28	S	S	*	.	H	α-helix	trans	-74.1	-47.9	-178	-69.8	176.8	-172	-173.6	3.6	113.4	S104 C106	S104-R108 WeakPolarHBondContact O-CG 3.4Å; S104-R108 PolarHBondContact O-N 3.49Å; C106-R108 VanDerWaalsContact C-N 3.3Å; C106-R108 PolarHBondContact O-N 3.18Å
109	N	87.7	Confident	92.9	Very high	56 Å²	56	52.5 Å²	52.5	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-117.2	2.4	-167.1	-58.2	-38.8	0	0	0	113.3	A146 Q147	N109-A146 PolarHBondContact ND2-O 3.08Å; N109-Q147 WeakPolarHBondContact CB-O 3.42Å; N109-Q147 PolarHBondContact OD1-OE1 3.24Å
110	G	91.1	Very high	92.3	Very high	31 Å²	31	60.8 Å²	60.8	32%	0.32	30%	0.295	S	S	.	.			trans	75.4	-178.9	-169.6	0	0	0	0	0	112.7	C106 K112	C106-G110 CarbonylContact O-C 3.59Å; C106-G110 WeakPolarHBondContact O-CA 3.36Å; C106-G110 PolarHBondContact O-N 3.1Å; G110-K112 PolarHBondContact O-N 3.21Å; G110-K112 VanDerWaalsContact O-N 3.09Å
111	F	95.3	Very high	91.6	Very high	12 Å²	12	64.5 Å²	64.5	5%	0.053	33%	0.334	C	S	.	.	S	Bend	trans	-78.4	97.9	-179.3	-171.7	-101.8	0	0	0	111.2	V113 F140 C149 L150 L424 I427 Q428 V431	F111-V113 HydrophobicContact CE1-CG2 4.28Å; F111-F140 AromaticContact CD1-CD1 3.46Å; F111-F140 HydrophobicContact CD1-CD1 3.46Å; F111-F140 VanDerWaalsContact CD1-CD1 3.46Å; F111-F140 AromaticContact CD1-CE1 3.49Å; F111-F140 HydrophobicContact CD1-CE1 3.49Å; F111-F140 VanDerWaalsContact CD1-CE1 3.49Å; F111-F140 AromaticContact CE1-CD1 3.78Å; F111-F140 HydrophobicContact CE1-CD1 3.78Å; F111-F140 AromaticContact CE1-CE1 3.78Å; F111-F140 HydrophobicContact CE1-CE1 3.78Å; F111-C149 WeakPolarHBondContact CD2-SG 3.49Å; F111-L150 HydrophobicContact CE2-CB 4.47Å; F111-L150 HydrophobicContact CZ-CD2 4.05Å; F111-L424 HydrophobicContact CE1-CB 4.37Å; F111-L424 WeakPolarHBondContact CE1-O 3.38Å; F111-I427 HydrophobicContact CE2-CB 4.36Å; F111-I427 HydrophobicContact CE2-CG2 3.66Å; F111-I427 HydrophobicContact CZ-CB 3.99Å; F111-I427 HydrophobicContact CZ-CG2 3.74Å; F111-Q428 HydrophobicContact CB-CG 4.05Å; F111-Q428 HydrophobicContact CD1-CB 3.7Å; F111-Q428 HydrophobicContact CD1-CG 3.98Å; F111-Q428 HydrophobicContact CD2-CB 4.49Å; F111-Q428 HydrophobicContact CE1-CB 3.9Å; F111-Q428 HydrophobicContact CG-CB 4.01Å; F111-Q428 HydrophobicContact CG-CG 4.01Å; F111-Q428 HydrophobicContact CZ-CB 4.38Å; F111-V431 HydrophobicContact CD2-CB 4.39Å; F111-V431 HydrophobicContact CD2-CG1 4.43Å; F111-V431 HydrophobicContact CD2-CG2 4.11Å; F111-V431 HydrophobicContact CE2-CG2 4.13Å
112	K	97	Very high	90.9	Very high	72 Å²	72	66.8 Å²	66.8	31%	0.313	35%	0.345	S	S	.	.			trans	-125.7	145.7	-179.9	-67.6	-64.4	-174	173.3	0	112.1	G110 R139 F140 T142 Q147 C149 L150	G110-K112 PolarHBondContact O-N 3.21Å; G110-K112 VanDerWaalsContact O-N 3.09Å; K112-R139 PolarHBondContact NZ-O 3.35Å; K112-F140 CarbonylContact C-O 3.51Å; K112-F140 VanDerWaalsContact CA-O 3.25Å; K112-F140 WeakPolarHBondContact CA-O 3.42Å; K112-F140 VanDerWaalsContact CD-O 3.3Å; K112-F140 WeakPolarHBondContact CD-O 3.32Å; K112-T142 HydrophobicContact CB-CG2 3.89Å; K112-Q147 WeakPolarHBondContact CB-O 3.47Å; K112-C149 PolarHBondContact N-SG 2.83Å; K112-C149 PolarHBondContact O-N 3.17Å; K112-C149 PolarHBondContact O-SG 3.14Å; K112-L150 PolarHBondContact O-N 3.12Å; K112-L150 VanDerWaalsContact O-N 3.15Å
113	V	98.1	Very high	90.5	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.4	-172.6	-174.8	0	0	0	0	109.8	F111 I135 F140 Y141 T142 L150 V152 L424	F111-V113 HydrophobicContact CE1-CG2 4.28Å; V113-I135 HydrophobicContact CB-CG2 4.15Å; V113-I135 HydrophobicContact CG1-CG2 3.67Å; V113-F140 HydrophobicContact CB-CB 4.32Å; V113-F140 HydrophobicContact CG2-CB 3.81Å; V113-F140 PolarHBondContact N-O 2.99Å; V113-Y141 WeakPolarHBondContact O-CA 3.37Å; V113-T142 PolarHBondContact O-N 2.79Å; V113-L150 CarbonylContact C-O 3.6Å; V113-L150 VanDerWaalsContact CA-O 3.31Å; V113-L150 WeakPolarHBondContact CA-O 3.06Å; V113-L150 HydrophobicContact CG1-CD2 4.5Å; V113-L150 HydrophobicContact CG2-CB 4.19Å; V113-L150 HydrophobicContact CG2-CD2 4.09Å; V113-V152 HydrophobicContact CG1-CG2 3.64Å; V113-L424 HydrophobicContact CG2-CD1 4.31Å; V113-L424 HydrophobicContact CG2-CD2 3.97Å
114	Y	98.1	Very high	90.3	Very high	31 Å²	31	72.5 Å²	72.5	12%	0.122	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.3	173.6	176.5	-97.4	0	0	0	110.6	Y116 P117 P143 P145 L150 F151 V152 L180	Y114-Y116 HydrophobicContact CD1-CD2 4.47Å; Y114-Y116 HydrophobicContact CE1-CD2 4.39Å; Y114-Y116 HydrophobicContact CE1-CG 4.26Å; Y114-P117 WeakPolarHBondContact OH-CD 3.44Å; Y114-P143 WeakPolarHBondContact CE2-O 3.32Å; Y114-P145 HydrophobicContact CD1-CB 4.23Å; Y114-P145 HydrophobicContact CD2-CB 3.98Å; Y114-P145 HydrophobicContact CE1-CB 4.19Å; Y114-P145 HydrophobicContact CE2-CB 3.98Å; Y114-P145 HydrophobicContact CE2-CG 4.19Å; Y114-P145 HydrophobicContact CG-CB 4.1Å; Y114-L150 PolarHBondContact N-O 3.04Å; Y114-F151 AromaticContact CD1-CD1 3.77Å; Y114-F151 HydrophobicContact CD1-CD1 3.77Å; Y114-F151 HydrophobicContact CD1-CE1 4.11Å; Y114-F151 HydrophobicContact CG-CD1 4.31Å; Y114-F151 HydrophobicContact CG-CE1 4.4Å; Y114-F151 WeakPolarHBondContact O-CA 3.34Å; Y114-V152 PolarHBondContact O-N 3.11Å; Y114-L180 HydrophobicContact CE1-CD1 4.29Å
115	V	97.8	Very high	90.4	Very high	8 Å²	8	70.9 Å²	70.9	5%	0.048	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127	172.6	-178.7	0	0	0	0	107.6	L132 I135 E136 Y141 V152	V115-L132 HydrophobicContact CG1-CD1 4.39Å; V115-L132 HydrophobicContact CG1-CD2 3.89Å; V115-L132 HydrophobicContact CG1-CG 4.5Å; V115-I135 HydrophobicContact CG2-CB 4.2Å; V115-I135 HydrophobicContact CG2-CG2 3.75Å; V115-E136 HydrophobicContact CG2-CG 4.28Å; V115-Y141 HydrophobicContact CB-CE2 4.47Å; V115-Y141 HydrophobicContact CG2-CD2 4.45Å; V115-Y141 HydrophobicContact CG2-CE2 4.45Å; V115-V152 WeakPolarHBondContact CA-O 3.33Å; V115-V152 HydrophobicContact CG2-CB 4.37Å
116	Y	96.4	Very high	90.6	Very high	12 Å²	12	74.5 Å²	74.5	5%	0.047	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-58.8	149.1	176.5	-81.1	-103.4	0	0	0	110.9	Y114 F151 V152 L153 S154 L178 L180 W181 H187	Y114-Y116 HydrophobicContact CD1-CD2 4.47Å; Y114-Y116 HydrophobicContact CE1-CD2 4.39Å; Y114-Y116 HydrophobicContact CE1-CG 4.26Å; Y116-F151 HydrophobicContact CE2-CB 4.17Å; Y116-F151 HydrophobicContact CE2-CD1 4.5Å; Y116-V152 WeakPolarHBondContact CD2-O 3.5Å; Y116-V152 PolarHBondContact N-O 3.13Å; Y116-L153 HydrophobicContact CD2-CD2 4.4Å; Y116-L153 HydrophobicContact CE2-CD2 4.15Å; Y116-S154 VanDerWaalsContact O-CB 3.28Å; Y116-S154 WeakPolarHBondContact O-CB 3.29Å; Y116-L178 HydrophobicContact CD1-CD1 4.27Å; Y116-L178 HydrophobicContact CD1-CD2 4Å; Y116-L178 HydrophobicContact CE1-CB 3.82Å; Y116-L178 HydrophobicContact CE1-CD1 4.06Å; Y116-L178 HydrophobicContact CE1-CD2 4.12Å; Y116-L178 HydrophobicContact CE1-CG 4.22Å; Y116-L180 HydrophobicContact CE1-CB 4.09Å; Y116-L180 WeakPolarHBondContact OH-CA 3.49Å; Y116-L180 VanDerWaalsContact OH-CB 3.23Å; Y116-L180 WeakPolarHBondContact OH-CB 3.44Å; Y116-L180 PolarHBondContact OH-O 2.99Å; Y116-W181 PolarHBondContact OH-N 3.03Å; Y116-W181 VanDerWaalsContact OH-N 3.13Å; Y116-H187 AromaticContact CE2-NE2 3.62Å; Y116-H187 AromaticContact CZ-NE2 3.78Å; Y116-H187 PolarHBondContact OH-NE2 2.83Å
117	P	93.4	Very high	90.7	Very high	89 Å²	89	74.8 Å²	74.8	58%	0.578	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-66.4	146.3	173.5	27.7	-34.1	0	0	0	110.5	Y114 Q119 S154	Y114-P117 WeakPolarHBondContact OH-CD 3.44Å; P117-Q119 PolarHBondContact O-N 3.22Å; P117-S154 WeakPolarHBondContact O-CB 3.47Å; P117-S154 PolarHBondContact O-OG 2.86Å
118	Q	89.8	Confident	91	Very high	111 Å²	111	67.2 Å²	67.2	52%	0.519	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-68.5	131.1	175.9	-170.2	176.7	-2.3	0	0	110.6	E122	Q118-E122 PolarHBondContact NE2-O 2.92Å
119	Q	83.5	Confident	91.4	Very high	64 Å²	64	61 Å²	61	30%	0.299	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-76.7	140.9	177.5	-65.4	-173.6	-13.9	0	0	111	P117 G121 E122	P117-Q119 PolarHBondContact O-N 3.22Å; Q119-G121 PolarHBondContact O-N 2.71Å; Q119-E122 HydrophobicContact CB-CG 4.05Å; Q119-E122 PolarHBondContact O-N 2.79Å
120	K	79.4	Confident	91.9	Very high	215 Å²	215	59.5 Å²	59.5	94%	0.935	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	125.7	-179.8	-70.1	-177.4	179.8	178.5	0	110.5
121	G	78.4	Confident	92.2	Very high	80 Å²	80	58 Å²	58	83%	0.825	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-9.8	176.3	0	0	0	0	0	115.3	Q119	Q119-G121 PolarHBondContact O-N 2.71Å
122	E	81.3	Confident	92.3	Very high	54 Å²	54	57.9 Å²	57.9	25%	0.252	30%	0.295	S	S	.	.			trans	-84.3	124.1	176.7	-65.7	-67.4	150.5	0	0	111	Q118 Q119 K174	Q118-E122 PolarHBondContact NE2-O 2.92Å; Q119-E122 HydrophobicContact CB-CG 4.05Å; Q119-E122 PolarHBondContact O-N 2.79Å; E122-K174 WeakPolarHBondContact OE1-CE 3.41Å; E122-K174 IonicContact OE1-NZ 3.96Å; E122-K174 PolarHBondContact OE1-NZ 3Å; E122-K174 IonicContact OE2-NZ 2.9Å; E122-K174 PolarHBondContact OE2-NZ 3.34Å
123	K	86.3	Confident	92.2	Very high	193 Å²	193	56.3 Å²	56.3	84%	0.839	29%	0.291	S	S	*	.			trans	-92.2	132.8	172.9	-66.9	-177.1	179.7	179.6	0	109.3
124	I	92	Very high	92.1	Very high	35 Å²	35	56.5 Å²	56.5	18%	0.179	29%	0.293	C	S	.	.			trans	-111.6	150.6	174.2	58	174.1	0	0	0	110.2	Y128 Q129 L132 D156	I124-Y128 HydrophobicContact CB-CD1 4.35Å; I124-Y128 HydrophobicContact CG2-CD1 4.33Å; I124-Q129 HydrophobicContact CD1-CB 4.07Å; I124-Q129 HydrophobicContact CG1-CB 4.48Å; I124-L132 HydrophobicContact CD1-CD1 4.17Å; I124-D156 HydrophobicContact CB-CB 4.35Å; I124-D156 HydrophobicContact CG2-CB 4.13Å
125	S	93.8	Very high	92.1	Very high	10 Å²	10	55 Å²	55	7%	0.07	29%	0.287	C	S	.	.			trans	-66.9	152.9	175.6	68.5	0	0	0	0	111.1	S127 Y128 Q129 D156	S125-S127 PolarHBondContact O-N 3.18Å; S125-Y128 PolarHBondContact O-N 2.97Å; S125-Y128 VanDerWaalsContact O-N 3.14Å; S125-Y128 WeakPolarHBondContact OG-CB 3.43Å; S125-Y128 PolarHBondContact OG-N 3.11Å; S125-Y128 VanDerWaalsContact OG-N 3.14Å; S125-Q129 PolarHBondContact O-N 2.95Å; S125-D156 WeakPolarHBondContact CA-OD2 3.21Å; S125-D156 WeakPolarHBondContact CB-OD2 3.22Å; S125-D156 PolarHBondContact N-OD2 3.32Å; S125-D156 PolarHBondContact OG-OD2 2.77Å
126	E	93.8	Very high	92	Very high	132 Å²	132	58.4 Å²	58.4	62%	0.617	30%	0.302	S	S	*	.	H	α-helix	trans	-57.5	-38.1	174.5	-175.4	179.4	-175.5	0	0	111.7	Y128 Q129 N130	E126-Y128 PolarHBondContact O-N 3.33Å; E126-Q129 PolarHBondContact O-N 3.2Å; E126-N130 WeakPolarHBondContact O-CB 3.46Å; E126-N130 PolarHBondContact O-N 3.24Å; E126-N130 PolarHBondContact O-ND2 3.33Å
127	S	95	Very high	91.8	Very high	10 Å²	10	60.4 Å²	60.4	7%	0.07	33%	0.327	C	S	.	.	H	α-helix	trans	-63.7	-40.4	176.6	-59.2	0	0	0	0	112.5	S125 N130 I131	S125-S127 PolarHBondContact O-N 3.18Å; S127-N130 PolarHBondContact O-N 3.43Å; S127-I131 PolarHBondContact O-N 2.81Å
128	Y	96.3	Very high	91.8	Very high	1 Å²	1	57 Å²	57	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-71.9	-40.9	176.6	-163.6	-116.8	0	0	0	111.9	I124 S125 E126 N130 I131 L132 L153 L155 D156 L158 F190	I124-Y128 HydrophobicContact CB-CD1 4.35Å; I124-Y128 HydrophobicContact CG2-CD1 4.33Å; S125-Y128 PolarHBondContact O-N 2.97Å; S125-Y128 VanDerWaalsContact O-N 3.14Å; S125-Y128 WeakPolarHBondContact OG-CB 3.43Å; S125-Y128 PolarHBondContact OG-N 3.11Å; S125-Y128 VanDerWaalsContact OG-N 3.14Å; E126-Y128 PolarHBondContact O-N 3.33Å; Y128-N130 VanDerWaalsContact C-N 3.25Å; Y128-N130 PolarHBondContact O-N 3.17Å; Y128-I131 HydrophobicContact CD2-CD1 4.37Å; Y128-I131 WeakPolarHBondContact O-CB 3.41Å; Y128-I131 PolarHBondContact O-N 3.44Å; Y128-L132 HydrophobicContact CD1-CD1 3.98Å; Y128-L132 HydrophobicContact CD1-CG 4.15Å; Y128-L132 HydrophobicContact CE1-CD1 3.79Å; Y128-L132 HydrophobicContact CE1-CD2 4Å; Y128-L132 HydrophobicContact CE1-CG 3.99Å; Y128-L132 PolarHBondContact O-N 3.27Å; Y128-L153 PolarHBondContact OH-O 3.36Å; Y128-L155 VanDerWaalsContact CE1-O 3.26Å; Y128-L155 WeakPolarHBondContact CE1-O 3.25Å; Y128-L155 VanDerWaalsContact CZ-O 3.25Å; Y128-L155 PolarHBondContact OH-O 3.38Å; Y128-D156 WeakPolarHBondContact CB-OD2 3.44Å; Y128-D156 HydrophobicContact CD1-CB 4Å; Y128-D156 HydrophobicContact CG-CB 4.22Å; Y128-L158 HydrophobicContact CD2-CD1 3.97Å; Y128-L158 HydrophobicContact CD2-CD2 3.71Å; Y128-L158 HydrophobicContact CD2-CG 3.51Å; Y128-L158 HydrophobicContact CE2-CD2 4.21Å; Y128-L158 HydrophobicContact CE2-CG 4.37Å; Y128-L158 HydrophobicContact CG-CD1 4.38Å; Y128-L158 HydrophobicContact CG-CG 4.18Å; Y128-F190 HydrophobicContact CE2-CB 4.44Å
129	Q	95.8	Very high	91.9	Very high	66 Å²	66	55.4 Å²	55.4	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-56.1	-42.2	172.5	-176.7	64.3	66.6	0	0	111.5	I124 S125 E126 I131 L132 T133	I124-Q129 HydrophobicContact CD1-CB 4.07Å; I124-Q129 HydrophobicContact CG1-CB 4.48Å; S125-Q129 PolarHBondContact O-N 2.95Å; E126-Q129 PolarHBondContact O-N 3.2Å; Q129-I131 VanDerWaalsContact C-N 3.3Å; Q129-I131 PolarHBondContact O-N 2.51Å; Q129-L132 PolarHBondContact O-N 2.98Å; Q129-T133 PolarHBondContact NE2-OG1 3.37Å; Q129-T133 WeakPolarHBondContact O-CB 3.2Å; Q129-T133 PolarHBondContact O-N 3.48Å; Q129-T133 PolarHBondContact O-OG1 2.91Å; Q129-T133 VanDerWaalsContact O-OG1 3.09Å
130	N	96.4	Very high	92.4	Very high	23 Å²	23	52.4 Å²	52.4	12%	0.123	28%	0.28	C	S	.	.	H	α-helix	trans	-61.7	-37.2	176.4	-75.3	-22.3	0	0	0	112.4	E126 S127 Y128 S134 R240 V416	E126-N130 WeakPolarHBondContact O-CB 3.46Å; E126-N130 PolarHBondContact O-N 3.24Å; E126-N130 PolarHBondContact O-ND2 3.33Å; S127-N130 PolarHBondContact O-N 3.43Å; Y128-N130 VanDerWaalsContact C-N 3.25Å; Y128-N130 PolarHBondContact O-N 3.17Å; N130-S134 WeakPolarHBondContact O-CB 3.2Å; N130-S134 PolarHBondContact O-N 3.02Å; N130-S134 VanDerWaalsContact O-N 3.1Å; N130-S134 PolarHBondContact O-OG 2.94Å; N130-R240 HydrophobicContact CB-CB 4.41Å; N130-R240 HydrophobicContact CB-CG 3.98Å; N130-R240 VanDerWaalsContact OD1-CD 3.32Å; N130-R240 WeakPolarHBondContact OD1-CD 3.49Å; N130-V416 HydrophobicContact CB-CB 4.49Å; N130-V416 HydrophobicContact CB-CG1 4.17Å; N130-V416 HydrophobicContact CB-CG2 4.49Å
131	I	97.9	Very high	93.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-64.4	-54.3	173.2	-68.7	167.4	0	0	0	110.1	S127 Y128 Q129 T133 S134 I135 L158 F190 F234 V416 V420	S127-I131 PolarHBondContact O-N 2.81Å; Y128-I131 HydrophobicContact CD2-CD1 4.37Å; Y128-I131 WeakPolarHBondContact O-CB 3.41Å; Y128-I131 PolarHBondContact O-N 3.44Å; Q129-I131 VanDerWaalsContact C-N 3.3Å; Q129-I131 PolarHBondContact O-N 2.51Å; I131-T133 PolarHBondContact O-N 3.18Å; I131-S134 WeakPolarHBondContact O-CB 3.37Å; I131-S134 PolarHBondContact O-N 3.23Å; I131-S134 VanDerWaalsContact O-N 3.08Å; I131-I135 HydrophobicContact CG2-CD1 4.2Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 3.44Å; I131-L158 HydrophobicContact CD1-CD1 4.01Å; I131-L158 HydrophobicContact CD1-CD2 3.72Å; I131-L158 HydrophobicContact CD1-CG 4.44Å; I131-F190 HydrophobicContact CD1-CB 4.12Å; I131-F190 HydrophobicContact CD1-CD1 4.22Å; I131-F190 HydrophobicContact CD1-CG 4.22Å; I131-F190 HydrophobicContact CG2-CD1 4.29Å; I131-F190 HydrophobicContact CG2-CD2 3.96Å; I131-F190 HydrophobicContact CG2-CE1 4.33Å; I131-F190 HydrophobicContact CG2-CE2 4Å; I131-F190 HydrophobicContact CG2-CG 4.12Å; I131-F190 HydrophobicContact CG2-CZ 4.18Å; I131-F234 HydrophobicContact CD1-CZ 4.14Å; I131-F234 HydrophobicContact CG1-CZ 4.34Å; I131-V416 HydrophobicContact CG1-CG1 3.79Å; I131-V420 HydrophobicContact CB-CG2 4.18Å; I131-V420 HydrophobicContact CG1-CG2 3.98Å; I131-V420 HydrophobicContact CG2-CG2 3.87Å
132	L	97.3	Very high	94.1	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-47.3	-177.1	-62.4	-172.8	0	0	0	111.6	V115 I124 Y128 Q129 S134 I135 E136 V152	V115-L132 HydrophobicContact CG1-CD1 4.39Å; V115-L132 HydrophobicContact CG1-CD2 3.89Å; V115-L132 HydrophobicContact CG1-CG 4.5Å; I124-L132 HydrophobicContact CD1-CD1 4.17Å; Y128-L132 HydrophobicContact CD1-CD1 3.98Å; Y128-L132 HydrophobicContact CD1-CG 4.15Å; Y128-L132 HydrophobicContact CE1-CD1 3.79Å; Y128-L132 HydrophobicContact CE1-CD2 4Å; Y128-L132 HydrophobicContact CE1-CG 3.99Å; Y128-L132 PolarHBondContact O-N 3.27Å; Q129-L132 PolarHBondContact O-N 2.98Å; L132-S134 VanDerWaalsContact C-N 3.28Å; L132-S134 PolarHBondContact O-N 3.18Å; L132-I135 WeakPolarHBondContact O-CB 3.39Å; L132-I135 PolarHBondContact O-N 2.97Å; L132-E136 WeakPolarHBondContact O-CG 3.5Å; L132-E136 PolarHBondContact O-N 2.72Å; L132-V152 HydrophobicContact CD2-CG1 3.94Å
133	T	95.8	Very high	94.8	Very high	38 Å²	38	44.4 Å²	44.4	23%	0.233	23%	0.232	C	C	.	.	H	α-helix	trans	-65.7	-30.3	178.5	-59.3	0	0	0	0	112.7	Q129 I131 I135 G137	Q129-T133 PolarHBondContact NE2-OG1 3.37Å; Q129-T133 WeakPolarHBondContact O-CB 3.2Å; Q129-T133 PolarHBondContact O-N 3.48Å; Q129-T133 PolarHBondContact O-OG1 2.91Å; Q129-T133 VanDerWaalsContact O-OG1 3.09Å; I131-T133 PolarHBondContact O-N 3.18Å; T133-I135 VanDerWaalsContact C-N 3.34Å; T133-G137 PolarHBondContact O-N 3.03Å
134	S	96.5	Very high	95.3	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.035	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-36.3	172.7	-60.2	0	0	0	0	111.8	N130 I131 L132 S138 E417	N130-S134 WeakPolarHBondContact O-CB 3.2Å; N130-S134 PolarHBondContact O-N 3.02Å; N130-S134 VanDerWaalsContact O-N 3.1Å; N130-S134 PolarHBondContact O-OG 2.94Å; I131-S134 WeakPolarHBondContact O-CB 3.37Å; I131-S134 PolarHBondContact O-N 3.23Å; I131-S134 VanDerWaalsContact O-N 3.08Å; L132-S134 VanDerWaalsContact C-N 3.28Å; L132-S134 PolarHBondContact O-N 3.18Å; S134-S138 WeakPolarHBondContact O-CB 3.5Å; S134-S138 PolarHBondContact O-N 2.91Å; S134-E417 WeakPolarHBondContact OG-CA 3.5Å
135	I	97.4	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.3	-51.2	174.6	-60.5	178.2	0	0	0	109.8	V113 V115 I131 L132 T133 G137 S138 Y141 V152 F190 V420 L424	V113-I135 HydrophobicContact CB-CG2 4.15Å; V113-I135 HydrophobicContact CG1-CG2 3.67Å; V115-I135 HydrophobicContact CG2-CB 4.2Å; V115-I135 HydrophobicContact CG2-CG2 3.75Å; I131-I135 HydrophobicContact CG2-CD1 4.2Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 3.44Å; L132-I135 WeakPolarHBondContact O-CB 3.39Å; L132-I135 PolarHBondContact O-N 2.97Å; T133-I135 VanDerWaalsContact C-N 3.34Å; I135-G137 VanDerWaalsContact C-N 3.28Å; I135-G137 PolarHBondContact O-N 2.94Å; I135-S138 VanDerWaalsContact O-CB 3.26Å; I135-S138 WeakPolarHBondContact O-CB 3.24Å; I135-S138 PolarHBondContact O-N 2.8Å; I135-S138 PolarHBondContact O-OG 3.08Å; I135-Y141 WeakPolarHBondContact O-CB 3.15Å; I135-V152 HydrophobicContact CD1-CB 4.4Å; I135-V152 HydrophobicContact CD1-CG1 4.05Å; I135-V152 HydrophobicContact CD1-CG2 3.92Å; I135-F190 HydrophobicContact CD1-CE2 4.11Å; I135-F190 HydrophobicContact CD1-CZ 4.43Å; I135-V420 HydrophobicContact CD1-CG1 4.16Å; I135-V420 HydrophobicContact CG1-CG1 3.42Å; I135-V420 VanDerWaalsContact CG1-CG1 3.42Å; I135-L424 HydrophobicContact CG1-CD1 4.39Å
136	E	95.4	Very high	95.5	Very high	78 Å²	78	41.9 Å²	41.9	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-59.1	-36.3	-179.3	-69	171.1	154.8	0	0	113	V115 L132 S138 Y141	V115-E136 HydrophobicContact CG2-CG 4.28Å; L132-E136 WeakPolarHBondContact O-CG 3.5Å; L132-E136 PolarHBondContact O-N 2.72Å; E136-S138 VanDerWaalsContact C-N 3.27Å; E136-S138 PolarHBondContact O-N 3.33Å; E136-Y141 HydrophobicContact CB-CD2 4.34Å; E136-Y141 HydrophobicContact CB-CE2 4.43Å; E136-Y141 HydrophobicContact CB-CG 4.48Å; E136-Y141 HydrophobicContact CG-CD2 4.08Å; E136-Y141 HydrophobicContact CG-CE2 3.85Å; E136-Y141 WeakPolarHBondContact O-CB 3.4Å
137	G	92	Very high	95.6	Very high	54 Å²	54	39.3 Å²	39.3	56%	0.557	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.3	175.9	0	0	0	0	0	114.7	T133 I135	T133-G137 PolarHBondContact O-N 3.03Å; I135-G137 VanDerWaalsContact C-N 3.28Å; I135-G137 PolarHBondContact O-N 2.94Å
138	S	93.6	Very high	95.7	Very high	19 Å²	19	38.9 Å²	38.9	13%	0.133	22%	0.224	C	C	.	.	S	Bend	trans	-87.2	162.6	-174.4	80.6	0	0	0	0	113.5	S134 I135 E136 F140 Y141 L421	S134-S138 WeakPolarHBondContact O-CB 3.5Å; S134-S138 PolarHBondContact O-N 2.91Å; I135-S138 VanDerWaalsContact O-CB 3.26Å; I135-S138 WeakPolarHBondContact O-CB 3.24Å; I135-S138 PolarHBondContact O-N 2.8Å; I135-S138 PolarHBondContact O-OG 3.08Å; E136-S138 VanDerWaalsContact C-N 3.27Å; E136-S138 PolarHBondContact O-N 3.33Å; S138-F140 PolarHBondContact O-N 2.91Å; S138-F140 VanDerWaalsContact O-N 3.1Å; S138-F140 WeakPolarHBondContact OG-CB 3.26Å; S138-F140 PolarHBondContact OG-N 3.15Å; S138-Y141 PolarHBondContact O-N 2.72Å; S138-L421 VanDerWaalsContact CB-CD2 3.5Å
139	R	91.7	Very high	95.6	Very high	76 Å²	76	38.8 Å²	38.8	29%	0.287	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.7	171.7	62.9	176.8	-171.6	73.2	-8.4	114.6	K112 E425	K112-R139 PolarHBondContact NZ-O 3.35Å; R139-E425 IonicContact CZ-OE1 2.87Å; R139-E425 IonicContact NE-OE1 3.43Å; R139-E425 IonicContact NH2-OE1 3.83Å; R139-E425 PolarHBondContact NH2-OE1 3.11Å; R139-E425 IonicContact NH2-OE2 2.77Å; R139-E425 PolarHBondContact NH2-OE2 2.9Å
140	F	94.6	Very high	95.7	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-25.3	-178.7	-59.4	-71.9	0	0	0	112.6	F111 K112 V113 S138 L421 L424 E425 Q428	F111-F140 AromaticContact CD1-CD1 3.46Å; F111-F140 HydrophobicContact CD1-CD1 3.46Å; F111-F140 VanDerWaalsContact CD1-CD1 3.46Å; F111-F140 AromaticContact CD1-CE1 3.49Å; F111-F140 HydrophobicContact CD1-CE1 3.49Å; F111-F140 VanDerWaalsContact CD1-CE1 3.49Å; F111-F140 AromaticContact CE1-CD1 3.78Å; F111-F140 HydrophobicContact CE1-CD1 3.78Å; F111-F140 AromaticContact CE1-CE1 3.78Å; F111-F140 HydrophobicContact CE1-CE1 3.78Å; K112-F140 CarbonylContact C-O 3.51Å; K112-F140 VanDerWaalsContact CA-O 3.25Å; K112-F140 WeakPolarHBondContact CA-O 3.42Å; K112-F140 VanDerWaalsContact CD-O 3.3Å; K112-F140 WeakPolarHBondContact CD-O 3.32Å; V113-F140 HydrophobicContact CB-CB 4.32Å; V113-F140 HydrophobicContact CG2-CB 3.81Å; V113-F140 PolarHBondContact N-O 2.99Å; S138-F140 PolarHBondContact O-N 2.91Å; S138-F140 VanDerWaalsContact O-N 3.1Å; S138-F140 WeakPolarHBondContact OG-CB 3.26Å; S138-F140 PolarHBondContact OG-N 3.15Å; F140-L421 HydrophobicContact CD2-CD2 4.2Å; F140-L421 HydrophobicContact CE2-CD2 4.14Å; F140-L424 HydrophobicContact CB-CD1 4.23Å; F140-L424 HydrophobicContact CD2-CB 4.01Å; F140-L424 HydrophobicContact CD2-CD1 3.63Å; F140-L424 HydrophobicContact CD2-CG 4.49Å; F140-L424 HydrophobicContact CE2-CB 3.81Å; F140-L424 HydrophobicContact CE2-CD1 4.22Å; F140-L424 HydrophobicContact CG-CD1 4.14Å; F140-L424 HydrophobicContact CZ-CB 4.15Å; F140-E425 HydrophobicContact CE2-CG 4.33Å; F140-E425 HydrophobicContact CZ-CG 3.95Å; F140-Q428 VanDerWaalsContact CE1-OE1 3.26Å
141	Y	96.5	Very high	95.8	Very high	74 Å²	74	35.4 Å²	35.4	29%	0.29	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-62.1	142.6	-173.3	177.7	-111.9	0	0	0	113.1	V113 V115 I135 E136 S138 P143	V113-Y141 WeakPolarHBondContact O-CA 3.37Å; V115-Y141 HydrophobicContact CB-CE2 4.47Å; V115-Y141 HydrophobicContact CG2-CD2 4.45Å; V115-Y141 HydrophobicContact CG2-CE2 4.45Å; I135-Y141 WeakPolarHBondContact O-CB 3.15Å; E136-Y141 HydrophobicContact CB-CD2 4.34Å; E136-Y141 HydrophobicContact CB-CE2 4.43Å; E136-Y141 HydrophobicContact CB-CG 4.48Å; E136-Y141 HydrophobicContact CG-CD2 4.08Å; E136-Y141 HydrophobicContact CG-CE2 3.85Å; E136-Y141 WeakPolarHBondContact O-CB 3.4Å; S138-Y141 PolarHBondContact O-N 2.72Å; Y141-P143 HydrophobicContact CE1-CB 4.26Å
142	T	96.2	Very high	95.8	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.086	21%	0.206	C	C	.	.			trans	-136.8	135.2	163.9	178.3	0	0	0	0	109.7	K112 V113 D144 Q147 A148	K112-T142 HydrophobicContact CB-CG2 3.89Å; V113-T142 PolarHBondContact O-N 2.79Å; T142-D144 VanDerWaalsContact C-N 3.27Å; T142-D144 WeakPolarHBondContact CG2-O 3.29Å; T142-D144 PolarHBondContact OG1-N 2.98Å; T142-D144 PolarHBondContact OG1-O 3.14Å; T142-Q147 HydrophobicContact CG2-CB 4.34Å; T142-A148 HydrophobicContact CG2-CB 3.74Å
143	P	95.9	Very high	95.8	Very high	94 Å²	94	35 Å²	35	61%	0.61	20%	0.204	S	C	*	.	S	Bend	trans	-77.7	-14.6	171.1	33.2	-35.6	0	0	0	112.5	Y114 Y141	Y114-P143 WeakPolarHBondContact CE2-O 3.32Å; Y141-P143 HydrophobicContact CE1-CB 4.26Å
144	D	96.6	Very high	95.7	Very high	71 Å²	71	33.4 Å²	33.4	38%	0.38	20%	0.195	S	C	.	.			trans	-95.6	115.2	178.9	-178.5	1.3	0	0	0	110.4	T142 A146 Q147	T142-D144 VanDerWaalsContact C-N 3.27Å; T142-D144 WeakPolarHBondContact CG2-O 3.29Å; T142-D144 PolarHBondContact OG1-N 2.98Å; T142-D144 PolarHBondContact OG1-O 3.14Å; D144-A146 PolarHBondContact O-N 2.92Å; D144-A146 WeakPolarHBondContact OD1-CB 3.49Å; D144-A146 PolarHBondContact OD1-N 3.4Å; D144-Q147 HydrophobicContact CB-CB 4.37Å; D144-Q147 HydrophobicContact CB-CG 4.08Å; D144-Q147 PolarHBondContact O-N 3.3Å; D144-Q147 WeakPolarHBondContact OD2-CG 3.32Å
145	P	96	Very high	95.6	Very high	44 Å²	44	33.4 Å²	33.4	29%	0.286	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-65.3	-24	178.2	27.4	-34.4	0	0	0	113.3	Y114 Q147 A148 F151 L180	Y114-P145 HydrophobicContact CD1-CB 4.23Å; Y114-P145 HydrophobicContact CD2-CB 3.98Å; Y114-P145 HydrophobicContact CE1-CB 4.19Å; Y114-P145 HydrophobicContact CE2-CB 3.98Å; Y114-P145 HydrophobicContact CE2-CG 4.19Å; Y114-P145 HydrophobicContact CG-CB 4.1Å; P145-Q147 PolarHBondContact O-N 2.93Å; P145-A148 WeakPolarHBondContact O-CB 3.48Å; P145-A148 PolarHBondContact O-N 3.15Å; P145-F151 HydrophobicContact CB-CE1 4.18Å; P145-L180 HydrophobicContact CB-CD1 3.72Å; P145-L180 HydrophobicContact CG-CD1 4.37Å
146	A	94.6	Very high	95.4	Very high	69 Å²	69	33.6 Å²	33.6	57%	0.57	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-70.4	-22.3	177.8	0	0	0	0	0	112.7	N109 D144	N109-A146 PolarHBondContact ND2-O 3.08Å; D144-A146 PolarHBondContact O-N 2.92Å; D144-A146 WeakPolarHBondContact OD1-CB 3.49Å; D144-A146 PolarHBondContact OD1-N 3.4Å
147	Q	95.9	Very high	95.4	Very high	78 Å²	78	30 Å²	30	36%	0.364	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-89.1	-9.9	175.7	-63.6	-62.2	-39.6	0	0	112.6	N109 K112 T142 D144 P145	N109-Q147 WeakPolarHBondContact CB-O 3.42Å; N109-Q147 PolarHBondContact OD1-OE1 3.24Å; K112-Q147 WeakPolarHBondContact CB-O 3.47Å; T142-Q147 HydrophobicContact CG2-CB 4.34Å; D144-Q147 HydrophobicContact CB-CB 4.37Å; D144-Q147 HydrophobicContact CB-CG 4.08Å; D144-Q147 PolarHBondContact O-N 3.3Å; D144-Q147 WeakPolarHBondContact OD2-CG 3.32Å; P145-Q147 PolarHBondContact O-N 2.93Å
148	A	96.9	Very high	95.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	15%	0.152	C	C	.	.			trans	-87.1	146.4	-171.8	0	0	0	0	0	112.4	T142 P145 F151	T142-A148 HydrophobicContact CG2-CB 3.74Å; P145-A148 WeakPolarHBondContact O-CB 3.48Å; P145-A148 PolarHBondContact O-N 3.15Å; A148-F151 HydrophobicContact CB-CE1 4.07Å; A148-F151 HydrophobicContact CB-CZ 3.95Å
149	C	95.3	Very high	95.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-114.4	-19.9	176.5	81.6	0	0	0	0	112.8	L105 C106 F111 K112 N186	L105-C149 HydrophobicContact CB-CB 4.2Å; C106-C149 HydrophobicContact CB-CB 4.04Å; C106-C149 WeakPolarHBondContact SG-CB 3.4Å; C106-C149 PolarHBondContact SG-SG 3.01Å; F111-C149 WeakPolarHBondContact CD2-SG 3.49Å; K112-C149 PolarHBondContact N-SG 2.83Å; K112-C149 PolarHBondContact O-N 3.17Å; K112-C149 PolarHBondContact O-SG 3.14Å; C149-N186 WeakPolarHBondContact O-CB 3.5Å; C149-N186 PolarHBondContact O-ND2 3.18Å
150	L	97.9	Very high	95.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.4	177.9	-174.8	73.9	0	0	0	109	F101 F111 K112 V113 Y114 N186 I188 M212 L424 I427	F101-L150 HydrophobicContact CE2-CD1 4.18Å; F111-L150 HydrophobicContact CE2-CB 4.47Å; F111-L150 HydrophobicContact CZ-CD2 4.05Å; K112-L150 PolarHBondContact O-N 3.12Å; K112-L150 VanDerWaalsContact O-N 3.15Å; V113-L150 CarbonylContact C-O 3.6Å; V113-L150 VanDerWaalsContact CA-O 3.31Å; V113-L150 WeakPolarHBondContact CA-O 3.06Å; V113-L150 HydrophobicContact CG1-CD2 4.5Å; V113-L150 HydrophobicContact CG2-CB 4.19Å; V113-L150 HydrophobicContact CG2-CD2 4.09Å; Y114-L150 PolarHBondContact N-O 3.04Å; L150-N186 CarbonylContact C-O 3.6Å; L150-N186 WeakPolarHBondContact CA-O 3.37Å; L150-N186 WeakPolarHBondContact CD1-O 3.36Å; L150-I188 HydrophobicContact CD1-CB 4.3Å; L150-I188 HydrophobicContact CD1-CG2 4.25Å; L150-I188 HydrophobicContact CD2-CG2 3.92Å; L150-I188 HydrophobicContact CG-CG2 4.09Å; L150-M212 HydrophobicContact CD1-CE 3.33Å; L150-L424 HydrophobicContact CD2-CD2 3.8Å; L150-I427 HydrophobicContact CD2-CD1 4.22Å
151	F	98.3	Very high	95.4	Very high	18 Å²	18	25.3 Å²	25.3	8%	0.079	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.4	-174.3	-64.3	-94.5	0	0	0	111.3	L105 Y114 Y116 P145 A148 L180 N186 H187 I188	L105-F151 HydrophobicContact CD1-CE2 4.4Å; Y114-F151 AromaticContact CD1-CD1 3.77Å; Y114-F151 HydrophobicContact CD1-CD1 3.77Å; Y114-F151 HydrophobicContact CD1-CE1 4.11Å; Y114-F151 HydrophobicContact CG-CD1 4.31Å; Y114-F151 HydrophobicContact CG-CE1 4.4Å; Y114-F151 WeakPolarHBondContact O-CA 3.34Å; Y116-F151 HydrophobicContact CE2-CB 4.17Å; Y116-F151 HydrophobicContact CE2-CD1 4.5Å; P145-F151 HydrophobicContact CB-CE1 4.18Å; A148-F151 HydrophobicContact CB-CE1 4.07Å; A148-F151 HydrophobicContact CB-CZ 3.95Å; F151-L180 HydrophobicContact CD1-CD1 4.5Å; F151-L180 HydrophobicContact CE1-CD1 4.12Å; F151-N186 HydrophobicContact CD2-CB 4.21Å; F151-N186 PolarHBondContact N-O 2.78Å; F151-H187 VanDerWaalsContact CB-CD2 3.49Å; F151-H187 WeakPolarHBondContact CB-CD2 3.39Å; F151-H187 WeakPolarHBondContact CB-NE2 3.37Å; F151-H187 WeakPolarHBondContact O-CA 3.43Å; F151-I188 PolarHBondContact O-N 2.81Å
152	V	98.1	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.3	-178.3	-173.1	0	0	0	0	110.1	V113 Y114 V115 Y116 L132 I135 I188 F190	V113-V152 HydrophobicContact CG1-CG2 3.64Å; Y114-V152 PolarHBondContact O-N 3.11Å; V115-V152 WeakPolarHBondContact CA-O 3.33Å; V115-V152 HydrophobicContact CG2-CB 4.37Å; Y116-V152 WeakPolarHBondContact CD2-O 3.5Å; Y116-V152 PolarHBondContact N-O 3.13Å; L132-V152 HydrophobicContact CD2-CG1 3.94Å; I135-V152 HydrophobicContact CD1-CB 4.4Å; I135-V152 HydrophobicContact CD1-CG1 4.05Å; I135-V152 HydrophobicContact CD1-CG2 3.92Å; V152-I188 HydrophobicContact CG2-CG2 3.68Å; V152-F190 HydrophobicContact CG1-CD2 4.45Å; V152-F190 HydrophobicContact CG1-CE2 4.32Å
153	L	96.1	Very high	94.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.188	C	C	.	.			trans	-63.2	145.4	-178	-57	178.2	0	0	0	111.7	Y116 Y128 L155 T157 I175 L178 W181 I189	Y116-L153 HydrophobicContact CD2-CD2 4.4Å; Y116-L153 HydrophobicContact CE2-CD2 4.15Å; Y128-L153 PolarHBondContact OH-O 3.36Å; L153-L155 VanDerWaalsContact C-N 3.29Å; L153-T157 HydrophobicContact CD1-CG2 4.42Å; L153-I175 HydrophobicContact CD1-CD1 3.91Å; L153-I175 HydrophobicContact CD1-CG1 4.12Å; L153-L178 HydrophobicContact CD2-CD1 3.56Å; L153-W181 HydrophobicContact CD1-CZ3 4.2Å; L153-W181 HydrophobicContact CD2-CE3 3.95Å; L153-W181 HydrophobicContact CD2-CZ3 3.99Å; L153-W181 HydrophobicContact CG-CZ3 4.41Å; L153-I189 HydrophobicContact CD1-CG1 4.18Å
154	S	93.9	Very high	94.4	Very high	5 Å²	5	30 Å²	30	4%	0.035	17%	0.166	C	C	.	.	S	Bend	trans	-84.1	-6.4	167.5	51.8	0	0	0	0	113.6	Y116 P117	Y116-S154 VanDerWaalsContact O-CB 3.28Å; Y116-S154 WeakPolarHBondContact O-CB 3.29Å; P117-S154 WeakPolarHBondContact O-CB 3.47Å; P117-S154 PolarHBondContact O-OG 2.86Å
155	L	93.9	Very high	94	Very high	5 Å²	5	33 Å²	33	3%	0.026	19%	0.189	C	C	.	.	S	Bend	trans	-84.4	131.2	179.4	-60.4	169.7	0	0	0	109.9	Y128 L153 T157 L171 K174 I175 L178	Y128-L155 VanDerWaalsContact CE1-O 3.26Å; Y128-L155 WeakPolarHBondContact CE1-O 3.25Å; Y128-L155 VanDerWaalsContact CZ-O 3.25Å; Y128-L155 PolarHBondContact OH-O 3.38Å; L153-L155 VanDerWaalsContact C-N 3.29Å; L155-T157 PolarHBondContact O-N 3.32Å; L155-L171 HydrophobicContact CB-CD1 3.86Å; L155-L171 HydrophobicContact CD1-CD1 3.93Å; L155-L171 HydrophobicContact CG-CD1 4.44Å; L155-K174 HydrophobicContact CD1-CB 3.72Å; L155-K174 HydrophobicContact CD2-CB 4.44Å; L155-K174 HydrophobicContact CD2-CD 4.23Å; L155-I175 HydrophobicContact CD1-CG1 3.83Å; L155-L178 HydrophobicContact CD1-CD1 4.27Å
156	D	94.7	Very high	93.7	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	19%	0.193	C	C	.	.			trans	-68.6	119.1	-179.9	-163.7	-26.3	0	0	0	111.2	I124 S125 Y128 L158 V168	I124-D156 HydrophobicContact CB-CB 4.35Å; I124-D156 HydrophobicContact CG2-CB 4.13Å; S125-D156 WeakPolarHBondContact CA-OD2 3.21Å; S125-D156 WeakPolarHBondContact CB-OD2 3.22Å; S125-D156 PolarHBondContact N-OD2 3.32Å; S125-D156 PolarHBondContact OG-OD2 2.77Å; Y128-D156 WeakPolarHBondContact CB-OD2 3.44Å; Y128-D156 HydrophobicContact CD1-CB 4Å; Y128-D156 HydrophobicContact CG-CB 4.22Å; D156-L158 WeakPolarHBondContact OD1-CB 3.4Å; D156-L158 PolarHBondContact OD1-N 3.26Å; D156-V168 HydrophobicContact CB-CG2 4.03Å; D156-V168 VanDerWaalsContact O-CG2 3.31Å; D156-V168 WeakPolarHBondContact O-CG2 3.37Å
157	T	94.8	Very high	93.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.173	C	C	.	.			trans	-118.2	4.1	-178.4	48	0	0	0	0	112.6	L153 L155 L171 I189 F190 N191 F206	L153-T157 HydrophobicContact CD1-CG2 4.42Å; L155-T157 PolarHBondContact O-N 3.32Å; T157-L171 HydrophobicContact CG2-CD2 3.89Å; T157-I189 HydrophobicContact CG2-CG2 4.18Å; T157-F190 CarbonylContact C-O 3.5Å; T157-F190 PolarHBondContact OG1-O 3.15Å; T157-N191 PolarHBondContact O-ND2 2.77Å; T157-F206 HydrophobicContact CG2-CZ 4.2Å
158	L	95.3	Very high	93.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.159	C	C	.	.	S	Bend	trans	-68	-41.5	-174.1	-63	-168.5	0	0	0	112.8	Y128 I131 D156 F190 N191 L192 Y193	Y128-L158 HydrophobicContact CD2-CD1 3.97Å; Y128-L158 HydrophobicContact CD2-CD2 3.71Å; Y128-L158 HydrophobicContact CD2-CG 3.51Å; Y128-L158 HydrophobicContact CE2-CD2 4.21Å; Y128-L158 HydrophobicContact CE2-CG 4.37Å; Y128-L158 HydrophobicContact CG-CD1 4.38Å; Y128-L158 HydrophobicContact CG-CG 4.18Å; I131-L158 HydrophobicContact CD1-CD1 4.01Å; I131-L158 HydrophobicContact CD1-CD2 3.72Å; I131-L158 HydrophobicContact CD1-CG 4.44Å; D156-L158 WeakPolarHBondContact OD1-CB 3.4Å; D156-L158 PolarHBondContact OD1-N 3.26Å; L158-F190 HydrophobicContact CD2-CB 3.73Å; L158-F190 WeakPolarHBondContact CD2-O 3.11Å; L158-N191 PolarHBondContact O-ND2 3.22Å; L158-N191 VanDerWaalsContact O-ND2 3.1Å; L158-L192 HydrophobicContact CD1-CD1 4.13Å; L158-L192 HydrophobicContact CD2-CG 4.21Å; L158-L192 PolarHBondContact O-N 3.36Å; L158-Y193 PolarHBondContact O-N 3.38Å
159	D	94	Very high	92.9	Very high	17 Å²	17	36.1 Å²	36.1	9%	0.091	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-114.8	108.6	-175.6	-160.7	-13.3	0	0	0	111.5	D161 S164 Q166 Y193	D159-D161 WeakPolarHBondContact OD1-CB 3.48Å; D159-D161 PolarHBondContact OD1-N 3.23Å; D159-S164 VanDerWaalsContact CG-CB 3.5Å; D159-S164 VanDerWaalsContact CG-OG 3.32Å; D159-S164 WeakPolarHBondContact OD2-CB 2.98Å; D159-S164 PolarHBondContact OD2-OG 3.1Å; D159-Q166 HydrophobicContact CB-CB 4.17Å; D159-Y193 HydrophobicContact CB-CD2 4.17Å
160	R	92.3	Very high	92.6	Very high	8 Å²	8	42.4 Å²	42.4	3%	0.03	22%	0.221	C	C	.	.			trans	-109.6	18.2	177.5	-53.8	-53.6	-58.3	156.5	4.3	111.8	Y167 V168 Y193 L204	R160-Y167 VanDerWaalsContact NH2-CZ 3.35Å; R160-Y167 PolarHBondContact NH2-OH 3.27Å; R160-Y167 VanDerWaalsContact NH2-OH 3.11Å; R160-V168 PolarHBondContact NH1-O 3.13Å; R160-Y193 PolarHBondContact N-O 2.84Å; R160-L204 HydrophobicContact CG-CB 4.29Å; R160-L204 HydrophobicContact CG-CD2 4Å; R160-L204 PolarHBondContact NE-O 3.25Å; R160-L204 PolarHBondContact NH2-O 3.35Å
161	D	91	Very high	92.2	Very high	25 Å²	25	42.6 Å²	42.6	13%	0.134	22%	0.221	C	C	.	.			trans	-76.8	115.3	166	-170.4	-29.5	0	0	0	108.9	D159 L163 S164 Y167 T196 R338	D159-D161 WeakPolarHBondContact OD1-CB 3.48Å; D159-D161 PolarHBondContact OD1-N 3.23Å; D161-L163 PolarHBondContact O-N 3.29Å; D161-L163 VanDerWaalsContact O-N 3.12Å; D161-L163 WeakPolarHBondContact OD1-CB 3.27Å; D161-L163 PolarHBondContact OD1-N 3.29Å; D161-S164 WeakPolarHBondContact O-CB 3.31Å; D161-S164 PolarHBondContact O-N 2.96Å; D161-Y167 WeakPolarHBondContact O-CB 3.36Å; D161-Y167 WeakPolarHBondContact O-CD2 3.36Å; D161-T196 WeakPolarHBondContact OD1-CG2 3.44Å; D161-R338 IonicContact OD2-NH2 3Å
162	Q	89.6	Confident	91.8	Very high	132 Å²	132	47 Å²	47	62%	0.617	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19	-176.3	-64.2	178.4	-1.1	0	0	113.1	S164 Y167 T196	Q162-S164 VanDerWaalsContact C-N 3.32Å; Q162-Y167 HydrophobicContact CG-CD2 4.45Å; Q162-Y167 HydrophobicContact CG-CE1 4.48Å; Q162-Y167 HydrophobicContact CG-CE2 3.89Å; Q162-T196 HydrophobicContact CB-CG2 4.28Å; Q162-T196 PolarHBondContact N-OG1 2.93Å
163	L	88.5	Confident	91.5	Very high	130 Å²	130	49.9 Å²	49.9	68%	0.681	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.3	175.8	-57.6	175.5	0	0	0	112.2	D161 T196	D161-L163 PolarHBondContact O-N 3.29Å; D161-L163 VanDerWaalsContact O-N 3.12Å; D161-L163 WeakPolarHBondContact OD1-CB 3.27Å; D161-L163 PolarHBondContact OD1-N 3.29Å; L163-T196 HydrophobicContact CD1-CG2 3.93Å; L163-T196 HydrophobicContact CG-CG2 3.76Å
164	S	88.9	Confident	91.3	Very high	20 Å²	20	52 Å²	52	14%	0.14	27%	0.274	C	S	.	.	S	Bend	trans	-76.5	137.6	179.9	-176.9	0	0	0	0	111.4	D159 D161 Q162 Q166 Y167	D159-S164 VanDerWaalsContact CG-CB 3.5Å; D159-S164 VanDerWaalsContact CG-OG 3.32Å; D159-S164 WeakPolarHBondContact OD2-CB 2.98Å; D159-S164 PolarHBondContact OD2-OG 3.1Å; D161-S164 WeakPolarHBondContact O-CB 3.31Å; D161-S164 PolarHBondContact O-N 2.96Å; Q162-S164 VanDerWaalsContact C-N 3.32Å; S164-Q166 PolarHBondContact O-N 2.72Å; S164-Q166 VanDerWaalsContact O-N 3.14Å; S164-Q166 PolarHBondContact OG-N 3.45Å; S164-Q166 VanDerWaalsContact OG-N 3.13Å; S164-Y167 VanDerWaalsContact O-CB 3.29Å; S164-Y167 WeakPolarHBondContact O-CB 3.44Å; S164-Y167 PolarHBondContact O-N 3.33Å; S164-Y167 VanDerWaalsContact O-N 3.12Å
165	P	87.9	Confident	91.3	Very high	132 Å²	132	51.9 Å²	51.9	86%	0.857	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.9	169.8	29.6	-36	0	0	0	113
166	Q	89.2	Confident	91.1	Very high	80 Å²	80	57.9 Å²	57.9	37%	0.374	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	1.1	177.7	-60.5	-179.2	0.4	0	0	112.6	D159 S164 V168	D159-Q166 HydrophobicContact CB-CB 4.17Å; S164-Q166 PolarHBondContact O-N 2.72Å; S164-Q166 VanDerWaalsContact O-N 3.14Å; S164-Q166 PolarHBondContact OG-N 3.45Å; S164-Q166 VanDerWaalsContact OG-N 3.13Å; Q166-V168 PolarHBondContact O-N 2.6Å
167	Y	90.9	Very high	91	Very high	38 Å²	38	61.3 Å²	61.3	15%	0.149	33%	0.325	C	S	.	.			trans	-67.5	118.9	-179.9	-174.6	-97	0	0	0	111.7	R160 D161 Q162 S164 H169	R160-Y167 VanDerWaalsContact NH2-CZ 3.35Å; R160-Y167 PolarHBondContact NH2-OH 3.27Å; R160-Y167 VanDerWaalsContact NH2-OH 3.11Å; D161-Y167 WeakPolarHBondContact O-CB 3.36Å; D161-Y167 WeakPolarHBondContact O-CD2 3.36Å; Q162-Y167 HydrophobicContact CG-CD2 4.45Å; Q162-Y167 HydrophobicContact CG-CE1 4.48Å; Q162-Y167 HydrophobicContact CG-CE2 3.89Å; S164-Y167 VanDerWaalsContact O-CB 3.29Å; S164-Y167 WeakPolarHBondContact O-CB 3.44Å; S164-Y167 PolarHBondContact O-N 3.33Å; S164-Y167 VanDerWaalsContact O-N 3.12Å; Y167-H169 AromaticContact CD1-CE1 3.65Å; Y167-H169 AromaticContact CD1-ND1 3.73Å; Y167-H169 AromaticContact CD1-NE2 3.94Å; Y167-H169 AromaticContact CE1-CE1 3.96Å; Y167-H169 AromaticContact CE1-ND1 3.67Å; Y167-H169 PolarHBondContact O-N 3.38Å
168	V	90.1	Very high	90.9	Very high	14 Å²	14	62 Å²	62	9%	0.085	33%	0.328	C	S	.	.			trans	-83.6	113.1	175.3	-176.4	0	0	0	0	110.3	D156 R160 Q166 L171 K174	D156-V168 HydrophobicContact CB-CG2 4.03Å; D156-V168 VanDerWaalsContact O-CG2 3.31Å; D156-V168 WeakPolarHBondContact O-CG2 3.37Å; R160-V168 PolarHBondContact NH1-O 3.13Å; Q166-V168 PolarHBondContact O-N 2.6Å; V168-L171 HydrophobicContact CG1-CD1 4.14Å; V168-K174 HydrophobicContact CG1-CD 4.31Å
169	H	89.9	Confident	90.8	Very high	127 Å²	127	67.7 Å²	67.7	59%	0.588	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	155.4	174	-63.2	-82.8	0	0	0	112.4	Y167 L171	Y167-H169 AromaticContact CD1-CE1 3.65Å; Y167-H169 AromaticContact CD1-ND1 3.73Å; Y167-H169 AromaticContact CD1-NE2 3.94Å; Y167-H169 AromaticContact CE1-CE1 3.96Å; Y167-H169 AromaticContact CE1-ND1 3.67Å; Y167-H169 PolarHBondContact O-N 3.38Å; H169-L171 PolarHBondContact O-N 2.91Å; H169-L171 VanDerWaalsContact O-N 3.1Å
170	N	89.5	Confident	90.8	Very high	132 Å²	132	70.1 Å²	70.1	71%	0.706	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	28.7	178.6	-62.1	-20.9	0	0	0	114.1	K172 A173 K174	N170-K172 VanDerWaalsContact C-N 3.28Å; N170-K172 PolarHBondContact O-N 3.18Å; N170-A173 PolarHBondContact O-N 2.9Å; N170-K174 WeakPolarHBondContact O-CG 3.49Å; N170-K174 PolarHBondContact O-N 3.47Å; N170-K174 VanDerWaalsContact O-N 3.13Å
171	L	90.3	Very high	90.9	Very high	3 Å²	3	70.9 Å²	70.9	2%	0.016	38%	0.381	C	S	.	.	H	α-helix	trans	-58.6	-38.8	-175.3	-176.5	63.5	0	0	0	112.5	L155 T157 V168 H169 A173 K174 I175 F206	L155-L171 HydrophobicContact CB-CD1 3.86Å; L155-L171 HydrophobicContact CD1-CD1 3.93Å; L155-L171 HydrophobicContact CG-CD1 4.44Å; T157-L171 HydrophobicContact CG2-CD2 3.89Å; V168-L171 HydrophobicContact CG1-CD1 4.14Å; H169-L171 PolarHBondContact O-N 2.91Å; H169-L171 VanDerWaalsContact O-N 3.1Å; L171-A173 PolarHBondContact O-N 3.35Å; L171-K174 PolarHBondContact O-N 3.3Å; L171-I175 HydrophobicContact CD1-CD1 3.99Å; L171-I175 HydrophobicContact CD1-CG1 4.08Å; L171-I175 HydrophobicContact CD2-CD1 4.26Å; L171-I175 HydrophobicContact CG-CD1 3.74Å; L171-I175 HydrophobicContact CG-CG1 4.23Å; L171-I175 WeakPolarHBondContact O-CG1 3.19Å; L171-I175 PolarHBondContact O-N 3.34Å; L171-F206 HydrophobicContact CD2-CD1 3.53Å; L171-F206 HydrophobicContact CD2-CE1 3.33Å; L171-F206 HydrophobicContact CD2-CG 4.25Å; L171-F206 HydrophobicContact CD2-CZ 3.92Å; L171-F206 HydrophobicContact CG-CD1 4.29Å; L171-F206 HydrophobicContact CG-CE1 4.39Å
172	K	90.1	Very high	91	Very high	111 Å²	111	74.8 Å²	74.8	48%	0.483	40%	0.402	S	S	.	.	H	α-helix	trans	-54.9	-50.5	175.9	-177.6	176.9	179.2	175.6	0	112.3	N170 K174 I175 Q176 F206	N170-K172 VanDerWaalsContact C-N 3.28Å; N170-K172 PolarHBondContact O-N 3.18Å; K172-K174 VanDerWaalsContact C-N 3.35Å; K172-K174 PolarHBondContact O-N 3.36Å; K172-I175 PolarHBondContact O-N 2.93Å; K172-Q176 WeakPolarHBondContact O-CB 3.44Å; K172-Q176 VanDerWaalsContact O-CG 3.27Å; K172-Q176 WeakPolarHBondContact O-CG 3.4Å; K172-Q176 PolarHBondContact O-N 3.06Å; K172-F206 HydrophobicContact CB-CB 4.1Å
173	A	91.5	Very high	91.1	Very high	61 Å²	61	74.4 Å²	74.4	50%	0.504	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-39.3	179.3	0	0	0	0	0	111.6	N170 L171 Q176 S177	N170-A173 PolarHBondContact O-N 2.9Å; L171-A173 PolarHBondContact O-N 3.35Å; A173-Q176 PolarHBondContact O-N 2.9Å; A173-S177 PolarHBondContact O-N 3.11Å
174	K	92.1	Very high	91.4	Very high	45 Å²	45	68.2 Å²	68.2	20%	0.196	37%	0.368	C	S	.	.	H	α-helix	trans	-61.9	-46.6	176.3	-67.2	178.5	179.1	-179.6	0	111.9	E122 L155 V168 N170 L171 K172 S177	E122-K174 WeakPolarHBondContact OE1-CE 3.41Å; E122-K174 IonicContact OE1-NZ 3.96Å; E122-K174 PolarHBondContact OE1-NZ 3Å; E122-K174 IonicContact OE2-NZ 2.9Å; E122-K174 PolarHBondContact OE2-NZ 3.34Å; L155-K174 HydrophobicContact CD1-CB 3.72Å; L155-K174 HydrophobicContact CD2-CB 4.44Å; L155-K174 HydrophobicContact CD2-CD 4.23Å; V168-K174 HydrophobicContact CG1-CD 4.31Å; N170-K174 WeakPolarHBondContact O-CG 3.49Å; N170-K174 PolarHBondContact O-N 3.47Å; N170-K174 VanDerWaalsContact O-N 3.13Å; L171-K174 PolarHBondContact O-N 3.3Å; K172-K174 VanDerWaalsContact C-N 3.35Å; K172-K174 PolarHBondContact O-N 3.36Å; K174-S177 PolarHBondContact O-N 2.91Å; K174-S177 PolarHBondContact O-OG 3.11Å
175	I	92.5	Very high	91.7	Very high	3 Å²	3	70.1 Å²	70.1	2%	0.015	37%	0.374	C	S	.	.	H	α-helix	trans	-64.5	-44.7	177.8	-68.5	173	0	0	0	110.9	L153 L155 L171 K172 S177 L178 W181 F206	L153-I175 HydrophobicContact CD1-CD1 3.91Å; L153-I175 HydrophobicContact CD1-CG1 4.12Å; L155-I175 HydrophobicContact CD1-CG1 3.83Å; L171-I175 HydrophobicContact CD1-CD1 3.99Å; L171-I175 HydrophobicContact CD1-CG1 4.08Å; L171-I175 HydrophobicContact CD2-CD1 4.26Å; L171-I175 HydrophobicContact CG-CD1 3.74Å; L171-I175 HydrophobicContact CG-CG1 4.23Å; L171-I175 WeakPolarHBondContact O-CG1 3.19Å; L171-I175 PolarHBondContact O-N 3.34Å; K172-I175 PolarHBondContact O-N 2.93Å; I175-S177 PolarHBondContact O-N 3.37Å; I175-L178 VanDerWaalsContact O-CB 3.26Å; I175-L178 WeakPolarHBondContact O-CB 3.28Å; I175-L178 WeakPolarHBondContact O-CG 3.39Å; I175-L178 PolarHBondContact O-N 2.85Å; I175-W181 HydrophobicContact CG2-CD2 3.32Å; I175-W181 HydrophobicContact CG2-CE3 3.73Å; I175-W181 HydrophobicContact CG2-CG 3.72Å; I175-W181 HydrophobicContact CG2-CH2 4.17Å; I175-W181 HydrophobicContact CG2-CZ2 3.79Å; I175-W181 HydrophobicContact CG2-CZ3 4.13Å; I175-F206 HydrophobicContact CD1-CD2 3.67Å; I175-F206 HydrophobicContact CD1-CE2 3.43Å; I175-F206 VanDerWaalsContact CD1-CE2 3.43Å; I175-F206 HydrophobicContact CD1-CG 4.44Å; I175-F206 HydrophobicContact CD1-CZ 4.05Å
176	Q	90.4	Very high	92.1	Very high	130 Å²	130	64.1 Å²	64.1	61%	0.607	33%	0.334	S	S	*	.	H	α-helix	trans	-64	-23.9	178.4	-72.8	177.1	-26	0	0	113.3	K172 A173 L178	K172-Q176 WeakPolarHBondContact O-CB 3.44Å; K172-Q176 VanDerWaalsContact O-CG 3.27Å; K172-Q176 WeakPolarHBondContact O-CG 3.4Å; K172-Q176 PolarHBondContact O-N 3.06Å; A173-Q176 PolarHBondContact O-N 2.9Å; Q176-L178 VanDerWaalsContact C-N 3.26Å; Q176-L178 PolarHBondContact O-N 2.81Å
177	S	91.3	Very high	92.5	Very high	77 Å²	77	60.4 Å²	60.4	54%	0.538	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.4	173.6	78	0	0	0	0	113.9	A173 K174 I175	A173-S177 PolarHBondContact O-N 3.11Å; K174-S177 PolarHBondContact O-N 2.91Å; K174-S177 PolarHBondContact O-OG 3.11Å; I175-S177 PolarHBondContact O-N 3.37Å
178	L	93.4	Very high	92.8	Very high	14 Å²	14	58.6 Å²	58.6	7%	0.073	31%	0.31	C	S	.	.			trans	-77	124.5	-178.7	-63	176.2	0	0	0	110.5	Y116 L153 L155 I175 Q176 L180 W181	Y116-L178 HydrophobicContact CD1-CD1 4.27Å; Y116-L178 HydrophobicContact CD1-CD2 4Å; Y116-L178 HydrophobicContact CE1-CB 3.82Å; Y116-L178 HydrophobicContact CE1-CD1 4.06Å; Y116-L178 HydrophobicContact CE1-CD2 4.12Å; Y116-L178 HydrophobicContact CE1-CG 4.22Å; L153-L178 HydrophobicContact CD2-CD1 3.56Å; L155-L178 HydrophobicContact CD1-CD1 4.27Å; I175-L178 VanDerWaalsContact O-CB 3.26Å; I175-L178 WeakPolarHBondContact O-CB 3.28Å; I175-L178 WeakPolarHBondContact O-CG 3.39Å; I175-L178 PolarHBondContact O-N 2.85Å; Q176-L178 VanDerWaalsContact C-N 3.26Å; Q176-L178 PolarHBondContact O-N 2.81Å; L178-L180 VanDerWaalsContact C-N 3.25Å; L178-L180 PolarHBondContact O-N 3.18Å; L178-W181 HydrophobicContact CB-CB 4.24Å; L178-W181 PolarHBondContact O-N 3.03Å
179	P	92.4	Very high	93.2	Very high	122 Å²	122	58 Å²	58	79%	0.792	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.6	-171.4	24.7	-34.3	0	0	0	113.5
180	L	95.2	Very high	93.5	Very high	69 Å²	69	52 Å²	52	36%	0.361	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	0.9	-176	-58	173.4	0	0	0	113.5	Y114 Y116 P145 F151 L178 N182 H187	Y114-L180 HydrophobicContact CE1-CD1 4.29Å; Y116-L180 HydrophobicContact CE1-CB 4.09Å; Y116-L180 WeakPolarHBondContact OH-CA 3.49Å; Y116-L180 VanDerWaalsContact OH-CB 3.23Å; Y116-L180 WeakPolarHBondContact OH-CB 3.44Å; Y116-L180 PolarHBondContact OH-O 2.99Å; P145-L180 HydrophobicContact CB-CD1 3.72Å; P145-L180 HydrophobicContact CG-CD1 4.37Å; F151-L180 HydrophobicContact CD1-CD1 4.5Å; F151-L180 HydrophobicContact CE1-CD1 4.12Å; L178-L180 VanDerWaalsContact C-N 3.25Å; L178-L180 PolarHBondContact O-N 3.18Å; L180-N182 VanDerWaalsContact C-N 3.25Å; L180-N182 PolarHBondContact O-N 3.47Å; L180-N182 VanDerWaalsContact O-N 3.16Å; L180-H187 PolarHBondContact O-CE1 3.43Å
181	W	94	Very high	93.9	Very high	24 Å²	24	45.7 Å²	45.7	9%	0.091	25%	0.245	C	C	.	.			trans	-57.6	-35.6	-170.1	173.2	-120.8	0	0	0	113.4	Y116 L153 I175 L178 E183 G184 H187 I189 A211	Y116-W181 PolarHBondContact OH-N 3.03Å; Y116-W181 VanDerWaalsContact OH-N 3.13Å; L153-W181 HydrophobicContact CD1-CZ3 4.2Å; L153-W181 HydrophobicContact CD2-CE3 3.95Å; L153-W181 HydrophobicContact CD2-CZ3 3.99Å; L153-W181 HydrophobicContact CG-CZ3 4.41Å; I175-W181 HydrophobicContact CG2-CD2 3.32Å; I175-W181 HydrophobicContact CG2-CE3 3.73Å; I175-W181 HydrophobicContact CG2-CG 3.72Å; I175-W181 HydrophobicContact CG2-CH2 4.17Å; I175-W181 HydrophobicContact CG2-CZ2 3.79Å; I175-W181 HydrophobicContact CG2-CZ3 4.13Å; L178-W181 HydrophobicContact CB-CB 4.24Å; L178-W181 PolarHBondContact O-N 3.03Å; W181-E183 VanDerWaalsContact C-N 3.26Å; W181-E183 PolarHBondContact O-N 3.39Å; W181-E183 VanDerWaalsContact O-N 3.12Å; W181-G184 WeakPolarHBondContact O-CA 3.44Å; W181-G184 PolarHBondContact O-N 3.07Å; W181-H187 HydrophobicContact CE3-CB 4.34Å; W181-H187 AromaticContact CE3-CD2 3.5Å; W181-H187 VanDerWaalsContact CE3-CD2 3.5Å; W181-H187 AromaticContact CE3-CG 3.75Å; W181-H187 AromaticContact CE3-NE2 3.86Å; W181-H187 HydrophobicContact CH2-CB 4.44Å; W181-H187 HydrophobicContact CZ3-CB 3.72Å; W181-H187 AromaticContact CZ3-CD2 3.65Å; W181-H187 AromaticContact CZ3-CG 3.65Å; W181-H187 PolarHBondContact O-CE1 3.01Å; W181-H187 PolarHBondContact O-ND1 3.01Å; W181-I189 HydrophobicContact CH2-CD1 3.99Å; W181-A211 HydrophobicContact CH2-CB 3.87Å; W181-A211 HydrophobicContact CZ3-CB 4.48Å
182	N	92.8	Very high	94.1	Very high	106 Å²	106	45.6 Å²	45.6	57%	0.567	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	45.4	47.6	173.6	-166.9	31.9	0	0	0	113.8	L180 G184 K185	L180-N182 VanDerWaalsContact C-N 3.25Å; L180-N182 PolarHBondContact O-N 3.47Å; L180-N182 VanDerWaalsContact O-N 3.16Å; N182-G184 PolarHBondContact O-N 2.85Å; N182-K185 WeakPolarHBondContact O-CB 3.27Å; N182-K185 PolarHBondContact O-N 2.74Å
183	E	92.7	Very high	94.2	Very high	125 Å²	125	42.4 Å²	42.4	58%	0.584	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	53.3	27.1	-176.9	-58.7	-178.3	-173.3	0	0	113.9	W181 K185 G209 F210	W181-E183 VanDerWaalsContact C-N 3.26Å; W181-E183 PolarHBondContact O-N 3.39Å; W181-E183 VanDerWaalsContact O-N 3.12Å; E183-K185 VanDerWaalsContact C-N 3.34Å; E183-G209 CarbonylContact O-C 3.56Å; E183-G209 WeakPolarHBondContact O-CA 3.27Å; E183-F210 HydrophobicContact CB-CD2 3.88Å; E183-F210 HydrophobicContact CB-CE2 3.95Å; E183-F210 WeakPolarHBondContact O-CD2 3.31Å; E183-F210 PolarHBondContact O-N 2.9Å; E183-F210 WeakPolarHBondContact OE2-CE2 3.22Å
184	G	93.9	Very high	94.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	83.7	-1.5	-179.2	0	0	0	0	0	114.9	W181 N182 N186 H187 F210 A211	W181-G184 WeakPolarHBondContact O-CA 3.44Å; W181-G184 PolarHBondContact O-N 3.07Å; N182-G184 PolarHBondContact O-N 2.85Å; G184-N186 PolarHBondContact O-N 2.87Å; G184-H187 WeakPolarHBondContact O-CB 3.43Å; G184-H187 PolarHBondContact O-N 3.22Å; G184-F210 CarbonylContact O-C 3.38Å; G184-A211 WeakPolarHBondContact O-CA 3.38Å; G184-A211 PolarHBondContact O-N 2.83Å; G184-A211 VanDerWaalsContact O-N 3.14Å
185	K	94.9	Very high	93.7	Very high	60 Å²	60	37.6 Å²	37.6	26%	0.261	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	133.2	179.4	-155.5	-172.5	-174	-167.2	0	110	C100 D102 N182 E183 H187 F210	C100-K185 WeakPolarHBondContact O-CG 3.36Å; D102-K185 HydrophobicContact CB-CD 4.18Å; D102-K185 IonicContact OD2-NZ 2.7Å; D102-K185 PolarHBondContact OD2-NZ 2.91Å; N182-K185 WeakPolarHBondContact O-CB 3.27Å; N182-K185 PolarHBondContact O-N 2.74Å; E183-K185 VanDerWaalsContact C-N 3.34Å; K185-H187 PolarHBondContact O-CE1 3.1Å; K185-H187 PolarHBondContact O-N 3.06Å; K185-H187 PolarHBondContact O-ND1 2.82Å; K185-F210 HydrophobicContact CB-CB 4.31Å; K185-F210 HydrophobicContact CB-CD2 4.5Å
186	N	96.2	Very high	93.3	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.032	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	20	-174.5	-65.5	48.3	0	0	0	114.8	F101 D102 C149 L150 F151 G184	F101-N186 HydrophobicContact CE2-CB 4.26Å; D102-N186 WeakPolarHBondContact CA-OD1 3.38Å; D102-N186 WeakPolarHBondContact CB-OD1 3.45Å; D102-N186 PolarHBondContact N-OD1 2.73Å; D102-N186 PolarHBondContact O-ND2 3.45Å; C149-N186 WeakPolarHBondContact O-CB 3.5Å; C149-N186 PolarHBondContact O-ND2 3.18Å; L150-N186 CarbonylContact C-O 3.6Å; L150-N186 WeakPolarHBondContact CA-O 3.37Å; L150-N186 WeakPolarHBondContact CD1-O 3.36Å; F151-N186 HydrophobicContact CD2-CB 4.21Å; F151-N186 PolarHBondContact N-O 2.78Å; G184-N186 PolarHBondContact O-N 2.87Å
187	H	97.7	Very high	92.7	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	150.2	173	-67.9	66	0	0	0	111.2	Y116 F151 L180 W181 G184 K185 A211 M212	Y116-H187 AromaticContact CE2-NE2 3.62Å; Y116-H187 AromaticContact CZ-NE2 3.78Å; Y116-H187 PolarHBondContact OH-NE2 2.83Å; F151-H187 VanDerWaalsContact CB-CD2 3.49Å; F151-H187 WeakPolarHBondContact CB-CD2 3.39Å; F151-H187 WeakPolarHBondContact CB-NE2 3.37Å; F151-H187 WeakPolarHBondContact O-CA 3.43Å; L180-H187 PolarHBondContact O-CE1 3.43Å; W181-H187 HydrophobicContact CE3-CB 4.34Å; W181-H187 AromaticContact CE3-CD2 3.5Å; W181-H187 VanDerWaalsContact CE3-CD2 3.5Å; W181-H187 AromaticContact CE3-CG 3.75Å; W181-H187 AromaticContact CE3-NE2 3.86Å; W181-H187 HydrophobicContact CH2-CB 4.44Å; W181-H187 HydrophobicContact CZ3-CB 3.72Å; W181-H187 AromaticContact CZ3-CD2 3.65Å; W181-H187 AromaticContact CZ3-CG 3.65Å; W181-H187 PolarHBondContact O-CE1 3.01Å; W181-H187 PolarHBondContact O-ND1 3.01Å; G184-H187 WeakPolarHBondContact O-CB 3.43Å; G184-H187 PolarHBondContact O-N 3.22Å; K185-H187 PolarHBondContact O-CE1 3.1Å; K185-H187 PolarHBondContact O-N 3.06Å; K185-H187 PolarHBondContact O-ND1 2.82Å; H187-A211 HydrophobicContact CB-CB 3.95Å; H187-A211 WeakPolarHBondContact O-CA 3.15Å; H187-M212 PolarHBondContact O-N 3.02Å
188	I	98.1	Very high	91.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.2	167.5	-172.2	177.4	0	0	0	110	L150 F151 V152 F190 M212 A214 T423 I427	L150-I188 HydrophobicContact CD1-CB 4.3Å; L150-I188 HydrophobicContact CD1-CG2 4.25Å; L150-I188 HydrophobicContact CD2-CG2 3.92Å; L150-I188 HydrophobicContact CG-CG2 4.09Å; F151-I188 PolarHBondContact O-N 2.81Å; V152-I188 HydrophobicContact CG2-CG2 3.68Å; I188-F190 HydrophobicContact CD1-CE2 4.35Å; I188-F190 HydrophobicContact CD1-CZ 4.2Å; I188-F190 HydrophobicContact CG2-CE2 4.2Å; I188-M212 WeakPolarHBondContact CA-O 3.42Å; I188-M212 HydrophobicContact CB-CB 4.46Å; I188-M212 HydrophobicContact CG1-CB 4.31Å; I188-A214 HydrophobicContact CD1-CB 3.84Å; I188-A214 HydrophobicContact CG1-CB 4.11Å; I188-T423 HydrophobicContact CD1-CG2 3.71Å; I188-I427 HydrophobicContact CD1-CD1 3.48Å; I188-I427 VanDerWaalsContact CD1-CD1 3.48Å
189	I	97.5	Very high	90.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.7	176.7	-64.2	168.8	0	0	0	108.6	L153 T157 W181 F206 I208 A211 M212 L213 A214	L153-I189 HydrophobicContact CD1-CG1 4.18Å; T157-I189 HydrophobicContact CG2-CG2 4.18Å; W181-I189 HydrophobicContact CH2-CD1 3.99Å; I189-F206 HydrophobicContact CD1-CE2 3.84Å; I189-F206 HydrophobicContact CD1-CZ 4.02Å; I189-F206 HydrophobicContact CG2-CZ 4.47Å; I189-I208 HydrophobicContact CD1-CB 4.03Å; I189-I208 HydrophobicContact CD1-CG2 3.75Å; I189-A211 HydrophobicContact CD1-CB 3.94Å; I189-A211 HydrophobicContact CG1-CB 4.28Å; I189-M212 PolarHBondContact N-O 3.06Å; I189-L213 HydrophobicContact CB-CD2 3.97Å; I189-L213 HydrophobicContact CD1-CD2 4.49Å; I189-L213 HydrophobicContact CG2-CD2 4.3Å; I189-A214 PolarHBondContact O-N 2.79Å
190	F	97.9	Very high	90.4	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.4	172.8	-70.6	-93.1	0	0	0	110.1	Y128 I131 I135 V152 T157 L158 I188 A214 I231 V420 T423	Y128-F190 HydrophobicContact CE2-CB 4.44Å; I131-F190 HydrophobicContact CD1-CB 4.12Å; I131-F190 HydrophobicContact CD1-CD1 4.22Å; I131-F190 HydrophobicContact CD1-CG 4.22Å; I131-F190 HydrophobicContact CG2-CD1 4.29Å; I131-F190 HydrophobicContact CG2-CD2 3.96Å; I131-F190 HydrophobicContact CG2-CE1 4.33Å; I131-F190 HydrophobicContact CG2-CE2 4Å; I131-F190 HydrophobicContact CG2-CG 4.12Å; I131-F190 HydrophobicContact CG2-CZ 4.18Å; I135-F190 HydrophobicContact CD1-CE2 4.11Å; I135-F190 HydrophobicContact CD1-CZ 4.43Å; V152-F190 HydrophobicContact CG1-CD2 4.45Å; V152-F190 HydrophobicContact CG1-CE2 4.32Å; T157-F190 CarbonylContact C-O 3.5Å; T157-F190 PolarHBondContact OG1-O 3.15Å; L158-F190 HydrophobicContact CD2-CB 3.73Å; L158-F190 WeakPolarHBondContact CD2-O 3.11Å; I188-F190 HydrophobicContact CD1-CE2 4.35Å; I188-F190 HydrophobicContact CD1-CZ 4.2Å; I188-F190 HydrophobicContact CG2-CE2 4.2Å; F190-A214 CarbonylContact C-O 3.51Å; F190-A214 WeakPolarHBondContact CA-O 3.3Å; F190-A214 HydrophobicContact CD1-CB 3.56Å; F190-A214 HydrophobicContact CE1-CB 3.68Å; F190-A214 HydrophobicContact CG-CB 4.12Å; F190-A214 HydrophobicContact CZ-CB 4.33Å; F190-I231 HydrophobicContact CD1-CD1 4.22Å; F190-V420 HydrophobicContact CE1-CG2 4.47Å; F190-T423 HydrophobicContact CE1-CG2 4.22Å; F190-T423 HydrophobicContact CZ-CG2 4.32Å
191	N	96.6	Very high	89.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	132.2	176.2	-179.3	-106.6	0	0	0	111.8	T157 L158 Y193 L204 A214 K215 A216	T157-N191 PolarHBondContact O-ND2 2.77Å; L158-N191 PolarHBondContact O-ND2 3.22Å; L158-N191 VanDerWaalsContact O-ND2 3.1Å; N191-Y193 PolarHBondContact ND2-O 2.8Å; N191-L204 HydrophobicContact CB-CD2 4.11Å; N191-L204 VanDerWaalsContact CG-CD2 3.45Å; N191-L204 WeakPolarHBondContact OD1-CD2 3.37Å; N191-A214 PolarHBondContact N-O 2.93Å; N191-K215 HydrophobicContact CB-CG 4.25Å; N191-K215 CarbonylContact O-C 3.59Å; N191-K215 WeakPolarHBondContact O-CA 3.27Å; N191-A216 PolarHBondContact O-N 3.45Å
192	L	95.3	Very high	89.2	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.191	C	C	.	.	S	Bend	trans	-111.1	-37	178.3	-66.3	-176.5	0	0	0	112.5	L158 A216 I231 L233 F234	L158-L192 HydrophobicContact CD1-CD1 4.13Å; L158-L192 HydrophobicContact CD2-CG 4.21Å; L158-L192 PolarHBondContact O-N 3.36Å; L192-A216 HydrophobicContact CD2-CB 3.88Å; L192-I231 HydrophobicContact CD2-CD1 3.91Å; L192-L233 HydrophobicContact CB-CD1 3.95Å; L192-L233 WeakPolarHBondContact O-CD1 3.46Å; L192-F234 HydrophobicContact CD1-CD1 4.39Å; L192-F234 HydrophobicContact CD1-CD2 4.14Å; L192-F234 HydrophobicContact CD1-CE1 4.03Å; L192-F234 HydrophobicContact CD1-CE2 3.75Å; L192-F234 HydrophobicContact CD1-CG 4.45Å; L192-F234 HydrophobicContact CD1-CZ 3.71Å; L192-F234 HydrophobicContact CD2-CD1 4.13Å; L192-F234 HydrophobicContact CD2-CE1 3.78Å; L192-F234 HydrophobicContact CD2-CZ 4.24Å; L192-F234 HydrophobicContact CG-CE1 4.49Å; L192-F234 HydrophobicContact CG-CZ 4.48Å
193	Y	92.4	Very high	88.7	Confident	44 Å²	44	38.3 Å²	38.3	17%	0.173	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-126	105.8	-176	-48	-80.5	0	0	0	108.7	L158 D159 R160 N191 L233 F234 F342	L158-Y193 PolarHBondContact O-N 3.38Å; D159-Y193 HydrophobicContact CB-CD2 4.17Å; R160-Y193 PolarHBondContact N-O 2.84Å; N191-Y193 PolarHBondContact ND2-O 2.8Å; Y193-L233 HydrophobicContact CD1-CD1 4.12Å; Y193-L233 HydrophobicContact CE1-CD1 3.68Å; Y193-F234 PolarHBondContact OH-O 3.21Å; Y193-F342 HydrophobicContact CE1-CZ 4.05Å; Y193-F342 WeakPolarHBondContact OH-CZ 3.34Å
194	S	88.2	Confident	88.5	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.021	16%	0.164	C	C	.	.			trans	-104.1	148.6	171.6	62.6	0	0	0	0	111.6	T201 K215 R338	S194-T201 CarbonylContact C-O 3.59Å; S194-K215 WeakPolarHBondContact OG-CE 3.38Å; S194-K215 PolarHBondContact OG-NZ 2.7Å; S194-R338 VanDerWaalsContact O-CZ 3.24Å; S194-R338 PolarHBondContact O-NE 3.04Å; S194-R338 PolarHBondContact O-NH2 3.4Å
195	G	84.3	Confident	88.1	Confident	2 Å²	2	34.9 Å²	34.9	2%	0.021	19%	0.186	C	C	.	.			trans	74.1	160	175.2	0	0	0	0	0	114.8	T201 R338	G195-T201 WeakPolarHBondContact CA-O 3.46Å; G195-T201 PolarHBondContact N-O 3.01Å; G195-T201 VanDerWaalsContact N-O 3.08Å; G195-R338 PolarHBondContact O-NH2 3.34Å
196	T	83.8	Confident	87.8	Confident	24 Å²	24	32.9 Å²	32.9	15%	0.147	18%	0.177	C	C	.	.			trans	-122.7	155.4	-176.2	-55.7	0	0	0	0	109.4	D161 Q162 L163 D199 Y200	D161-T196 WeakPolarHBondContact OD1-CG2 3.44Å; Q162-T196 HydrophobicContact CB-CG2 4.28Å; Q162-T196 PolarHBondContact N-OG1 2.93Å; L163-T196 HydrophobicContact CD1-CG2 3.93Å; L163-T196 HydrophobicContact CG-CG2 3.76Å; T196-D199 PolarHBondContact O-N 2.88Å; T196-Y200 WeakPolarHBondContact O-CA 3.12Å; T196-Y200 PolarHBondContact O-N 3.09Å
197	W	78.4	Confident	87.4	Confident	133 Å²	133	37.8 Å²	37.8	50%	0.504	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	142.1	170.1	-179.1	89.9	0	0	0	110.7	Y200	W197-Y200 HydrophobicContact CB-CE2 4.37Å
198	P	73.3	Confident	87.1	Confident	51 Å²	51	39 Å²	39	33%	0.331	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.5	-19.1	4.3	31.9	-31.7	0	0	0	115.3	Y200	P198-Y200 WeakPolarHBondContact O-CD2 3.44Å
199	D	74.6	Confident	86.7	Confident	105 Å²	105	39.3 Å²	39.3	56%	0.561	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-19.2	-162.6	-56.6	-47.6	0	0	0	114.2	T196 T201 I272	T196-D199 PolarHBondContact O-N 2.88Å; D199-T201 HydrophobicContact CB-CG2 3.97Å; D199-T201 PolarHBondContact O-N 3.24Å; D199-T201 VanDerWaalsContact O-N 3.12Å; D199-I272 WeakPolarHBondContact O-CD1 3.21Å
200	Y	81.3	Confident	86.6	Confident	20 Å²	20	40.9 Å²	40.9	8%	0.078	22%	0.219	C	C	.	.			trans	46.7	42.1	-179.1	-64.1	-73	0	0	0	113.4	T196 W197 P198 R337	T196-Y200 WeakPolarHBondContact O-CA 3.12Å; T196-Y200 PolarHBondContact O-N 3.09Å; W197-Y200 HydrophobicContact CB-CE2 4.37Å; P198-Y200 WeakPolarHBondContact O-CD2 3.44Å; Y200-R337 HydrophobicContact CD1-CB 4.43Å; Y200-R337 HydrophobicContact CD2-CB 4.07Å; Y200-R337 HydrophobicContact CD2-CG 4.39Å; Y200-R337 HydrophobicContact CE1-CB 4.26Å; Y200-R337 HydrophobicContact CE2-CB 3.85Å; Y200-R337 HydrophobicContact CE2-CG 3.71Å; Y200-R337 HydrophobicContact CG-CB 4.35Å; Y200-R337 VanDerWaalsContact OH-CD 3.29Å; Y200-R337 WeakPolarHBondContact OH-CD 3.18Å; Y200-R337 PolarHBondContact OH-NE 3.02Å; Y200-R337 PolarHBondContact OH-NH1 2.81Å; Y200-R337 VanDerWaalsContact OH-NH1 3.13Å
201	T	82.6	Confident	86.5	Confident	80 Å²	80	40.8 Å²	40.8	49%	0.491	22%	0.219	S	C	.	.			trans	-55.3	148	179.5	57.4	0	0	0	0	111.2	S194 G195 D199 D203	S194-T201 CarbonylContact C-O 3.59Å; G195-T201 WeakPolarHBondContact CA-O 3.46Å; G195-T201 PolarHBondContact N-O 3.01Å; G195-T201 VanDerWaalsContact N-O 3.08Å; D199-T201 HydrophobicContact CB-CG2 3.97Å; D199-T201 PolarHBondContact O-N 3.24Å; D199-T201 VanDerWaalsContact O-N 3.12Å; T201-D203 PolarHBondContact O-N 3.46Å; T201-D203 VanDerWaalsContact O-N 3.17Å
202	E	82	Confident	86.5	Confident	44 Å²	44	40.9 Å²	40.9	21%	0.206	22%	0.219	C	C	.	.	S	Bend	trans	-76.7	1.3	-178.1	-79.1	-164.7	-163.2	0	0	114.5	K215 S219 N222	E202-K215 PolarHBondContact O-NZ 3.35Å; E202-K215 IonicContact OE2-NZ 2.64Å; E202-K215 PolarHBondContact OE2-NZ 3.02Å; E202-S219 WeakPolarHBondContact OE1-CB 3.35Å; E202-S219 PolarHBondContact OE1-N 3.44Å; E202-S219 PolarHBondContact OE2-N 2.95Å; E202-N222 WeakPolarHBondContact OE2-CB 3.39Å; E202-N222 PolarHBondContact OE2-ND2 2.78Å
203	D	82.3	Confident	86.6	Confident	102 Å²	102	41.6 Å²	41.6	55%	0.545	22%	0.223	S	C	.	.			trans	-66.3	138	177.7	-176.6	21.5	0	0	0	111.5	T201 G205	T201-D203 PolarHBondContact O-N 3.46Å; T201-D203 VanDerWaalsContact O-N 3.17Å; D203-G205 VanDerWaalsContact CG-N 3.34Å; D203-G205 PolarHBondContact OD1-N 3.28Å
204	L	87.4	Confident	86.9	Confident	11 Å²	11	39.5 Å²	39.5	6%	0.058	22%	0.215	C	C	.	.			trans	-88.6	-10.1	175.8	-57.5	-178.1	0	0	0	111.8	R160 N191 F206 I208 L213	R160-L204 HydrophobicContact CG-CB 4.29Å; R160-L204 HydrophobicContact CG-CD2 4Å; R160-L204 PolarHBondContact NE-O 3.25Å; R160-L204 PolarHBondContact NH2-O 3.35Å; N191-L204 HydrophobicContact CB-CD2 4.11Å; N191-L204 VanDerWaalsContact CG-CD2 3.45Å; N191-L204 WeakPolarHBondContact OD1-CD2 3.37Å; L204-F206 VanDerWaalsContact C-N 3.32Å; L204-F206 HydrophobicContact CB-CD1 3.92Å; L204-F206 HydrophobicContact CB-CE1 3.64Å; L204-F206 HydrophobicContact CB-CZ 4.36Å; L204-F206 HydrophobicContact CD1-CE1 4.34Å; L204-F206 HydrophobicContact CD1-CZ 4.3Å; L204-F206 WeakPolarHBondContact O-CD1 3.46Å; L204-I208 HydrophobicContact CD1-CG2 3.87Å; L204-L213 HydrophobicContact CD1-CD2 3.92Å
205	G	84.8	Confident	87.2	Confident	43 Å²	43	39.6 Å²	39.6	44%	0.443	22%	0.215	S	C	.	.	S	Bend	trans	77	18.6	-179.4	0	0	0	0	0	113.4	D203	D203-G205 VanDerWaalsContact CG-N 3.34Å; D203-G205 PolarHBondContact OD1-N 3.28Å
206	F	88.6	Confident	87.8	Confident	18 Å²	18	39.6 Å²	39.6	8%	0.079	21%	0.214	C	C	.	.	S	Bend	trans	-156.1	158.3	170.7	67.5	-81.9	0	0	0	110.4	T157 L171 K172 I175 I189 L204 I208	T157-F206 HydrophobicContact CG2-CZ 4.2Å; L171-F206 HydrophobicContact CD2-CD1 3.53Å; L171-F206 HydrophobicContact CD2-CE1 3.33Å; L171-F206 HydrophobicContact CD2-CG 4.25Å; L171-F206 HydrophobicContact CD2-CZ 3.92Å; L171-F206 HydrophobicContact CG-CD1 4.29Å; L171-F206 HydrophobicContact CG-CE1 4.39Å; K172-F206 HydrophobicContact CB-CB 4.1Å; I175-F206 HydrophobicContact CD1-CD2 3.67Å; I175-F206 HydrophobicContact CD1-CE2 3.43Å; I175-F206 VanDerWaalsContact CD1-CE2 3.43Å; I175-F206 HydrophobicContact CD1-CG 4.44Å; I175-F206 HydrophobicContact CD1-CZ 4.05Å; I189-F206 HydrophobicContact CD1-CE2 3.84Å; I189-F206 HydrophobicContact CD1-CZ 4.02Å; I189-F206 HydrophobicContact CG2-CZ 4.47Å; L204-F206 VanDerWaalsContact C-N 3.32Å; L204-F206 HydrophobicContact CB-CD1 3.92Å; L204-F206 HydrophobicContact CB-CE1 3.64Å; L204-F206 HydrophobicContact CB-CZ 4.36Å; L204-F206 HydrophobicContact CD1-CE1 4.34Å; L204-F206 HydrophobicContact CD1-CZ 4.3Å; L204-F206 WeakPolarHBondContact O-CD1 3.46Å; F206-I208 HydrophobicContact CD2-CG2 4.26Å; F206-I208 HydrophobicContact CE2-CG2 3.76Å; F206-I208 HydrophobicContact CZ-CG2 4.16Å
207	D	88.1	Confident	88.3	Confident	109 Å²	109	38.6 Å²	38.6	58%	0.583	21%	0.208	S	C	*	.			trans	-79.4	122.3	176.7	-175.7	8.5	0	0	0	110.4	G209	D207-G209 PolarHBondContact OD1-N 2.71Å
208	I	90.9	Very high	89	Confident	26 Å²	26	32.4 Å²	32.4	13%	0.133	19%	0.185	C	C	.	.			trans	-86.7	-10.2	179.7	64.7	174.4	0	0	0	112.7	I189 L204 F206 F210 A211 L213	I189-I208 HydrophobicContact CD1-CB 4.03Å; I189-I208 HydrophobicContact CD1-CG2 3.75Å; L204-I208 HydrophobicContact CD1-CG2 3.87Å; F206-I208 HydrophobicContact CD2-CG2 4.26Å; F206-I208 HydrophobicContact CE2-CG2 3.76Å; F206-I208 HydrophobicContact CZ-CG2 4.16Å; I208-F210 PolarHBondContact O-N 2.81Å; I208-A211 VanDerWaalsContact O-CB 3.24Å; I208-A211 WeakPolarHBondContact O-CB 3.39Å; I208-A211 PolarHBondContact O-N 2.78Å; I208-L213 HydrophobicContact CD1-CD1 3.75Å; I208-L213 HydrophobicContact CD1-CD2 3.83Å; I208-L213 HydrophobicContact CD1-CG 3.77Å; I208-L213 HydrophobicContact CG2-CD2 4.26Å
209	G	91.7	Very high	89.9	Confident	7 Å²	7	30.5 Å²	30.5	7%	0.072	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-123.8	-175.6	0	0	0	0	0	112.3	E183 D207	E183-G209 CarbonylContact O-C 3.56Å; E183-G209 WeakPolarHBondContact O-CA 3.27Å; D207-G209 PolarHBondContact OD1-N 2.71Å
210	F	94.4	Very high	90.7	Very high	34 Å²	34	28.9 Å²	28.9	15%	0.149	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5.1	179.8	-54.9	-66.2	0	0	0	114	Y90 T91 C100 E183 G184 K185 I208 F227	Y90-F210 WeakPolarHBondContact O-CD1 3.07Å; Y90-F210 WeakPolarHBondContact O-CE1 3.3Å; T91-F210 HydrophobicContact CG2-CE1 4Å; T91-F210 HydrophobicContact CG2-CZ 4Å; C100-F210 HydrophobicContact CB-CB 4.12Å; C100-F210 HydrophobicContact CB-CD1 4.13Å; C100-F210 VanDerWaalsContact SG-CD1 3.59Å; E183-F210 HydrophobicContact CB-CD2 3.88Å; E183-F210 HydrophobicContact CB-CE2 3.95Å; E183-F210 WeakPolarHBondContact O-CD2 3.31Å; E183-F210 PolarHBondContact O-N 2.9Å; E183-F210 WeakPolarHBondContact OE2-CE2 3.22Å; G184-F210 CarbonylContact O-C 3.38Å; K185-F210 HydrophobicContact CB-CB 4.31Å; K185-F210 HydrophobicContact CB-CD2 4.5Å; I208-F210 PolarHBondContact O-N 2.81Å; F210-F227 VanDerWaalsContact O-CZ 3.31Å; F210-F227 WeakPolarHBondContact O-CZ 3.33Å
211	A	95.6	Very high	91.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.			trans	-67.4	143.7	-177	0	0	0	0	0	112.3	W181 G184 H187 I189 I208 R224	W181-A211 HydrophobicContact CH2-CB 3.87Å; W181-A211 HydrophobicContact CZ3-CB 4.48Å; G184-A211 WeakPolarHBondContact O-CA 3.38Å; G184-A211 PolarHBondContact O-N 2.83Å; G184-A211 VanDerWaalsContact O-N 3.14Å; H187-A211 HydrophobicContact CB-CB 3.95Å; H187-A211 WeakPolarHBondContact O-CA 3.15Å; I189-A211 HydrophobicContact CD1-CB 3.94Å; I189-A211 HydrophobicContact CG1-CB 4.28Å; I208-A211 VanDerWaalsContact O-CB 3.24Å; I208-A211 WeakPolarHBondContact O-CB 3.39Å; I208-A211 PolarHBondContact O-N 2.78Å; A211-R224 PolarHBondContact O-NH1 3.05Å; A211-R224 PolarHBondContact O-NH2 3.35Å
212	M	97.1	Very high	91.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	147.7	167.5	-68.7	-179.9	-74.5	0	0	110.2	M97 F101 L150 H187 I188 I189 F227 I427	M97-M212 HydrophobicContact SD-SD 4.24Å; F101-M212 HydrophobicContact CD2-CE 3.88Å; F101-M212 HydrophobicContact CE2-CE 3.86Å; L150-M212 HydrophobicContact CD1-CE 3.33Å; H187-M212 PolarHBondContact O-N 3.02Å; I188-M212 WeakPolarHBondContact CA-O 3.42Å; I188-M212 HydrophobicContact CB-CB 4.46Å; I188-M212 HydrophobicContact CG1-CB 4.31Å; I189-M212 PolarHBondContact N-O 3.06Å; M212-F227 HydrophobicContact CB-CE1 4.35Å; M212-F227 HydrophobicContact CG-CD1 3.99Å; M212-F227 HydrophobicContact CG-CD2 4.09Å; M212-F227 HydrophobicContact CG-CE1 3.65Å; M212-F227 HydrophobicContact CG-CE2 3.77Å; M212-F227 HydrophobicContact CG-CG 4.21Å; M212-F227 HydrophobicContact CG-CZ 3.53Å; M212-F227 WeakPolarHBondContact CG-O 3.2Å; M212-F227 HydrophobicContact SD-CE2 4.45Å; M212-F227 VanDerWaalsContact SD-O 3.42Å; M212-I427 HydrophobicContact CE-CD1 4.16Å; M212-I427 HydrophobicContact CE-CG2 4.06Å; M212-I427 HydrophobicContact SD-CD1 4.34Å; M212-I427 HydrophobicContact SD-CG1 4.38Å; M212-I427 HydrophobicContact SD-CG2 4.43Å
213	L	96.8	Very high	92	Very high	16 Å²	16	32.9 Å²	32.9	8%	0.084	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.8	173.7	-64.6	-178	0	0	0	110.7	I189 L204 I208 K215 D228 V229	I189-L213 HydrophobicContact CB-CD2 3.97Å; I189-L213 HydrophobicContact CD1-CD2 4.49Å; I189-L213 HydrophobicContact CG2-CD2 4.3Å; L204-L213 HydrophobicContact CD1-CD2 3.92Å; I208-L213 HydrophobicContact CD1-CD1 3.75Å; I208-L213 HydrophobicContact CD1-CD2 3.83Å; I208-L213 HydrophobicContact CD1-CG 3.77Å; I208-L213 HydrophobicContact CG2-CD2 4.26Å; L213-K215 HydrophobicContact CB-CB 4.27Å; L213-D228 WeakPolarHBondContact CB-OD1 3.47Å; L213-D228 PolarHBondContact N-OD1 3.06Å; L213-D228 WeakPolarHBondContact O-CB 3.28Å; L213-V229 PolarHBondContact O-N 2.93Å
214	A	98.2	Very high	92.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	88.9	159.7	0	0	0	0	0	108.3	I188 I189 F190 N191 V229 I231 T423	I188-A214 HydrophobicContact CD1-CB 3.84Å; I188-A214 HydrophobicContact CG1-CB 4.11Å; I189-A214 PolarHBondContact O-N 2.79Å; F190-A214 CarbonylContact C-O 3.51Å; F190-A214 WeakPolarHBondContact CA-O 3.3Å; F190-A214 HydrophobicContact CD1-CB 3.56Å; F190-A214 HydrophobicContact CE1-CB 3.68Å; F190-A214 HydrophobicContact CG-CB 4.12Å; F190-A214 HydrophobicContact CZ-CB 4.33Å; N191-A214 PolarHBondContact N-O 2.93Å; A214-V229 CarbonylContact C-O 3.58Å; A214-V229 VanDerWaalsContact CA-O 3.26Å; A214-V229 WeakPolarHBondContact CA-O 3.48Å; A214-I231 HydrophobicContact CB-CD1 4.35Å; A214-I231 HydrophobicContact CB-CG2 4.17Å; A214-I231 VanDerWaalsContact O-CD1 3.31Å; A214-I231 WeakPolarHBondContact O-CD1 3.33Å; A214-T423 HydrophobicContact CB-CG2 4.02Å
215	K	96.2	Very high	92.9	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.4	-166.5	-174.1	176	-179.9	-170.3	0	112.8	N191 S194 E202 L213 I218 V229 I231	N191-K215 HydrophobicContact CB-CG 4.25Å; N191-K215 CarbonylContact O-C 3.59Å; N191-K215 WeakPolarHBondContact O-CA 3.27Å; S194-K215 WeakPolarHBondContact OG-CE 3.38Å; S194-K215 PolarHBondContact OG-NZ 2.7Å; E202-K215 PolarHBondContact O-NZ 3.35Å; E202-K215 IonicContact OE2-NZ 2.64Å; E202-K215 PolarHBondContact OE2-NZ 3.02Å; L213-K215 HydrophobicContact CB-CB 4.27Å; K215-I218 HydrophobicContact CB-CB 4.25Å; K215-I218 HydrophobicContact CB-CD1 4.18Å; K215-I218 HydrophobicContact CD-CB 4.08Å; K215-I218 HydrophobicContact CD-CD1 3.98Å; K215-I218 HydrophobicContact CD-CG1 4.12Å; K215-I218 HydrophobicContact CG-CB 4.13Å; K215-V229 PolarHBondContact N-O 3.22Å; K215-I231 VanDerWaalsContact C-CG1 3.49Å; K215-I231 PolarHBondContact O-N 3.15Å; K215-I231 VanDerWaalsContact O-N 3.13Å
216	A	95.9	Very high	93.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	149.3	168.8	0	0	0	0	0	111.5	N191 L192 I218 I231 L233	N191-A216 PolarHBondContact O-N 3.45Å; L192-A216 HydrophobicContact CD2-CB 3.88Å; A216-I218 PolarHBondContact O-N 3.35Å; A216-I231 VanDerWaalsContact CA-O 3.28Å; A216-I231 WeakPolarHBondContact CA-O 3.39Å; A216-I231 HydrophobicContact CB-CG1 4.25Å; A216-L233 HydrophobicContact CB-CB 4.13Å; A216-L233 HydrophobicContact CB-CD1 4.16Å
217	S	93.3	Very high	93.7	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	26.5	177.2	-47.5	0	0	0	0	114.7	G340	S217-G340 VanDerWaalsContact CB-N 3.32Å; S217-G340 VanDerWaalsContact OG-CA 3.25Å; S217-G340 WeakPolarHBondContact OG-CA 3.06Å; S217-G340 PolarHBondContact OG-N 3.2Å; S217-G340 VanDerWaalsContact OG-N 3.11Å
218	I	93.4	Very high	94.1	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.015	16%	0.161	C	C	.	.			trans	-72.2	134.2	-179.5	-168.4	162.6	0	0	0	111.3	K215 A216 F223 E362	K215-I218 HydrophobicContact CB-CB 4.25Å; K215-I218 HydrophobicContact CB-CD1 4.18Å; K215-I218 HydrophobicContact CD-CB 4.08Å; K215-I218 HydrophobicContact CD-CD1 3.98Å; K215-I218 HydrophobicContact CD-CG1 4.12Å; K215-I218 HydrophobicContact CG-CB 4.13Å; A216-I218 PolarHBondContact O-N 3.35Å; I218-F223 HydrophobicContact CD1-CB 4.14Å; I218-F223 HydrophobicContact CD1-CD2 4Å; I218-F223 HydrophobicContact CG1-CB 4.12Å; I218-F223 HydrophobicContact CG2-CB 4.41Å; I218-F223 HydrophobicContact CG2-CD2 3.89Å; I218-F223 HydrophobicContact CG2-CG 4.47Å; I218-E362 HydrophobicContact CG2-CB 3.94Å; I218-E362 PolarHBondContact O-N 3.48Å; I218-E362 VanDerWaalsContact O-N 3.11Å
219	S	92.8	Very high	94.4	Very high	12 Å²	12	29.6 Å²	29.6	8%	0.084	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-71.7	142.9	173.6	172.5	0	0	0	0	111.4	E202 E221 N222 F223 G360	E202-S219 WeakPolarHBondContact OE1-CB 3.35Å; E202-S219 PolarHBondContact OE1-N 3.44Å; E202-S219 PolarHBondContact OE2-N 2.95Å; S219-E221 PolarHBondContact O-N 2.91Å; S219-E221 VanDerWaalsContact O-N 3.09Å; S219-E221 PolarHBondContact OG-N 3.16Å; S219-E221 VanDerWaalsContact OG-N 3.1Å; S219-N222 PolarHBondContact O-N 3.49Å; S219-F223 WeakPolarHBondContact O-CB 3.28Å; S219-F223 PolarHBondContact O-N 3.48Å; S219-G360 CarbonylContact C-O 3.5Å; S219-G360 VanDerWaalsContact CA-O 3.29Å; S219-G360 WeakPolarHBondContact CA-O 3.46Å
220	T	92.3	Very high	94.7	Very high	70 Å²	70	29.4 Å²	29.4	43%	0.429	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-22	170.4	52.8	0	0	0	0	112.9	G360 E362	T220-G360 PolarHBondContact N-O 3.39Å; T220-G360 PolarHBondContact OG1-O 3.41Å; T220-E362 HydrophobicContact CG2-CB 4.26Å
221	E	89.9	Confident	94.9	Very high	152 Å²	152	27.8 Å²	27.8	71%	0.71	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-21.5	177.8	-61.6	179.3	178.7	0	0	114.1	K93 S219	K93-E221 PolarHBondContact NZ-O 3.19Å; S219-E221 PolarHBondContact O-N 2.91Å; S219-E221 VanDerWaalsContact O-N 3.09Å; S219-E221 PolarHBondContact OG-N 3.16Å; S219-E221 VanDerWaalsContact OG-N 3.1Å
222	N	89.4	Confident	95	Very high	55 Å²	55	27.8 Å²	27.8	29%	0.294	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-19.9	-178.4	-66.7	-29.7	0	0	0	112.5	K93 E202 S219	K93-N222 WeakPolarHBondContact CE-OD1 3.24Å; K93-N222 PolarHBondContact NZ-OD1 2.63Å; E202-N222 WeakPolarHBondContact OE2-CB 3.39Å; E202-N222 PolarHBondContact OE2-ND2 2.78Å; S219-N222 PolarHBondContact O-N 3.49Å
223	F	92.6	Very high	94.9	Very high	21 Å²	21	28.4 Å²	28.4	9%	0.092	15%	0.15	C	C	.	.			trans	-63.8	129.4	175.3	-177.2	-113.8	0	0	0	110.8	I218 S219 P225 D228 E362	I218-F223 HydrophobicContact CD1-CB 4.14Å; I218-F223 HydrophobicContact CD1-CD2 4Å; I218-F223 HydrophobicContact CG1-CB 4.12Å; I218-F223 HydrophobicContact CG2-CB 4.41Å; I218-F223 HydrophobicContact CG2-CD2 3.89Å; I218-F223 HydrophobicContact CG2-CG 4.47Å; S219-F223 WeakPolarHBondContact O-CB 3.28Å; S219-F223 PolarHBondContact O-N 3.48Å; F223-P225 HydrophobicContact CD1-CG 4.32Å; F223-P225 HydrophobicContact CE1-CB 4.37Å; F223-P225 VanDerWaalsContact O-CD 3.3Å; F223-P225 WeakPolarHBondContact O-CD 3.36Å; F223-D228 HydrophobicContact CD2-CB 3.69Å; F223-D228 HydrophobicContact CE2-CB 3.53Å; F223-D228 HydrophobicContact CZ-CB 4.45Å; F223-E362 HydrophobicContact CB-CB 4.47Å; F223-E362 HydrophobicContact CD1-CB 4.46Å; F223-E362 HydrophobicContact CD1-CG 3.71Å; F223-E362 HydrophobicContact CD2-CG 4.12Å; F223-E362 HydrophobicContact CE1-CG 3.8Å; F223-E362 HydrophobicContact CE2-CG 4.21Å; F223-E362 HydrophobicContact CG-CB 4.29Å; F223-E362 HydrophobicContact CG-CG 3.88Å; F223-E362 HydrophobicContact CZ-CG 4.07Å
224	R	94.5	Very high	94.8	Very high	8 Å²	8	27.8 Å²	27.8	3%	0.03	15%	0.147	C	C	.	.			trans	-93.3	104	172.1	-61.2	171.6	-72.2	-176.8	4.1	109	G92 A211 F227 D228	G92-R224 WeakPolarHBondContact O-CD 3.22Å; A211-R224 PolarHBondContact O-NH1 3.05Å; A211-R224 PolarHBondContact O-NH2 3.35Å; R224-F227 HydrophobicContact CB-CB 4.04Å; R224-F227 HydrophobicContact CB-CD1 4.35Å; R224-F227 PolarHBondContact O-N 3.3Å; R224-F227 VanDerWaalsContact O-N 3.17Å; R224-D228 HydrophobicContact CB-CB 4.47Å; R224-D228 VanDerWaalsContact CB-OD2 3.27Å; R224-D228 WeakPolarHBondContact CB-OD2 3.15Å; R224-D228 WeakPolarHBondContact CG-OD2 3.28Å; R224-D228 IonicContact CZ-OD1 3.97Å; R224-D228 IonicContact CZ-OD2 3.35Å; R224-D228 PolarHBondContact N-OD2 2.84Å; R224-D228 VanDerWaalsContact N-OD2 3.08Å; R224-D228 IonicContact NE-OD1 2.78Å; R224-D228 PolarHBondContact NE-OD1 3.04Å; R224-D228 IonicContact NE-OD2 3.27Å; R224-D228 PolarHBondContact NE-OD2 2.83Å; R224-D228 IonicContact NH2-OD1 2.71Å; R224-D228 PolarHBondContact NH2-OD1 3.45Å; R224-D228 IonicContact NH2-OD2 2.66Å; R224-D228 PolarHBondContact O-N 3.49Å
225	P	93.7	Very high	94.5	Very high	93 Å²	93	29.5 Å²	29.5	60%	0.604	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	142	-175.1	-22.2	34.8	0	0	0	111.4	F223 F227	F223-P225 HydrophobicContact CD1-CG 4.32Å; F223-P225 HydrophobicContact CE1-CB 4.37Å; F223-P225 VanDerWaalsContact O-CD 3.3Å; F223-P225 WeakPolarHBondContact O-CD 3.36Å; P225-F227 PolarHBondContact O-N 3.18Å
226	Q	93.7	Very high	94.2	Very high	134 Å²	134	35.1 Å²	35.1	63%	0.626	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	8.7	-178.7	-57.5	176.6	-23.2	0	0	115	M97 E367 R430	M97-Q226 VanDerWaalsContact CG-O 3.26Å; M97-Q226 WeakPolarHBondContact CG-O 3.47Å; Q226-E367 WeakPolarHBondContact CA-OE2 3.4Å; Q226-R430 WeakPolarHBondContact O-CD 3.4Å; Q226-R430 PolarHBondContact O-NE 3.35Å
227	F	96.3	Very high	93.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-53.7	175.7	-171.2	-104.5	0	0	0	111.1	C95 R96 M97 C100 F101 F210 M212 R224 P225 R430	C95-F227 HydrophobicContact CB-CD1 3.81Å; C95-F227 HydrophobicContact CB-CE1 3.63Å; C95-F227 HydrophobicContact CB-CG 4.35Å; C95-F227 HydrophobicContact CB-CZ 4.03Å; R96-F227 VanDerWaalsContact C-CD2 3.4Å; M97-F227 HydrophobicContact CG-CD2 4.32Å; M97-F227 HydrophobicContact SD-CD2 3.84Å; M97-F227 HydrophobicContact SD-CE2 4.31Å; C100-F227 HydrophobicContact CB-CE1 4.37Å; C100-F227 HydrophobicContact CB-CE2 3.75Å; C100-F227 HydrophobicContact CB-CZ 3.52Å; F101-F227 HydrophobicContact CB-CE2 4.31Å; F210-F227 VanDerWaalsContact O-CZ 3.31Å; F210-F227 WeakPolarHBondContact O-CZ 3.33Å; M212-F227 HydrophobicContact CB-CE1 4.35Å; M212-F227 HydrophobicContact CG-CD1 3.99Å; M212-F227 HydrophobicContact CG-CD2 4.09Å; M212-F227 HydrophobicContact CG-CE1 3.65Å; M212-F227 HydrophobicContact CG-CE2 3.77Å; M212-F227 HydrophobicContact CG-CG 4.21Å; M212-F227 HydrophobicContact CG-CZ 3.53Å; M212-F227 WeakPolarHBondContact CG-O 3.2Å; M212-F227 HydrophobicContact SD-CE2 4.45Å; M212-F227 VanDerWaalsContact SD-O 3.42Å; R224-F227 HydrophobicContact CB-CB 4.04Å; R224-F227 HydrophobicContact CB-CD1 4.35Å; R224-F227 PolarHBondContact O-N 3.3Å; R224-F227 VanDerWaalsContact O-N 3.17Å; P225-F227 PolarHBondContact O-N 3.18Å; F227-R430 VanDerWaalsContact C-NH1 3.31Å; F227-R430 PolarHBondContact O-NH1 3.09Å
228	D	97.3	Very high	94	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.215	C	C	.	.	S	Bend	trans	-78.3	165.3	171.5	-68.7	-33.3	0	0	0	111.7	L213 F223 R224 R430	L213-D228 WeakPolarHBondContact CB-OD1 3.47Å; L213-D228 PolarHBondContact N-OD1 3.06Å; L213-D228 WeakPolarHBondContact O-CB 3.28Å; F223-D228 HydrophobicContact CD2-CB 3.69Å; F223-D228 HydrophobicContact CE2-CB 3.53Å; F223-D228 HydrophobicContact CZ-CB 4.45Å; R224-D228 HydrophobicContact CB-CB 4.47Å; R224-D228 VanDerWaalsContact CB-OD2 3.27Å; R224-D228 WeakPolarHBondContact CB-OD2 3.15Å; R224-D228 WeakPolarHBondContact CG-OD2 3.28Å; R224-D228 IonicContact CZ-OD1 3.97Å; R224-D228 IonicContact CZ-OD2 3.35Å; R224-D228 PolarHBondContact N-OD2 2.84Å; R224-D228 VanDerWaalsContact N-OD2 3.08Å; R224-D228 IonicContact NE-OD1 2.78Å; R224-D228 PolarHBondContact NE-OD1 3.04Å; R224-D228 IonicContact NE-OD2 3.27Å; R224-D228 PolarHBondContact NE-OD2 2.83Å; R224-D228 IonicContact NH2-OD1 2.71Å; R224-D228 PolarHBondContact NH2-OD1 3.45Å; R224-D228 IonicContact NH2-OD2 2.66Å; R224-D228 PolarHBondContact O-N 3.49Å; D228-R430 PolarHBondContact O-NH1 3.47Å; D228-R430 PolarHBondContact O-NH2 3.15Å
229	V	98.3	Very high	94	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.4	174.9	-173.8	0	0	0	0	109.1	L213 A214 K215 I231 F365 T423 I426 I427	L213-V229 PolarHBondContact O-N 2.93Å; A214-V229 CarbonylContact C-O 3.58Å; A214-V229 VanDerWaalsContact CA-O 3.26Å; A214-V229 WeakPolarHBondContact CA-O 3.48Å; K215-V229 PolarHBondContact N-O 3.22Å; V229-I231 HydrophobicContact CG1-CG2 4.11Å; V229-I231 PolarHBondContact O-N 3.26Å; V229-F365 HydrophobicContact CG1-CD1 3.78Å; V229-F365 HydrophobicContact CG1-CE1 3.77Å; V229-T423 HydrophobicContact CB-CG2 4.14Å; V229-T423 HydrophobicContact CG1-CG2 4.04Å; V229-T423 HydrophobicContact CG2-CG2 4.16Å; V229-I426 HydrophobicContact CG1-CD1 4.15Å; V229-I426 HydrophobicContact CG2-CG2 4.37Å; V229-I427 HydrophobicContact CG2-CD1 4.41Å; V229-I427 HydrophobicContact CG2-CG1 4.21Å
230	S	97.8	Very high	94	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.8	170.3	-178.4	0	0	0	0	109.6	E362 L363 P364 F365	S230-E362 PolarHBondContact OG-O 3.29Å; S230-L363 WeakPolarHBondContact CB-O 3.34Å; S230-L363 PolarHBondContact OG-O 2.77Å; S230-P364 CarbonylContact O-C 3.6Å; S230-P364 WeakPolarHBondContact O-CA 3.1Å; S230-F365 WeakPolarHBondContact O-CD1 3.3Å; S230-F365 PolarHBondContact O-N 2.93Å
231	I	98.2	Very high	93.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	156.5	180	62.5	169	0	0	0	110.5	F190 L192 A214 K215 A216 V229 F365 I419	F190-I231 HydrophobicContact CD1-CD1 4.22Å; L192-I231 HydrophobicContact CD2-CD1 3.91Å; A214-I231 HydrophobicContact CB-CD1 4.35Å; A214-I231 HydrophobicContact CB-CG2 4.17Å; A214-I231 VanDerWaalsContact O-CD1 3.31Å; A214-I231 WeakPolarHBondContact O-CD1 3.33Å; K215-I231 VanDerWaalsContact C-CG1 3.49Å; K215-I231 PolarHBondContact O-N 3.15Å; K215-I231 VanDerWaalsContact O-N 3.13Å; A216-I231 VanDerWaalsContact CA-O 3.28Å; A216-I231 WeakPolarHBondContact CA-O 3.39Å; A216-I231 HydrophobicContact CB-CG1 4.25Å; V229-I231 HydrophobicContact CG1-CG2 4.11Å; V229-I231 PolarHBondContact O-N 3.26Å; I231-F365 HydrophobicContact CG2-CE1 3.84Å; I231-F365 HydrophobicContact CG2-CZ 4.25Å; I231-I419 HydrophobicContact CB-CG2 4.29Å; I231-I419 HydrophobicContact CG2-CG2 4.46Å
232	P	96.9	Very high	93.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.			trans	-73.3	153	178.3	34.9	-39.3	0	0	0	111.2	F234 F344 L345 P364 F413 I419	P232-F234 WeakPolarHBondContact O-CD1 3.39Å; P232-F234 PolarHBondContact O-N 3.05Å; P232-F344 HydrophobicContact CB-CD1 4.48Å; P232-L345 HydrophobicContact CB-CD1 4.07Å; P232-L345 HydrophobicContact CB-CD2 3.7Å; P232-L345 HydrophobicContact CB-CG 4.03Å; P232-L345 HydrophobicContact CG-CD1 4.43Å; P232-L345 HydrophobicContact CG-CD2 4.24Å; P232-P364 HydrophobicContact CB-CB 4.12Å; P232-P364 HydrophobicContact CB-CG 3.87Å; P232-F413 HydrophobicContact CB-CD1 4.31Å; P232-F413 HydrophobicContact CB-CE1 4.31Å; P232-F413 HydrophobicContact CG-CD1 3.77Å; P232-F413 HydrophobicContact CG-CE1 3.93Å; P232-I419 HydrophobicContact CG-CD1 3.61Å; P232-I419 HydrophobicContact CG-CG1 3.88Å; P232-I419 HydrophobicContact CG-CG2 4.21Å
233	L	95.6	Very high	93	Very high	14 Å²	14	37.9 Å²	37.9	7%	0.073	20%	0.196	C	C	.	.			trans	-79.3	116.1	168.6	-174.6	65.1	0	0	0	109.6	L192 Y193 A216 F342 L345	L192-L233 HydrophobicContact CB-CD1 3.95Å; L192-L233 WeakPolarHBondContact O-CD1 3.46Å; Y193-L233 HydrophobicContact CD1-CD1 4.12Å; Y193-L233 HydrophobicContact CE1-CD1 3.68Å; A216-L233 HydrophobicContact CB-CB 4.13Å; A216-L233 HydrophobicContact CB-CD1 4.16Å; L233-F342 HydrophobicContact CD1-CE1 4.3Å; L233-F342 HydrophobicContact CD2-CD1 4.18Å; L233-F342 HydrophobicContact CD2-CE1 3.94Å; L233-F342 HydrophobicContact CD2-CE2 4.41Å; L233-F342 HydrophobicContact CD2-CZ 4.06Å; L233-F342 HydrophobicContact CG-CD1 3.93Å; L233-F342 HydrophobicContact CG-CE1 3.58Å; L233-F342 HydrophobicContact CG-CZ 4.12Å; L233-L345 WeakPolarHBondContact O-CD1 3.37Å
234	F	94.8	Very high	92.4	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	22%	0.215	C	C	.	.			trans	-119.3	148.5	177.2	59.4	-95.6	0	0	0	111.7	I131 L192 Y193 P232 H238 F342 L345 V416 I419	I131-F234 HydrophobicContact CD1-CZ 4.14Å; I131-F234 HydrophobicContact CG1-CZ 4.34Å; L192-F234 HydrophobicContact CD1-CD1 4.39Å; L192-F234 HydrophobicContact CD1-CD2 4.14Å; L192-F234 HydrophobicContact CD1-CE1 4.03Å; L192-F234 HydrophobicContact CD1-CE2 3.75Å; L192-F234 HydrophobicContact CD1-CG 4.45Å; L192-F234 HydrophobicContact CD1-CZ 3.71Å; L192-F234 HydrophobicContact CD2-CD1 4.13Å; L192-F234 HydrophobicContact CD2-CE1 3.78Å; L192-F234 HydrophobicContact CD2-CZ 4.24Å; L192-F234 HydrophobicContact CG-CE1 4.49Å; L192-F234 HydrophobicContact CG-CZ 4.48Å; Y193-F234 PolarHBondContact OH-O 3.21Å; P232-F234 WeakPolarHBondContact O-CD1 3.39Å; P232-F234 PolarHBondContact O-N 3.05Å; F234-H238 HydrophobicContact CB-CB 3.89Å; F234-H238 HydrophobicContact CD2-CB 4.22Å; F234-H238 HydrophobicContact CG-CB 4.45Å; F234-F342 VanDerWaalsContact C-CE1 3.47Å; F234-L345 HydrophobicContact CB-CD1 3.86Å; F234-V416 HydrophobicContact CD2-CG2 4.02Å; F234-V416 HydrophobicContact CE2-CG1 4.32Å; F234-V416 HydrophobicContact CE2-CG2 3.77Å; F234-V416 HydrophobicContact CZ-CG1 4.12Å; F234-V416 HydrophobicContact CZ-CG2 4.27Å; F234-I419 HydrophobicContact CD1-CD1 3.78Å; F234-I419 HydrophobicContact CE1-CD1 4.25Å; F234-I419 HydrophobicContact CE1-CG2 4.41Å; F234-I419 HydrophobicContact CG-CD1 4.4Å
235	S	91	Very high	91.9	Very high	36 Å²	36	47.8 Å²	47.8	25%	0.252	24%	0.237	S	C	.	.			trans	-85.7	170.6	-178.6	76.9	0	0	0	0	111.4	E237 H238	S235-E237 WeakPolarHBondContact CB-OE2 3.13Å; S235-E237 PolarHBondContact O-N 2.89Å; S235-E237 PolarHBondContact OG-N 3.35Å; S235-E237 PolarHBondContact OG-OE2 2.79Å; S235-H238 WeakPolarHBondContact O-CB 3.44Å; S235-H238 PolarHBondContact O-N 3.43Å
236	K	90.1	Very high	91.1	Very high	124 Å²	124	43.9 Å²	43.9	54%	0.539	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.4	176.4	65.2	178.7	-176	172.8	0	113.1	H238	K236-H238 VanDerWaalsContact C-N 3.26Å; K236-H238 PolarHBondContact O-N 2.88Å
237	E	90.8	Very high	90.2	Very high	129 Å²	129	40.4 Å²	40.4	60%	0.603	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.1	176.9	-53.6	78	-166.5	0	0	112.8	S235	S235-E237 WeakPolarHBondContact CB-OE2 3.13Å; S235-E237 PolarHBondContact O-N 2.89Å; S235-E237 PolarHBondContact OG-N 3.35Å; S235-E237 PolarHBondContact OG-OE2 2.79Å
238	H	94.4	Very high	89	Confident	20 Å²	20	42.5 Å²	42.5	9%	0.093	21%	0.206	C	C	.	.	S	Bend	trans	-66	127.4	177.6	-166.2	69.7	0	0	0	109.7	F234 S235 K236 R240 W409 F413 S415	F234-H238 HydrophobicContact CB-CB 3.89Å; F234-H238 HydrophobicContact CD2-CB 4.22Å; F234-H238 HydrophobicContact CG-CB 4.45Å; S235-H238 WeakPolarHBondContact O-CB 3.44Å; S235-H238 PolarHBondContact O-N 3.43Å; K236-H238 VanDerWaalsContact C-N 3.26Å; K236-H238 PolarHBondContact O-N 2.88Å; H238-R240 PolarHBondContact O-N 3.01Å; H238-W409 AromaticContact CE1-CH2 3.88Å; H238-F413 PolarHBondContact CE1-O 3.2Å; H238-F413 PolarHBondContact NE2-O 2.7Å; H238-F413 VanDerWaalsContact NE2-O 3.1Å; H238-S415 WeakPolarHBondContact NE2-CA 3.47Å; H238-S415 PolarHBondContact NE2-N 3.18Å
239	P	93.8	Very high	87.4	Confident	47 Å²	47	51.8 Å²	51.8	31%	0.305	24%	0.241	S	C	.	.			trans	-64	139.8	-170.4	24.3	-34.1	0	0	0	111.6	G243 N414 S415 V416	P239-G243 VanDerWaalsContact CG-CA 3.4Å; P239-N414 WeakPolarHBondContact CG-O 3.4Å; P239-S415 CarbonylContact O-C 3.46Å; P239-S415 VanDerWaalsContact O-CA 3.26Å; P239-S415 WeakPolarHBondContact O-CA 3.47Å; P239-S415 WeakPolarHBondContact O-CB 3.5Å; P239-V416 PolarHBondContact O-N 2.8Å
240	R	93.4	Very high	85.3	Confident	104 Å²	104	59.9 Å²	59.9	39%	0.392	28%	0.278	S	S	.	.	S	Bend	trans	-62.8	-52.4	176.3	-173.2	-171.7	67.1	143.8	1.6	111.6	N130 H238 S415 E417	N130-R240 HydrophobicContact CB-CB 4.41Å; N130-R240 HydrophobicContact CB-CG 3.98Å; N130-R240 VanDerWaalsContact OD1-CD 3.32Å; N130-R240 WeakPolarHBondContact OD1-CD 3.49Å; H238-R240 PolarHBondContact O-N 3.01Å; R240-S415 WeakPolarHBondContact O-CB 3.38Å; R240-E417 VanDerWaalsContact O-CB 3.25Å; R240-E417 WeakPolarHBondContact O-CB 3.4Å; R240-E417 PolarHBondContact O-N 2.98Å
241	T	90.1	Very high	82.9	Confident	31 Å²	31	67 Å²	67	19%	0.19	32%	0.316	C	S	.	.	S	Bend	trans	-131.9	151.6	-178.5	53.3	0	0	0	0	109.9	G243 E417	T241-G243 PolarHBondContact O-N 2.88Å; T241-E417 HydrophobicContact CG2-CB 4.22Å
242	G	77.8	Confident	80.8	Confident	15 Å²	15	70.7 Å²	70.7	16%	0.155	34%	0.339	C	S	.	.	S	Bend	trans	57.1	41.1	168.2	0	0	0	0	0	117.3
243	G	81.4	Confident	79	Confident	9 Å²	9	77.5 Å²	77.5	9%	0.093	37%	0.374	C	S	.	.			trans	-66.7	174	-175.5	0	0	0	0	0	115.9	P239 T241 N414	P239-G243 VanDerWaalsContact CG-CA 3.4Å; T241-G243 PolarHBondContact O-N 2.88Å; G243-N414 WeakPolarHBondContact CA-O 3.39Å; G243-N414 PolarHBondContact N-O 3.44Å; G243-N414 PolarHBondContact O-ND2 2.65Å
244	E	81.8	Confident	77.3	Confident	104 Å²	104	78.8 Å²	78.8	49%	0.486	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-54.2	142.4	-171.6	-65.3	-169.7	169.5	0	0	112.5	Y247 Q349 W409	E244-Y247 PolarHBondContact OE2-OH 2.76Å; E244-Q349 PolarHBondContact OE2-NE2 2.88Å; E244-W409 PolarHBondContact O-NE1 2.82Å
245	R	83.1	Confident	75.7	Confident	132 Å²	132	79.9 Å²	79.9	50%	0.498	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-64.7	154.7	170.8	-64.7	-170	-174.3	-170.4	2.2	110	M712	R245-M712 PolarHBondContact NH2-O 2.83Å
246	G	76.7	Confident	74.7	Confident	11 Å²	11	89.1 Å²	89.1	11%	0.113	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-65.2	160	172.6	0	0	0	0	0	112
247	Y	75.9	Confident	74.4	Confident	61 Å²	61	84.4 Å²	84.4	24%	0.239	40%	0.4	C	S	.	.	S	Bend	trans	-86.1	-2.1	-173.6	-76.1	-98.3	0	0	0	114.7	E244 R249 R322 Y326 Q349	E244-Y247 PolarHBondContact OE2-OH 2.76Å; Y247-R249 PolarHBondContact O-N 3.26Å; Y247-R322 PolarHBondContact OH-NH2 2.96Å; Y247-Y326 AromaticContact CD1-CD1 3.75Å; Y247-Y326 HydrophobicContact CD1-CD1 3.75Å; Y247-Y326 HydrophobicContact CD1-CD2 4.47Å; Y247-Y326 AromaticContact CD1-CE1 3.6Å; Y247-Y326 HydrophobicContact CD1-CE1 3.6Å; Y247-Y326 HydrophobicContact CD1-CE2 4.32Å; Y247-Y326 HydrophobicContact CD1-CG 4.23Å; Y247-Y326 AromaticContact CD1-CZ 3.92Å; Y247-Y326 HydrophobicContact CD2-CD1 4.11Å; Y247-Y326 AromaticContact CD2-CE1 3.52Å; Y247-Y326 HydrophobicContact CD2-CE1 3.52Å; Y247-Y326 HydrophobicContact CE1-CD1 4.11Å; Y247-Y326 HydrophobicContact CE1-CD2 4.36Å; Y247-Y326 AromaticContact CE1-CE1 3.54Å; Y247-Y326 HydrophobicContact CE1-CE1 3.54Å; Y247-Y326 AromaticContact CE1-CE2 3.8Å; Y247-Y326 HydrophobicContact CE1-CE2 3.8Å; Y247-Y326 AromaticContact CE1-CZ 3.39Å; Y247-Y326 HydrophobicContact CE2-CD1 4.46Å; Y247-Y326 AromaticContact CE2-CE1 3.48Å; Y247-Y326 HydrophobicContact CE2-CE1 3.48Å; Y247-Y326 VanDerWaalsContact CE2-CE1 3.48Å; Y247-Y326 AromaticContact CE2-CZ 3.76Å; Y247-Y326 AromaticContact CG-CD1 3.76Å; Y247-Y326 HydrophobicContact CG-CD1 3.76Å; Y247-Y326 AromaticContact CG-CE1 3.6Å; Y247-Y326 HydrophobicContact CG-CE1 3.6Å; Y247-Y326 AromaticContact CZ-CE1 3.51Å; Y247-Y326 AromaticContact CZ-CZ 3.31Å; Y247-Y326 PolarHBondContact OH-OH 3.07Å; Y247-Q349 HydrophobicContact CD2-CG 4.03Å; Y247-Q349 WeakPolarHBondContact CD2-O 3.45Å; Y247-Q349 HydrophobicContact CE2-CG 3.87Å; Y247-Q349 PolarHBondContact N-O 2.89Å
248	L	71	Confident	74.4	Confident	44 Å²	44	84.1 Å²	84.1	23%	0.23	40%	0.397	C	S	.	.			trans	-77	85.5	174.6	-167	69.4	0	0	0	110.4	A351 R402 Q403 Q406	L248-A351 HydrophobicContact CB-CB 3.84Å; L248-A351 HydrophobicContact CD1-CB 4.47Å; L248-R402 HydrophobicContact CD2-CB 4.47Å; L248-Q403 HydrophobicContact CD2-CG 4.29Å; L248-Q406 HydrophobicContact CB-CG 3.64Å; L248-Q406 HydrophobicContact CD2-CG 4.13Å
249	R	63.3	Low	74.4	Confident	196 Å²	196	83.8 Å²	83.8	74%	0.74	40%	0.395	S	S	*	.			trans	-80.3	144.7	175.5	-62.6	-173.7	-179.3	-171.2	1.2	110.9	Y247 N251	Y247-R249 PolarHBondContact O-N 3.26Å; R249-N251 PolarHBondContact O-N 3.13Å
250	H	54.6	Low	74.4	Confident	174 Å²	174	83.3 Å²	83.3	81%	0.806	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-5	-170.7	-68.5	77.7	0	0	0	117.1
251	N	47.6	Very low	74.6	Confident	152 Å²	152	78.4 Å²	78.4	81%	0.813	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	7.9	-165.5	-69.4	4.3	0	0	0	115.6	R249	R249-N251 PolarHBondContact O-N 3.13Å
252	T	52.3	Low	74.9	Confident	80 Å²	80	77 Å²	77	49%	0.491	36%	0.364	S	S	.	.			trans	-139.1	97.9	172.8	39.2	0	0	0	0	110.1	P254 P255	T252-P254 CarbonylContact O-C 3.47Å; T252-P254 WeakPolarHBondContact O-CA 3.36Å; T252-P255 WeakPolarHBondContact O-CD 3.33Å
253	I	59.9	Low	75.8	Confident	143 Å²	143	76.5 Å²	76.5	73%	0.733	36%	0.357	S	S	*	.	S	Bend	trans	-101.6	119.2	174.6	-59.3	173	0	0	0	108	L399	I253-L399 HydrophobicContact CG2-CD2 4.01Å
254	P	59.8	Low	76.4	Confident	41 Å²	41	77 Å²	77	27%	0.266	36%	0.357	S	S	.	.	S	Bend		-70.3	149.8	-51.1	27.9	-28	0	0	0	111.4	T252 Y256 Q395	T252-P254 CarbonylContact O-C 3.47Å; T252-P254 WeakPolarHBondContact O-CA 3.36Å; P254-Y256 PolarHBondContact O-N 3.12Å; P254-Q395 HydrophobicContact CG-CG 3.63Å
255	P	62.2	Low	76.8	Confident	25 Å²	25	72.4 Å²	72.4	16%	0.162	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-65.4	127.2	179.1	26.5	-29.9	0	0	0	109.5	T252 R257	T252-P255 WeakPolarHBondContact O-CD 3.33Å; P255-R257 HydrophobicContact CB-CG 4.37Å; P255-R257 HydrophobicContact CG-CG 4.28Å; P255-R257 PolarHBondContact O-N 2.79Å
256	Y	69.2	Low	77.1	Confident	230 Å²	230	70.5 Å²	70.5	90%	0.902	33%	0.333	S	S	*	.			trans	-62.9	108.5	164.8	-163.6	-89.3	0	0	0	107	P254	P254-Y256 PolarHBondContact O-N 3.12Å
257	R	83.8	Confident	77.6	Confident	24 Å²	24	70.1 Å²	70.1	9%	0.091	33%	0.328	C	S	.	.			trans	-99.3	138.5	-179.7	-73.6	-158.8	-173.3	-171.3	-8.7	108.7	P255 Y259 Y326 N327 S328 A350 A351	P255-R257 HydrophobicContact CB-CG 4.37Å; P255-R257 HydrophobicContact CG-CG 4.28Å; P255-R257 PolarHBondContact O-N 2.79Å; R257-Y259 VanDerWaalsContact C-N 3.29Å; R257-Y259 PolarHBondContact O-N 2.86Å; R257-Y326 WeakPolarHBondContact CD-O 3.23Å; R257-Y326 PolarHBondContact NE-O 2.74Å; R257-Y326 VanDerWaalsContact NE-O 3.15Å; R257-Y326 PolarHBondContact NH1-O 2.8Å; R257-N327 WeakPolarHBondContact CB-O 3.24Å; R257-S328 WeakPolarHBondContact CD-O 3.08Å; R257-S328 PolarHBondContact NH1-O 2.83Å; R257-A350 PolarHBondContact NH1-O 2.87Å; R257-A350 VanDerWaalsContact NH1-O 3.12Å; R257-A350 PolarHBondContact NH2-O 3.3Å; R257-A351 PolarHBondContact NH1-O 2.97Å
258	K	90.1	Very high	77.7	Confident	124 Å²	124	68.6 Å²	68.6	54%	0.539	32%	0.322	S	S	.	.	S	Bend	trans	-58.7	-40.8	-175.4	-179.3	-179.8	175.2	-168.4	0	112.2	N327	K258-N327 WeakPolarHBondContact CB-ND2 3.32Å; K258-N327 PolarHBondContact N-O 3.47Å; K258-N327 PolarHBondContact N-OD1 2.73Å
259	Y	94.3	Very high	78	Confident	13 Å²	13	68.5 Å²	68.5	5%	0.051	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.7	-175.5	-49.9	-68	0	0	0	111.6	R257 V262 V290 M324 N327 S328 T329	R257-Y259 VanDerWaalsContact C-N 3.29Å; R257-Y259 PolarHBondContact O-N 2.86Å; Y259-V262 HydrophobicContact CD2-CG1 4.1Å; Y259-V262 HydrophobicContact CG-CG1 3.85Å; Y259-V290 HydrophobicContact CD1-CB 4.48Å; Y259-V290 HydrophobicContact CD1-CG2 3.67Å; Y259-V290 HydrophobicContact CE1-CG2 3.69Å; Y259-M324 HydrophobicContact CD2-CG 4.28Å; Y259-M324 HydrophobicContact CE2-CG 4.18Å; Y259-N327 HydrophobicContact CD2-CB 4.38Å; Y259-N327 WeakPolarHBondContact CD2-O 3.14Å; Y259-N327 PolarHBondContact N-O 2.94Å; Y259-S328 CarbonylContact O-C 3.51Å; Y259-S328 WeakPolarHBondContact O-CA 3.31Å; Y259-T329 PolarHBondContact O-N 2.97Å; Y259-T329 PolarHBondContact O-OG1 3.2Å
260	V	95	Very high	78.3	Confident	36 Å²	36	62.4 Å²	62.4	22%	0.218	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-52.2	172.4	172	0	0	0	0	109.5	D288 F330 V390 R391	V260-D288 HydrophobicContact CB-CB 4.33Å; V260-D288 HydrophobicContact CG2-CB 4.04Å; V260-D288 WeakPolarHBondContact CG2-OD2 3.33Å; V260-D288 PolarHBondContact N-O 3.39Å; V260-F330 HydrophobicContact CG1-CD2 4.4Å; V260-F330 WeakPolarHBondContact O-CB 3.26Å; V260-F330 WeakPolarHBondContact O-CD2 3.41Å; V260-F330 PolarHBondContact O-N 3.16Å; V260-V390 HydrophobicContact CG1-CG2 3.84Å; V260-R391 HydrophobicContact CG1-CG 4.17Å
261	L	96.8	Very high	78.9	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.3	-175.2	179	69.6	0	0	0	110.7	D288 V289 V290 L291 F330 L332 V355 I386 V390	L261-D288 PolarHBondContact N-O 3Å; L261-V289 HydrophobicContact CB-CG1 4.32Å; L261-V289 HydrophobicContact CB-CG2 4.36Å; L261-V289 HydrophobicContact CD2-CG1 4.17Å; L261-V289 CarbonylContact O-C 3.58Å; L261-V289 WeakPolarHBondContact O-CA 3.2Å; L261-V290 PolarHBondContact O-N 3.09Å; L261-L291 HydrophobicContact CD2-CD2 4.32Å; L261-L291 HydrophobicContact CG-CD2 4.15Å; L261-F330 WeakPolarHBondContact CA-O 3.47Å; L261-F330 HydrophobicContact CD1-CB 3.71Å; L261-L332 HydrophobicContact CD1-CB 4.22Å; L261-V355 HydrophobicContact CD1-CG2 4.08Å; L261-I386 HydrophobicContact CD2-CG2 3.76Å; L261-V390 HydrophobicContact CB-CG2 4.49Å
262	V	96.8	Very high	79.7	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.9	177.4	-58.7	0	0	0	0	114.6	Y259 V290 M324 S328 F330 L332	Y259-V262 HydrophobicContact CD2-CG1 4.1Å; Y259-V262 HydrophobicContact CG-CG1 3.85Å; V262-V290 CarbonylContact C-O 3.58Å; V262-V290 VanDerWaalsContact CA-O 3.24Å; V262-V290 WeakPolarHBondContact CA-O 3.43Å; V262-V290 HydrophobicContact CG1-CB 4.16Å; V262-M324 HydrophobicContact CB-CE 3.87Å; V262-M324 HydrophobicContact CB-CG 3.99Å; V262-M324 HydrophobicContact CB-SD 3.96Å; V262-M324 HydrophobicContact CG1-CG 3.83Å; V262-M324 HydrophobicContact CG1-SD 4.17Å; V262-M324 HydrophobicContact CG2-CE 3.99Å; V262-M324 HydrophobicContact CG2-CG 4.25Å; V262-S328 WeakPolarHBondContact CG1-OG 3.4Å; V262-S328 WeakPolarHBondContact CG2-OG 3.46Å; V262-F330 PolarHBondContact N-O 2.9Å; V262-L332 PolarHBondContact O-N 2.86Å
263	F	95.8	Very high	80.3	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	139.1	165.8	177.8	-105.5	0	0	0	108.8	L280 V290 L291 L292 T293 L332 P334 R343	F263-L280 HydrophobicContact CD1-CD1 3.36Å; F263-L280 HydrophobicContact CE1-CD1 3.54Å; F263-L280 HydrophobicContact CG-CD1 4.08Å; F263-L280 HydrophobicContact CZ-CD1 4.39Å; F263-V290 PolarHBondContact N-O 2.93Å; F263-L291 HydrophobicContact CB-CB 4.37Å; F263-L291 HydrophobicContact CB-CD2 3.69Å; F263-L291 CarbonylContact O-C 3.31Å; F263-L291 WeakPolarHBondContact O-CA 3.3Å; F263-L292 PolarHBondContact O-N 3.23Å; F263-T293 HydrophobicContact CD1-CG2 4.48Å; F263-T293 HydrophobicContact CE1-CG2 4.06Å; F263-L332 HydrophobicContact CB-CB 4.11Å; F263-L332 HydrophobicContact CB-CD2 4.5Å; F263-L332 WeakPolarHBondContact CD2-O 3.3Å; F263-P334 HydrophobicContact CD2-CG 3.78Å; F263-P334 HydrophobicContact CE1-CG 4.43Å; F263-P334 VanDerWaalsContact CE2-CD 3.4Å; F263-P334 HydrophobicContact CE2-CG 3.34Å; F263-P334 HydrophobicContact CG-CG 4.49Å; F263-P334 HydrophobicContact CZ-CG 3.7Å; F263-R343 HydrophobicContact CE2-CG 4.17Å
264	K	93.9	Very high	80.7	Confident	21 Å²	21	43.3 Å²	43.3	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	117.6	166.2	-178.7	176	179.2	-172.6	0	107.7	L292 Y316 Y319 Y321 M324 R343	K264-L292 VanDerWaalsContact CA-O 3.31Å; K264-L292 WeakPolarHBondContact CA-O 3.42Å; K264-L292 HydrophobicContact CB-CB 4.46Å; K264-L292 HydrophobicContact CG-CB 4.38Å; K264-Y316 HydrophobicContact CB-CE2 4.42Å; K264-Y316 HydrophobicContact CD-CD2 4.46Å; K264-Y316 HydrophobicContact CD-CE1 4.47Å; K264-Y316 HydrophobicContact CD-CE2 4.08Å; K264-Y316 WeakPolarHBondContact CE-O 3.34Å; K264-Y316 HydrophobicContact CG-CD2 3.8Å; K264-Y316 HydrophobicContact CG-CE1 4.43Å; K264-Y316 HydrophobicContact CG-CE2 3.23Å; K264-Y316 PolarHBondContact NZ-O 3.29Å; K264-Y319 PolarHBondContact NZ-O 3.41Å; K264-Y321 HydrophobicContact CB-CD2 3.98Å; K264-Y321 HydrophobicContact CB-CE2 4.4Å; K264-Y321 HydrophobicContact CD-CD2 4.07Å; K264-Y321 HydrophobicContact CG-CD2 4.25Å; K264-M324 HydrophobicContact CB-CE 3.35Å; K264-M324 HydrophobicContact CB-SD 4.34Å; K264-R343 PolarHBondContact O-NH1 3.3Å
265	G	91.8	Very high	81.7	Confident	6 Å²	6	47.4 Å²	47.4	6%	0.062	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	-174.9	-176.6	0	0	0	0	0	114.7	L292 T293 T294 Y316	G265-L292 PolarHBondContact N-O 3.45Å; G265-L292 VanDerWaalsContact N-O 3.09Å; G265-T293 CarbonylContact O-C 3.53Å; G265-T293 VanDerWaalsContact O-CA 3.22Å; G265-T293 WeakPolarHBondContact O-CA 3.37Å; G265-T294 PolarHBondContact O-N 2.67Å; G265-Y316 WeakPolarHBondContact O-CE2 3.27Å
266	K	88.6	Confident	82.7	Confident	92 Å²	92	47 Å²	47	40%	0.4	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.5	-178.5	-56.8	-171.5	-176.4	177.1	0	111.2	Y268 R277 T294 H297	K266-Y268 HydrophobicContact CB-CE1 4.49Å; K266-R277 WeakPolarHBondContact O-CD 3.31Å; K266-R277 PolarHBondContact O-NH1 3.44Å; K266-T294 CarbonylContact C-O 3.58Å; K266-T294 WeakPolarHBondContact CA-O 3.28Å; K266-T294 HydrophobicContact CB-CG2 4.5Å; K266-T294 HydrophobicContact CG-CG2 4.01Å; K266-H297 HydrophobicContact CD-CB 4.48Å; K266-H297 WeakPolarHBondContact CD-CD2 3.47Å
267	R	87.1	Confident	83.7	Confident	3 Å²	3	36.6 Å²	36.6	1%	0.011	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-96.8	121.4	167.8	175.8	169.8	75.2	99.4	1.6	108.5	N278 T293 T294 C295 D306 C309 D312	R267-N278 PolarHBondContact NH1-OD1 3.43Å; R267-T293 HydrophobicContact CB-CG2 4.11Å; R267-T294 PolarHBondContact N-O 3.44Å; R267-C295 PolarHBondContact NH2-SG 3.11Å; R267-D306 IonicContact CZ-OD1 2.77Å; R267-D306 IonicContact CZ-OD2 3.39Å; R267-D306 IonicContact NH1-OD2 3.2Å; R267-D306 PolarHBondContact NH1-OD2 3.49Å; R267-D306 VanDerWaalsContact NH2-CG 3.26Å; R267-D306 IonicContact NH2-OD1 3.1Å; R267-D306 PolarHBondContact NH2-OD1 2.98Å; R267-D306 IonicContact NH2-OD2 3.45Å; R267-D306 PolarHBondContact NH2-OD2 3.4Å; R267-C309 PolarHBondContact NH2-SG 2.92Å; R267-D312 IonicContact CZ-OD2 3.13Å; R267-D312 IonicContact NE-OD2 3.03Å; R267-D312 PolarHBondContact NE-OD2 2.71Å; R267-D312 VanDerWaalsContact NE-OD2 3.12Å; R267-D312 IonicContact NH2-OD2 3.59Å; R267-D312 PolarHBondContact NH2-OD2 3.35Å
268	Y	78.4	Confident	83.9	Confident	30 Å²	30	38.1 Å²	38.1	12%	0.118	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-81.6	122	178.2	-52.9	-69.1	0	0	0	108	K266 T270 S274 R277 H297 R337	K266-Y268 HydrophobicContact CB-CE1 4.49Å; Y268-T270 VanDerWaalsContact C-N 3.27Å; Y268-S274 WeakPolarHBondContact O-CB 3.44Å; Y268-S274 PolarHBondContact O-OG 3.42Å; Y268-R277 PolarHBondContact OH-NH1 2.94Å; Y268-H297 AromaticContact CD1-CD2 3.87Å; Y268-H297 AromaticContact CE1-CD2 3.54Å; Y268-H297 AromaticContact CE1-NE2 3.71Å; Y268-R337 HydrophobicContact CD1-CG 4.06Å; Y268-R337 HydrophobicContact CD2-CG 4.29Å; Y268-R337 HydrophobicContact CE1-CG 3.67Å; Y268-R337 VanDerWaalsContact CE1-NE 3.26Å; Y268-R337 HydrophobicContact CE2-CG 3.94Å; Y268-R337 HydrophobicContact CG-CG 4.35Å
269	L	76.2	Confident	83.9	Confident	41 Å²	41	33.6 Å²	33.6	22%	0.215	19%	0.192	C	C	.	.	S	Bend	trans	-77.9	-17.6	-177	-67.4	163.6	0	0	0	112.7	C295 H304	L269-C295 HydrophobicContact CD1-CB 3.98Å; L269-H304 HydrophobicContact CB-CB 4.09Å; L269-H304 HydrophobicContact CD1-CB 4.24Å; L269-H304 WeakPolarHBondContact CD1-O 3.48Å
270	T	70.6	Confident	83.8	Confident	68 Å²	68	33 Å²	33	42%	0.417	19%	0.19	S	C	.	.	S	Bend	trans	-142.1	152.3	176.8	56.7	0	0	0	0	109.5	Y268	Y268-T270 VanDerWaalsContact C-N 3.27Å
271	G	66.5	Low	83.6	Confident	41 Å²	41	36.2 Å²	36.2	42%	0.423	20%	0.199	S	C	.	.	S	Bend	trans	86.7	-178.7	176.4	0	0	0	0	0	115.6	S274	G271-S274 WeakPolarHBondContact O-CB 3.24Å
272	I	64.3	Low	83.4	Confident	81 Å²	81	41.9 Å²	41.9	42%	0.415	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	142.7	-171.8	-60.9	169.5	0	0	0	111.9	D199 S274	D199-I272 WeakPolarHBondContact O-CD1 3.21Å; I272-S274 VanDerWaalsContact C-N 3.31Å
273	G	65.1	Low	83.3	Confident	10 Å²	10	42.6 Å²	42.6	10%	0.103	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	4.2	179.6	0	0	0	0	0	114.4
274	S	69.2	Low	83.2	Confident	16 Å²	16	44.3 Å²	44.3	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-46.2	175	-177.1	0	0	0	0	112.2	Y268 G271 I272 T276 R277 N278	Y268-S274 WeakPolarHBondContact O-CB 3.44Å; Y268-S274 PolarHBondContact O-OG 3.42Å; G271-S274 WeakPolarHBondContact O-CB 3.24Å; I272-S274 VanDerWaalsContact C-N 3.31Å; S274-T276 PolarHBondContact O-N 3.38Å; S274-R277 CarbonylContact O-C 3.49Å; S274-R277 PolarHBondContact O-N 2.89Å; S274-R277 VanDerWaalsContact O-N 3.15Å; S274-N278 WeakPolarHBondContact O-CB 3.38Å; S274-N278 PolarHBondContact O-N 2.89Å
275	D	80.5	Confident	83.2	Confident	127 Å²	127	46 Å²	46	68%	0.679	25%	0.247	S	C	*	.	H	α-helix	trans	-59.9	-50.3	-167.2	-58.2	-39.7	0	0	0	113	R277 N278 A279	D275-R277 VanDerWaalsContact C-N 3.32Å; D275-R277 PolarHBondContact O-N 3.04Å; D275-N278 WeakPolarHBondContact O-CB 3.47Å; D275-N278 PolarHBondContact O-N 2.95Å; D275-N278 VanDerWaalsContact O-N 3.13Å; D275-A279 WeakPolarHBondContact O-CB 3.29Å; D275-A279 PolarHBondContact O-N 3.33Å
276	T	83.8	Confident	83.2	Confident	18 Å²	18	48.9 Å²	48.9	11%	0.11	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-42.1	178.7	-53.9	0	0	0	0	111.4	S274 A279 L280 P334 L357 E380	S274-T276 PolarHBondContact O-N 3.38Å; T276-A279 PolarHBondContact O-N 3.2Å; T276-L280 WeakPolarHBondContact O-CG 3.21Å; T276-P334 HydrophobicContact CG2-CB 4.3Å; T276-L357 HydrophobicContact CG2-CD2 3.57Å; T276-L357 HydrophobicContact CG2-CG 4.3Å; T276-E380 PolarHBondContact OG1-OE2 3.33Å; T276-E380 VanDerWaalsContact OG1-OE2 3.13Å
277	R	88.9	Confident	83.4	Confident	11 Å²	11	51.6 Å²	51.6	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-72.8	-32.3	177.4	-66	-167.4	-179.5	-168.8	-5.3	112.3	K266 Y268 S274 D275 A279 L280 R335 G336	K266-R277 WeakPolarHBondContact O-CD 3.31Å; K266-R277 PolarHBondContact O-NH1 3.44Å; Y268-R277 PolarHBondContact OH-NH1 2.94Å; S274-R277 CarbonylContact O-C 3.49Å; S274-R277 PolarHBondContact O-N 2.89Å; S274-R277 VanDerWaalsContact O-N 3.15Å; D275-R277 VanDerWaalsContact C-N 3.32Å; D275-R277 PolarHBondContact O-N 3.04Å; R277-A279 VanDerWaalsContact C-N 3.28Å; R277-A279 PolarHBondContact O-N 2.81Å; R277-L280 WeakPolarHBondContact O-CG 3.47Å; R277-L280 PolarHBondContact O-N 3.31Å; R277-R335 PolarHBondContact NE-O 3.41Å; R277-R335 PolarHBondContact NH2-O 2.88Å; R277-G336 VanDerWaalsContact NH2-CA 3.31Å
278	N	88.3	Confident	83.7	Confident	55 Å²	55	53 Å²	53	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-68.7	-29.4	177.6	-170.1	49.9	0	0	0	112.2	R267 S274 D275 Y281 R308	R267-N278 PolarHBondContact NH1-OD1 3.43Å; S274-N278 WeakPolarHBondContact O-CB 3.38Å; S274-N278 PolarHBondContact O-N 2.89Å; D275-N278 WeakPolarHBondContact O-CB 3.47Å; D275-N278 PolarHBondContact O-N 2.95Å; D275-N278 VanDerWaalsContact O-N 3.13Å; N278-Y281 WeakPolarHBondContact O-CD1 3.39Å; N278-Y281 VanDerWaalsContact O-CE1 3.27Å; N278-Y281 WeakPolarHBondContact O-CE1 3.38Å; N278-R308 PolarHBondContact O-NH1 3.48Å; N278-R308 PolarHBondContact O-NH2 3.32Å; N278-R308 PolarHBondContact OD1-NH2 2.82Å
279	A	90.1	Very high	84.6	Confident	29 Å²	29	51.7 Å²	51.7	24%	0.24	28%	0.283	C	S	.	.	H	α-helix	trans	-82.7	-12.7	178.5	0	0	0	0	0	114.3	D275 T276 R277 Y281 H282 L383	D275-A279 WeakPolarHBondContact O-CB 3.29Å; D275-A279 PolarHBondContact O-N 3.33Å; T276-A279 PolarHBondContact O-N 3.2Å; R277-A279 VanDerWaalsContact C-N 3.28Å; R277-A279 PolarHBondContact O-N 2.81Å; A279-Y281 PolarHBondContact O-N 3.2Å; A279-Y281 VanDerWaalsContact O-N 3.14Å; A279-H282 WeakPolarHBondContact O-CB 3.33Å; A279-H282 PolarHBondContact O-N 2.83Å; A279-L383 HydrophobicContact CB-CD2 3.52Å
280	L	92.3	Very high	85.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-59.5	-29.4	-176.3	-63	-179.2	0	0	0	114	F263 T276 R277 H282 V283 H284 L291 T293 L332 L383	F263-L280 HydrophobicContact CD1-CD1 3.36Å; F263-L280 HydrophobicContact CE1-CD1 3.54Å; F263-L280 HydrophobicContact CG-CD1 4.08Å; F263-L280 HydrophobicContact CZ-CD1 4.39Å; T276-L280 WeakPolarHBondContact O-CG 3.21Å; R277-L280 WeakPolarHBondContact O-CG 3.47Å; R277-L280 PolarHBondContact O-N 3.31Å; L280-H282 PolarHBondContact O-N 2.95Å; L280-V283 PolarHBondContact O-N 3.41Å; L280-H284 PolarHBondContact O-N 3.25Å; L280-H284 VanDerWaalsContact O-N 3.11Å; L280-L291 HydrophobicContact CB-CB 4.16Å; L280-L291 HydrophobicContact CB-CD1 4.36Å; L280-L291 HydrophobicContact CD2-CD1 4.29Å; L280-T293 HydrophobicContact CD1-CG2 4.19Å; L280-L332 HydrophobicContact CD2-CD2 3.48Å; L280-L332 VanDerWaalsContact CD2-CD2 3.48Å; L280-L383 HydrophobicContact CD2-CD1 3.71Å; L280-L383 HydrophobicContact CD2-CD2 4.17Å
281	Y	90.9	Very high	86.8	Confident	104 Å²	104	46.8 Å²	46.8	41%	0.408	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-62.8	-25	177.4	83.2	-67.4	0	0	0	113.5	N278 A279 V283 R308	N278-Y281 WeakPolarHBondContact O-CD1 3.39Å; N278-Y281 VanDerWaalsContact O-CE1 3.27Å; N278-Y281 WeakPolarHBondContact O-CE1 3.38Å; A279-Y281 PolarHBondContact O-N 3.2Å; A279-Y281 VanDerWaalsContact O-N 3.14Å; Y281-V283 PolarHBondContact O-N 3.05Å; Y281-R308 VanDerWaalsContact CG-NH1 3.34Å
282	H	92.6	Very high	88.1	Confident	120 Å²	120	45.1 Å²	45.1	56%	0.556	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-70.2	-21.8	175	-69.9	-64	0	0	0	112.6	A279 L280 L384	A279-H282 WeakPolarHBondContact O-CB 3.33Å; A279-H282 PolarHBondContact O-N 2.83Å; L280-H282 PolarHBondContact O-N 2.95Å; H282-L384 HydrophobicContact CB-CD2 4.01Å
283	V	94.1	Very high	89.5	Confident	16 Å²	16	41.6 Å²	41.6	10%	0.097	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-22.5	-176.8	-178.5	0	0	0	0	111.4	L280 Y281 N285 V289 L291 L383 L384 P387	L280-V283 PolarHBondContact O-N 3.41Å; Y281-V283 PolarHBondContact O-N 3.05Å; V283-N285 PolarHBondContact O-N 2.03Å; V283-V289 HydrophobicContact CG1-CG1 4.1Å; V283-V289 WeakPolarHBondContact O-CG1 3.41Å; V283-L291 HydrophobicContact CB-CD1 3.67Å; V283-L291 HydrophobicContact CG1-CD1 3.6Å; V283-L383 HydrophobicContact CG2-CD1 4.36Å; V283-L383 HydrophobicContact CG2-CG 4.07Å; V283-L384 HydrophobicContact CG2-CD2 3.72Å; V283-P387 HydrophobicContact CG1-CG 3.35Å
284	H	94.4	Very high	90.7	Very high	41 Å²	41	41.5 Å²	41.5	19%	0.19	22%	0.216	C	C	.	.			trans	-63	129.1	176.8	179.4	95.8	0	0	0	112	L280 S286 L291	L280-H284 PolarHBondContact O-N 3.25Å; L280-H284 VanDerWaalsContact O-N 3.11Å; H284-S286 PolarHBondContact CD2-N 2.86Å; H284-S286 PolarHBondContact CD2-OG 3.44Å; H284-S286 PolarHBondContact NE2-N 3.32Å; H284-S286 PolarHBondContact NE2-OG 3.46Å; H284-L291 HydrophobicContact CB-CB 4.35Å; H284-L291 PolarHBondContact ND1-N 3.25Å; H284-L291 VanDerWaalsContact ND1-N 3.14Å; H284-L291 PolarHBondContact ND1-O 3.41Å
285	N	94.4	Very high	91.6	Very high	56 Å²	56	40.8 Å²	40.8	30%	0.299	21%	0.211	S	C	.	.			trans	-122.5	2.4	178.4	74.4	1.4	0	0	0	114.9	V283 Q287 D288 V289	V283-N285 PolarHBondContact O-N 2.03Å; N285-Q287 PolarHBondContact O-N 3.26Å; N285-Q287 PolarHBondContact OD1-N 3.27Å; N285-D288 PolarHBondContact ND2-OD1 2.85Å; N285-D288 PolarHBondContact OD1-N 2.88Å; N285-V289 PolarHBondContact N-O 3.49Å; N285-V289 WeakPolarHBondContact OD1-CA 3.41Å; N285-V289 PolarHBondContact OD1-N 3.18Å; N285-V289 PolarHBondContact OD1-O 2.88Å; N285-V289 VanDerWaalsContact OD1-O 3.08Å
286	S	92.1	Very high	91.9	Very high	67 Å²	67	39 Å²	39	47%	0.469	20%	0.197	S	C	.	.	S	Bend	trans	56.9	10.9	-177.8	-44.1	0	0	0	0	115.9	H284	H284-S286 PolarHBondContact CD2-N 2.86Å; H284-S286 PolarHBondContact CD2-OG 3.44Å; H284-S286 PolarHBondContact NE2-N 3.32Å; H284-S286 PolarHBondContact NE2-OG 3.46Å
287	Q	92.4	Very high	91.7	Very high	149 Å²	149	40.1 Å²	40.1	70%	0.696	20%	0.201	S	C	*	.	S	Bend	trans	-110.6	-87.9	-179.6	-67.2	178.6	-1.8	0	0	109.8	N285	N285-Q287 PolarHBondContact O-N 3.26Å; N285-Q287 PolarHBondContact OD1-N 3.27Å
288	D	93.3	Very high	91	Very high	33 Å²	33	42.3 Å²	42.3	18%	0.176	23%	0.227	C	C	.	.	S	Bend	trans	-107.8	-14.6	-178.8	67.7	-33	0	0	0	112.8	V260 L261 N285 R391	V260-D288 HydrophobicContact CB-CB 4.33Å; V260-D288 HydrophobicContact CG2-CB 4.04Å; V260-D288 WeakPolarHBondContact CG2-OD2 3.33Å; V260-D288 PolarHBondContact N-O 3.39Å; L261-D288 PolarHBondContact N-O 3Å; N285-D288 PolarHBondContact ND2-OD1 2.85Å; N285-D288 PolarHBondContact OD1-N 2.88Å; D288-R391 VanDerWaalsContact CG-NH2 3.28Å; D288-R391 IonicContact OD1-NH2 3.79Å; D288-R391 PolarHBondContact OD1-NH2 3.26Å; D288-R391 IonicContact OD2-CZ 3.67Å; D288-R391 IonicContact OD2-NE 3.32Å; D288-R391 PolarHBondContact OD2-NE 3.23Å; D288-R391 IonicContact OD2-NH2 2.68Å; D288-R391 PolarHBondContact OD2-NH2 3.06Å
289	V	96.8	Very high	90.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	95.8	175.5	-178.3	0	0	0	0	109.2	L261 V283 N285 L291	L261-V289 HydrophobicContact CB-CG1 4.32Å; L261-V289 HydrophobicContact CB-CG2 4.36Å; L261-V289 HydrophobicContact CD2-CG1 4.17Å; L261-V289 CarbonylContact O-C 3.58Å; L261-V289 WeakPolarHBondContact O-CA 3.2Å; V283-V289 HydrophobicContact CG1-CG1 4.1Å; V283-V289 WeakPolarHBondContact O-CG1 3.41Å; N285-V289 PolarHBondContact N-O 3.49Å; N285-V289 WeakPolarHBondContact OD1-CA 3.41Å; N285-V289 PolarHBondContact OD1-N 3.18Å; N285-V289 PolarHBondContact OD1-O 2.88Å; N285-V289 VanDerWaalsContact OD1-O 3.08Å; V289-L291 HydrophobicContact CG1-CD1 4.18Å; V289-L291 HydrophobicContact CG1-CD2 4.42Å; V289-L291 HydrophobicContact CG1-CG 4.01Å
290	V	96.4	Very high	89.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	92.8	-173.6	-178.9	0	0	0	0	109.8	Y259 L261 V262 F263 L292 Y319 M324	Y259-V290 HydrophobicContact CD1-CB 4.48Å; Y259-V290 HydrophobicContact CD1-CG2 3.67Å; Y259-V290 HydrophobicContact CE1-CG2 3.69Å; L261-V290 PolarHBondContact O-N 3.09Å; V262-V290 CarbonylContact C-O 3.58Å; V262-V290 VanDerWaalsContact CA-O 3.24Å; V262-V290 WeakPolarHBondContact CA-O 3.43Å; V262-V290 HydrophobicContact CG1-CB 4.16Å; F263-V290 PolarHBondContact N-O 2.93Å; V290-L292 HydrophobicContact CG1-CD1 3.66Å; V290-L292 HydrophobicContact CG1-CD2 4.23Å; V290-L292 HydrophobicContact CG1-CG 3.73Å; V290-Y319 HydrophobicContact CG1-CD1 4.26Å; V290-Y319 HydrophobicContact CG1-CE1 4Å; V290-Y319 HydrophobicContact CG1-CE2 4.45Å; V290-M324 HydrophobicContact CG1-SD 4.04Å
291	L	95.9	Very high	89.2	Confident	7 Å²	7	54 Å²	54	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108.3	177.6	-48.1	178.8	0	0	0	109.6	L261 F263 L280 V283 H284 V289 L332	L261-L291 HydrophobicContact CD2-CD2 4.32Å; L261-L291 HydrophobicContact CG-CD2 4.15Å; F263-L291 HydrophobicContact CB-CB 4.37Å; F263-L291 HydrophobicContact CB-CD2 3.69Å; F263-L291 CarbonylContact O-C 3.31Å; F263-L291 WeakPolarHBondContact O-CA 3.3Å; L280-L291 HydrophobicContact CB-CB 4.16Å; L280-L291 HydrophobicContact CB-CD1 4.36Å; L280-L291 HydrophobicContact CD2-CD1 4.29Å; V283-L291 HydrophobicContact CB-CD1 3.67Å; V283-L291 HydrophobicContact CG1-CD1 3.6Å; H284-L291 HydrophobicContact CB-CB 4.35Å; H284-L291 PolarHBondContact ND1-N 3.25Å; H284-L291 VanDerWaalsContact ND1-N 3.14Å; H284-L291 PolarHBondContact ND1-O 3.41Å; V289-L291 HydrophobicContact CG1-CD1 4.18Å; V289-L291 HydrophobicContact CG1-CD2 4.42Å; V289-L291 HydrophobicContact CG1-CG 4.01Å; L291-L332 HydrophobicContact CD2-CD2 4.34Å
292	L	94.5	Very high	89	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.7	-170.7	-60.3	171.3	0	0	0	110.6	F263 K264 G265 V290 E315 Y316 Y319 M324	F263-L292 PolarHBondContact O-N 3.23Å; K264-L292 VanDerWaalsContact CA-O 3.31Å; K264-L292 WeakPolarHBondContact CA-O 3.42Å; K264-L292 HydrophobicContact CB-CB 4.46Å; K264-L292 HydrophobicContact CG-CB 4.38Å; G265-L292 PolarHBondContact N-O 3.45Å; G265-L292 VanDerWaalsContact N-O 3.09Å; V290-L292 HydrophobicContact CG1-CD1 3.66Å; V290-L292 HydrophobicContact CG1-CD2 4.23Å; V290-L292 HydrophobicContact CG1-CG 3.73Å; L292-E315 HydrophobicContact CD2-CB 4.08Å; L292-Y316 HydrophobicContact CB-CD2 4.17Å; L292-Y319 HydrophobicContact CD1-CD1 4.45Å; L292-Y319 HydrophobicContact CD1-CD2 3.33Å; L292-Y319 HydrophobicContact CD1-CE2 3.98Å; L292-Y319 HydrophobicContact CD1-CG 3.62Å; L292-Y319 HydrophobicContact CD2-CD2 4.43Å; L292-Y319 HydrophobicContact CD2-CE2 4.4Å; L292-Y319 HydrophobicContact CG-CD2 4.5Å; L292-M324 HydrophobicContact CD1-SD 4.33Å
293	T	93.1	Very high	88.6	Confident	8 Å²	8	57.4 Å²	57.4	5%	0.049	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.2	177.6	53.2	0	0	0	0	111.9	F263 G265 R267 L280 D312 Y316	F263-T293 HydrophobicContact CD1-CG2 4.48Å; F263-T293 HydrophobicContact CE1-CG2 4.06Å; G265-T293 CarbonylContact O-C 3.53Å; G265-T293 VanDerWaalsContact O-CA 3.22Å; G265-T293 WeakPolarHBondContact O-CA 3.37Å; R267-T293 HydrophobicContact CB-CG2 4.11Å; L280-T293 HydrophobicContact CD1-CG2 4.19Å; T293-D312 CarbonylContact O-C 3.59Å; T293-D312 WeakPolarHBondContact O-CB 3.37Å; T293-Y316 VanDerWaalsContact C-CD2 3.49Å
294	T	91.3	Very high	88	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.043	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.2	168	178.6	0	0	0	0	111.2	G265 K266 R267 K296 N313 Y316	G265-T294 PolarHBondContact O-N 2.67Å; K266-T294 CarbonylContact C-O 3.58Å; K266-T294 WeakPolarHBondContact CA-O 3.28Å; K266-T294 HydrophobicContact CB-CG2 4.5Å; K266-T294 HydrophobicContact CG-CG2 4.01Å; R267-T294 PolarHBondContact N-O 3.44Å; T294-K296 WeakPolarHBondContact OG1-CB 3.46Å; T294-K296 PolarHBondContact OG1-N 2.92Å; T294-K296 VanDerWaalsContact OG1-N 3.11Å; T294-N313 PolarHBondContact OG1-OD1 2.94Å; T294-Y316 HydrophobicContact CG2-CD1 4.31Å; T294-Y316 HydrophobicContact CG2-CD2 4.07Å; T294-Y316 HydrophobicContact CG2-CE1 3.95Å; T294-Y316 HydrophobicContact CG2-CE2 3.66Å; T294-Y316 HydrophobicContact CG2-CG 4.37Å
295	C	88.2	Confident	87.6	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.007	32%	0.316	C	S	.	.			trans	-84.5	-9.4	171.9	-63.8	0	0	0	0	113.4	R267 L269 H297 W301 C309 N313	R267-C295 PolarHBondContact NH2-SG 3.11Å; L269-C295 HydrophobicContact CD1-CB 3.98Å; C295-H297 PolarHBondContact O-N 3.41Å; C295-W301 HydrophobicContact CB-CE3 4.25Å; C295-W301 WeakPolarHBondContact O-CB 2.97Å; C295-C309 HydrophobicContact CB-CB 3.73Å; C295-C309 WeakPolarHBondContact CB-SG 3.41Å; C295-C309 WeakPolarHBondContact SG-CA 3.33Å; C295-C309 WeakPolarHBondContact SG-CB 3.42Å; C295-C309 CovalentContact SG-SG 2.05Å; C295-C309 PolarHBondContact SG-SG 2.99Å; C295-N313 PolarHBondContact N-OD1 3.36Å
296	K	87.1	Confident	87.3	Confident	89 Å²	89	63.6 Å²	63.6	39%	0.387	32%	0.316	S	S	.	.			trans	-68.4	89.4	-175.8	-65.3	172.5	-176.6	166.6	0	109.7	T294 W301 D317	T294-K296 WeakPolarHBondContact OG1-CB 3.46Å; T294-K296 PolarHBondContact OG1-N 2.92Å; T294-K296 VanDerWaalsContact OG1-N 3.11Å; K296-W301 HydrophobicContact CG-CH2 4.13Å; K296-W301 HydrophobicContact CG-CZ2 3.92Å; K296-D317 IonicContact NZ-OD1 2.91Å; K296-D317 IonicContact NZ-OD2 2.85Å; K296-D317 PolarHBondContact NZ-OD2 3.03Å
297	H	79.2	Confident	87.2	Confident	43 Å²	43	65.6 Å²	65.6	20%	0.199	34%	0.336	C	S	.	.			trans	-139.9	109.9	-174.9	-171.6	-61.5	0	0	0	113.8	K266 Y268 C295 W301 R337	K266-H297 HydrophobicContact CD-CB 4.48Å; K266-H297 WeakPolarHBondContact CD-CD2 3.47Å; Y268-H297 AromaticContact CD1-CD2 3.87Å; Y268-H297 AromaticContact CE1-CD2 3.54Å; Y268-H297 AromaticContact CE1-NE2 3.71Å; C295-H297 PolarHBondContact O-N 3.41Å; H297-W301 WeakPolarHBondContact O-CB 2.97Å; H297-R337 PolarHBondContact CE1-NH1 3.02Å; H297-R337 VanDerWaalsContact CE1-NH1 3.32Å; H297-R337 PolarHBondContact CE1-NH2 3.16Å; H297-R337 PolarHBondContact ND1-NH2 3.14Å
298	G	72.9	Confident	87.1	Confident	56 Å²	56	60.6 Å²	60.6	58%	0.577	31%	0.311	S	S	*	.	S	Bend	trans	78	-170.8	-179.9	0	0	0	0	0	111.6	W301	G298-W301 VanDerWaalsContact O-CD1 3.3Å
299	K	74.3	Confident	87	Confident	199 Å²	199	59 Å²	59	87%	0.865	30%	0.303	S	S	*	.	S	Bend	trans	-82.2	-28.8	-179.6	-65.5	-177	-179.8	179.4	0	112.5
300	D	78.3	Confident	86.8	Confident	79 Å²	79	63.4 Å²	63.4	42%	0.422	33%	0.326	S	S	.	.	S	Bend	trans	-99.2	9.2	-171.4	-63.5	-62.8	0	0	0	115	Q302 K303	D300-Q302 PolarHBondContact O-N 3.32Å; D300-Q302 VanDerWaalsContact O-N 3.09Å; D300-K303 HydrophobicContact CB-CD 4.1Å; D300-K303 WeakPolarHBondContact O-CB 3.29Å; D300-K303 PolarHBondContact O-N 3.5Å; D300-K303 VanDerWaalsContact OD1-CE 3.24Å; D300-K303 WeakPolarHBondContact OD1-CE 3.3Å; D300-K303 IonicContact OD1-NZ 3.65Å; D300-K303 PolarHBondContact OD1-NZ 2.94Å
301	W	81.6	Confident	86.6	Confident	52 Å²	52	70.4 Å²	70.4	20%	0.197	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-58.2	-30	-176.9	70.1	-83.7	0	0	0	113.6	C295 K296 H297 G298 K303 H304 K305	C295-W301 HydrophobicContact CB-CE3 4.25Å; C295-W301 WeakPolarHBondContact O-CB 2.97Å; K296-W301 HydrophobicContact CG-CH2 4.13Å; K296-W301 HydrophobicContact CG-CZ2 3.92Å; H297-W301 WeakPolarHBondContact O-CB 2.97Å; G298-W301 VanDerWaalsContact O-CD1 3.3Å; W301-K303 PolarHBondContact O-N 3.16Å; W301-H304 PolarHBondContact O-N 3.31Å; W301-K305 PolarHBondContact O-N 3.49Å
302	Q	85.3	Confident	86.4	Confident	137 Å²	137	70.9 Å²	70.9	64%	0.64	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-63.8	-30.9	176.4	-68.4	-179.2	-23.2	0	0	112.2	D300 H304 K305	D300-Q302 PolarHBondContact O-N 3.32Å; D300-Q302 VanDerWaalsContact O-N 3.09Å; Q302-H304 VanDerWaalsContact C-N 3.3Å; Q302-H304 PolarHBondContact O-N 2.96Å; Q302-K305 WeakPolarHBondContact O-CB 3.16Å; Q302-K305 PolarHBondContact O-N 3.31Å
303	K	84.4	Confident	86.3	Confident	159 Å²	159	71.1 Å²	71.1	69%	0.691	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-70.3	-27.7	178.5	-62.2	179.8	179	162	0	112.6	D300 W301	D300-K303 HydrophobicContact CB-CD 4.1Å; D300-K303 WeakPolarHBondContact O-CB 3.29Å; D300-K303 PolarHBondContact O-N 3.5Å; D300-K303 VanDerWaalsContact OD1-CE 3.24Å; D300-K303 WeakPolarHBondContact OD1-CE 3.3Å; D300-K303 IonicContact OD1-NZ 3.65Å; D300-K303 PolarHBondContact OD1-NZ 2.94Å; W301-K303 PolarHBondContact O-N 3.16Å
304	H	81.3	Confident	86.3	Confident	100 Å²	100	73.4 Å²	73.4	46%	0.463	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-104.5	9	-178.7	-59	-68	0	0	0	112.8	L269 W301 Q302 D306	L269-H304 HydrophobicContact CB-CB 4.09Å; L269-H304 HydrophobicContact CD1-CB 4.24Å; L269-H304 WeakPolarHBondContact CD1-O 3.48Å; W301-H304 PolarHBondContact O-N 3.31Å; Q302-H304 VanDerWaalsContact C-N 3.3Å; Q302-H304 PolarHBondContact O-N 2.96Å; H304-D306 PolarHBondContact O-N 3.28Å
305	K	87.8	Confident	86.4	Confident	89 Å²	89	75.4 Å²	75.4	39%	0.387	39%	0.389	S	S	.	.			trans	-59.4	125.5	-175.1	-178.5	-173.2	169.5	-174.7	0	110.5	W301 Q302 C309 D310	W301-K305 PolarHBondContact O-N 3.49Å; Q302-K305 WeakPolarHBondContact O-CB 3.16Å; Q302-K305 PolarHBondContact O-N 3.31Å; K305-C309 HydrophobicContact CG-CB 3.75Å; K305-D310 WeakPolarHBondContact CE-OD1 3.44Å; K305-D310 WeakPolarHBondContact CE-OD2 3.5Å; K305-D310 IonicContact NZ-OD1 3.69Å; K305-D310 PolarHBondContact NZ-OD1 3.18Å; K305-D310 IonicContact NZ-OD2 2.67Å; K305-D310 PolarHBondContact NZ-OD2 3.04Å
306	D	88.2	Confident	86.6	Confident	55 Å²	55	77.3 Å²	77.3	29%	0.294	40%	0.396	S	S	.	.			trans	-93.5	175.9	171.1	70.9	21.1	0	0	0	112.3	R267 H304 R308 C309	R267-D306 IonicContact CZ-OD1 2.77Å; R267-D306 IonicContact CZ-OD2 3.39Å; R267-D306 IonicContact NH1-OD2 3.2Å; R267-D306 PolarHBondContact NH1-OD2 3.49Å; R267-D306 VanDerWaalsContact NH2-CG 3.26Å; R267-D306 IonicContact NH2-OD1 3.1Å; R267-D306 PolarHBondContact NH2-OD1 2.98Å; R267-D306 IonicContact NH2-OD2 3.45Å; R267-D306 PolarHBondContact NH2-OD2 3.4Å; H304-D306 PolarHBondContact O-N 3.28Å; D306-R308 PolarHBondContact O-N 3.11Å; D306-R308 WeakPolarHBondContact OD1-CA 3.49Å; D306-R308 PolarHBondContact OD1-N 3.32Å; D306-C309 PolarHBondContact O-N 3.48Å; D306-C309 PolarHBondContact OD1-N 3.25Å; D306-C309 PolarHBondContact OD1-SG 3.41Å
307	A	89.7	Confident	86.9	Confident	109 Å²	109	77.9 Å²	77.9	90%	0.901	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.7	-179	0	0	0	0	0	114.3
308	R	90.6	Very high	87.5	Confident	44 Å²	44	82.3 Å²	82.3	17%	0.166	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-21.4	-177.3	-161.6	178.4	64.2	-149.1	-3.4	112.8	N278 Y281 D306 D310 K311 D312	N278-R308 PolarHBondContact O-NH1 3.48Å; N278-R308 PolarHBondContact O-NH2 3.32Å; N278-R308 PolarHBondContact OD1-NH2 2.82Å; Y281-R308 VanDerWaalsContact CG-NH1 3.34Å; D306-R308 PolarHBondContact O-N 3.11Å; D306-R308 WeakPolarHBondContact OD1-CA 3.49Å; D306-R308 PolarHBondContact OD1-N 3.32Å; R308-D310 VanDerWaalsContact C-N 3.3Å; R308-D310 PolarHBondContact O-N 3.3Å; R308-D310 VanDerWaalsContact O-N 3.15Å; R308-K311 PolarHBondContact O-N 3.2Å; R308-K311 VanDerWaalsContact O-N 3.08Å; R308-D312 WeakPolarHBondContact CD-OD1 3.31Å; R308-D312 WeakPolarHBondContact CG-OD1 3.4Å; R308-D312 IonicContact CZ-OD2 3.96Å; R308-D312 IonicContact NE-OD1 3.23Å; R308-D312 PolarHBondContact NE-OD1 3.42Å; R308-D312 IonicContact NE-OD2 3.31Å; R308-D312 PolarHBondContact NE-OD2 3.32Å; R308-D312 IonicContact NH2-OD2 2.67Å; R308-D312 PolarHBondContact O-N 2.77Å
309	C	90.4	Very high	88.4	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-55.2	-36.4	-172	-79.2	0	0	0	0	115.7	R267 C295 K305 D306 N313	R267-C309 PolarHBondContact NH2-SG 2.92Å; C295-C309 HydrophobicContact CB-CB 3.73Å; C295-C309 WeakPolarHBondContact CB-SG 3.41Å; C295-C309 WeakPolarHBondContact SG-CA 3.33Å; C295-C309 WeakPolarHBondContact SG-CB 3.42Å; C295-C309 CovalentContact SG-SG 2.05Å; C295-C309 PolarHBondContact SG-SG 2.99Å; K305-C309 HydrophobicContact CG-CB 3.75Å; D306-C309 PolarHBondContact O-N 3.48Å; D306-C309 PolarHBondContact OD1-N 3.25Å; D306-C309 PolarHBondContact OD1-SG 3.41Å; C309-N313 WeakPolarHBondContact O-CB 3.38Å; C309-N313 PolarHBondContact O-N 3.38Å; C309-N313 PolarHBondContact O-ND2 3.33Å
310	D	92.1	Very high	89.3	Confident	92 Å²	92	76.7 Å²	76.7	49%	0.492	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-43.5	178.5	-68.9	-29.4	0	0	0	111.6	K305 R308 N313 A314	K305-D310 WeakPolarHBondContact CE-OD1 3.44Å; K305-D310 WeakPolarHBondContact CE-OD2 3.5Å; K305-D310 IonicContact NZ-OD1 3.69Å; K305-D310 PolarHBondContact NZ-OD1 3.18Å; K305-D310 IonicContact NZ-OD2 2.67Å; K305-D310 PolarHBondContact NZ-OD2 3.04Å; R308-D310 VanDerWaalsContact C-N 3.3Å; R308-D310 PolarHBondContact O-N 3.3Å; R308-D310 VanDerWaalsContact O-N 3.15Å; D310-N313 PolarHBondContact O-N 3.45Å; D310-A314 WeakPolarHBondContact O-CB 3.5Å; D310-A314 PolarHBondContact O-N 3.23Å
311	K	92.3	Very high	89.9	Confident	148 Å²	148	75 Å²	75	64%	0.643	37%	0.373	S	S	*	.	H	α-helix	trans	-65.7	-45.6	176	-173.4	177.8	179.6	179.3	0	111.3	R308 N313 A314 E315	R308-K311 PolarHBondContact O-N 3.2Å; R308-K311 VanDerWaalsContact O-N 3.08Å; K311-N313 VanDerWaalsContact C-N 3.32Å; K311-N313 PolarHBondContact O-N 3.03Å; K311-A314 PolarHBondContact O-N 3.12Å; K311-E315 PolarHBondContact O-N 3.25Å
312	D	92	Very high	90.2	Very high	17 Å²	17	78.6 Å²	78.6	9%	0.091	39%	0.387	C	S	.	.	H	α-helix	trans	-56.1	-47.6	176.8	-77.8	-9.7	0	0	0	110.7	R267 T293 R308 Y316	R267-D312 IonicContact CZ-OD2 3.13Å; R267-D312 IonicContact NE-OD2 3.03Å; R267-D312 PolarHBondContact NE-OD2 2.71Å; R267-D312 VanDerWaalsContact NE-OD2 3.12Å; R267-D312 IonicContact NH2-OD2 3.59Å; R267-D312 PolarHBondContact NH2-OD2 3.35Å; T293-D312 CarbonylContact O-C 3.59Å; T293-D312 WeakPolarHBondContact O-CB 3.37Å; R308-D312 WeakPolarHBondContact CD-OD1 3.31Å; R308-D312 WeakPolarHBondContact CG-OD1 3.4Å; R308-D312 IonicContact CZ-OD2 3.96Å; R308-D312 IonicContact NE-OD1 3.23Å; R308-D312 PolarHBondContact NE-OD1 3.42Å; R308-D312 IonicContact NE-OD2 3.31Å; R308-D312 PolarHBondContact NE-OD2 3.32Å; R308-D312 IonicContact NH2-OD2 2.67Å; R308-D312 PolarHBondContact O-N 2.77Å; D312-Y316 WeakPolarHBondContact O-CB 3.42Å; D312-Y316 PolarHBondContact O-N 2.88Å
313	N	93.3	Very high	90.3	Very high	10 Å²	10	77.9 Å²	77.9	5%	0.053	38%	0.383	C	S	.	.	H	α-helix	trans	-66.8	-42.7	179	-71.3	-32.7	0	0	0	112.5	T294 C295 C309 D310 K311 E315 Y316 D317	T294-N313 PolarHBondContact OG1-OD1 2.94Å; C295-N313 PolarHBondContact N-OD1 3.36Å; C309-N313 WeakPolarHBondContact O-CB 3.38Å; C309-N313 PolarHBondContact O-N 3.38Å; C309-N313 PolarHBondContact O-ND2 3.33Å; D310-N313 PolarHBondContact O-N 3.45Å; K311-N313 VanDerWaalsContact C-N 3.32Å; K311-N313 PolarHBondContact O-N 3.03Å; N313-E315 VanDerWaalsContact C-N 3.34Å; N313-E315 PolarHBondContact O-N 3.15Å; N313-Y316 PolarHBondContact O-N 3.02Å; N313-D317 VanDerWaalsContact O-CG 3.3Å; N313-D317 PolarHBondContact O-N 3.42Å
314	A	93.1	Very high	90.6	Very high	56 Å²	56	70.5 Å²	70.5	46%	0.463	35%	0.351	S	S	.	.	H	α-helix	trans	-61.9	-41.4	178.1	0	0	0	0	0	111.9	D310 K311 K318	D310-A314 WeakPolarHBondContact O-CB 3.5Å; D310-A314 PolarHBondContact O-N 3.23Å; K311-A314 PolarHBondContact O-N 3.12Å; A314-K318 WeakPolarHBondContact O-CG 3.3Å
315	E	91.6	Very high	91	Very high	48 Å²	48	66.5 Å²	66.5	22%	0.224	33%	0.333	C	S	.	.	H	α-helix	trans	-69	-40.4	173.9	-69.7	-58.6	147.7	0	0	112.2	L292 K311 N313 D317 K318 Y319	L292-E315 HydrophobicContact CD2-CB 4.08Å; K311-E315 PolarHBondContact O-N 3.25Å; N313-E315 VanDerWaalsContact C-N 3.34Å; N313-E315 PolarHBondContact O-N 3.15Å; E315-D317 VanDerWaalsContact C-N 3.29Å; E315-D317 PolarHBondContact O-N 3.07Å; E315-K318 WeakPolarHBondContact O-CB 3.39Å; E315-K318 PolarHBondContact O-N 3.34Å; E315-K318 IonicContact OE1-NZ 3.96Å; E315-K318 PolarHBondContact OE1-NZ 3.08Å; E315-K318 WeakPolarHBondContact OE2-CD 3.46Å; E315-K318 IonicContact OE2-NZ 2.65Å; E315-K318 PolarHBondContact OE2-NZ 3.24Å; E315-Y319 WeakPolarHBondContact O-CD2 3.03Å
316	Y	93.6	Very high	91	Very high	42 Å²	42	65.1 Å²	65.1	17%	0.165	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-37.9	179.6	-173.8	-86.6	0	0	0	113.1	K264 G265 L292 T293 T294 D312 N313 K318	K264-Y316 HydrophobicContact CB-CE2 4.42Å; K264-Y316 HydrophobicContact CD-CD2 4.46Å; K264-Y316 HydrophobicContact CD-CE1 4.47Å; K264-Y316 HydrophobicContact CD-CE2 4.08Å; K264-Y316 WeakPolarHBondContact CE-O 3.34Å; K264-Y316 HydrophobicContact CG-CD2 3.8Å; K264-Y316 HydrophobicContact CG-CE1 4.43Å; K264-Y316 HydrophobicContact CG-CE2 3.23Å; K264-Y316 PolarHBondContact NZ-O 3.29Å; G265-Y316 WeakPolarHBondContact O-CE2 3.27Å; L292-Y316 HydrophobicContact CB-CD2 4.17Å; T293-Y316 VanDerWaalsContact C-CD2 3.49Å; T294-Y316 HydrophobicContact CG2-CD1 4.31Å; T294-Y316 HydrophobicContact CG2-CD2 4.07Å; T294-Y316 HydrophobicContact CG2-CE1 3.95Å; T294-Y316 HydrophobicContact CG2-CE2 3.66Å; T294-Y316 HydrophobicContact CG2-CG 4.37Å; D312-Y316 WeakPolarHBondContact O-CB 3.42Å; D312-Y316 PolarHBondContact O-N 2.88Å; N313-Y316 PolarHBondContact O-N 3.02Å; Y316-K318 VanDerWaalsContact C-N 3.29Å; Y316-K318 PolarHBondContact O-N 3.47Å
317	D	93.1	Very high	91	Very high	101 Å²	101	64.9 Å²	64.9	54%	0.54	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.9	-176.6	-68.6	-21	0	0	0	112.6	K296 N313 E315	K296-D317 IonicContact NZ-OD1 2.91Å; K296-D317 IonicContact NZ-OD2 2.85Å; K296-D317 PolarHBondContact NZ-OD2 3.03Å; N313-D317 VanDerWaalsContact O-CG 3.3Å; N313-D317 PolarHBondContact O-N 3.42Å; E315-D317 VanDerWaalsContact C-N 3.29Å; E315-D317 PolarHBondContact O-N 3.07Å
318	K	92.5	Very high	91.2	Very high	135 Å²	135	59.7 Å²	59.7	59%	0.587	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.9	178.2	-70.3	176.2	-170.5	172.9	0	115.2	A314 E315 Y316	A314-K318 WeakPolarHBondContact O-CG 3.3Å; E315-K318 WeakPolarHBondContact O-CB 3.39Å; E315-K318 PolarHBondContact O-N 3.34Å; E315-K318 IonicContact OE1-NZ 3.96Å; E315-K318 PolarHBondContact OE1-NZ 3.08Å; E315-K318 WeakPolarHBondContact OE2-CD 3.46Å; E315-K318 IonicContact OE2-NZ 2.65Å; E315-K318 PolarHBondContact OE2-NZ 3.24Å; Y316-K318 VanDerWaalsContact C-N 3.29Å; Y316-K318 PolarHBondContact O-N 3.47Å
319	Y	90.9	Very high	91.3	Very high	47 Å²	47	58.5 Å²	58.5	18%	0.184	28%	0.279	C	S	.	.	S	Bend	trans	-115.7	133.5	-169.7	-67.9	-98.6	0	0	0	111.1	K264 V290 L292 E315	K264-Y319 PolarHBondContact NZ-O 3.41Å; V290-Y319 HydrophobicContact CG1-CD1 4.26Å; V290-Y319 HydrophobicContact CG1-CE1 4Å; V290-Y319 HydrophobicContact CG1-CE2 4.45Å; L292-Y319 HydrophobicContact CD1-CD1 4.45Å; L292-Y319 HydrophobicContact CD1-CD2 3.33Å; L292-Y319 HydrophobicContact CD1-CE2 3.98Å; L292-Y319 HydrophobicContact CD1-CG 3.62Å; L292-Y319 HydrophobicContact CD2-CD2 4.43Å; L292-Y319 HydrophobicContact CD2-CE2 4.4Å; L292-Y319 HydrophobicContact CG-CD2 4.5Å; E315-Y319 WeakPolarHBondContact O-CD2 3.03Å
320	D	93.3	Very high	91.6	Very high	90 Å²	90	58.6 Å²	58.6	48%	0.481	28%	0.28	S	S	.	.			trans	-71.9	137.7	167.5	180	-103.2	0	0	0	111	R322 E323 M324	D320-R322 PolarHBondContact OD1-N 3.06Å; D320-E323 HydrophobicContact CB-CB 3.99Å; D320-E323 PolarHBondContact OD1-N 2.9Å; D320-M324 WeakPolarHBondContact O-CB 3.45Å; D320-M324 PolarHBondContact O-N 2.91Å
321	Y	90.4	Very high	91.9	Very high	43 Å²	43	54.5 Å²	54.5	17%	0.169	26%	0.258	C	S	.	.	H	α-helix	trans	-70.4	-43.7	-175.4	175.2	-116.4	0	0	0	112.7	K264 L325 R343 E346	K264-Y321 HydrophobicContact CB-CD2 3.98Å; K264-Y321 HydrophobicContact CB-CE2 4.4Å; K264-Y321 HydrophobicContact CD-CD2 4.07Å; K264-Y321 HydrophobicContact CG-CD2 4.25Å; Y321-L325 HydrophobicContact CD1-CD1 4.21Å; Y321-L325 HydrophobicContact CD2-CD1 4.22Å; Y321-L325 HydrophobicContact CE1-CD1 3.56Å; Y321-L325 HydrophobicContact CE2-CD1 3.54Å; Y321-L325 HydrophobicContact CE2-CG 4.11Å; Y321-L325 PolarHBondContact O-N 3.02Å; Y321-L325 WeakPolarHBondContact OH-CD1 3.5Å; Y321-R343 PolarHBondContact OH-NE 3.38Å; Y321-R343 PolarHBondContact OH-NH1 3.1Å; Y321-R343 VanDerWaalsContact OH-NH1 3.16Å; Y321-R343 PolarHBondContact OH-NH2 3.44Å; Y321-E346 PolarHBondContact OH-OE1 3.04Å; Y321-E346 PolarHBondContact OH-OE2 3.48Å
322	R	88.4	Confident	92.1	Very high	129 Å²	129	47.6 Å²	47.6	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-73	-46.2	-175.9	-68.2	-177.2	73.1	166.9	4	110.3	Y247 D320 M324 L325 Y326	Y247-R322 PolarHBondContact OH-NH2 2.96Å; D320-R322 PolarHBondContact OD1-N 3.06Å; R322-M324 VanDerWaalsContact C-N 3.29Å; R322-M324 PolarHBondContact O-N 3.33Å; R322-L325 PolarHBondContact O-N 3.47Å; R322-Y326 HydrophobicContact CB-CD2 4.37Å; R322-Y326 HydrophobicContact CB-CE2 3.76Å; R322-Y326 PolarHBondContact NE-OH 3.49Å; R322-Y326 PolarHBondContact NH2-OH 3.13Å; R322-Y326 WeakPolarHBondContact O-CD2 3.43Å; R322-Y326 VanDerWaalsContact O-CG 3.27Å; R322-Y326 PolarHBondContact O-N 2.92Å
323	E	88.4	Confident	92.2	Very high	121 Å²	121	46.9 Å²	46.9	57%	0.565	23%	0.225	S	C	*	.	H	α-helix	trans	-57	-45.2	177.1	-168.7	-170.9	158.1	0	0	111.2	D320 L325 Y326 N327	D320-E323 HydrophobicContact CB-CB 3.99Å; D320-E323 PolarHBondContact OD1-N 2.9Å; E323-L325 PolarHBondContact O-N 2.74Å; E323-Y326 PolarHBondContact O-N 3.37Å; E323-N327 VanDerWaalsContact O-CB 3.28Å; E323-N327 WeakPolarHBondContact O-CB 3.37Å; E323-N327 PolarHBondContact O-N 3.43Å
324	M	90.4	Very high	92.2	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-48.5	178.9	-170.1	-171.8	70.3	0	0	111.3	Y259 V262 K264 V290 L292 D320 R322 Y326 N327 S328	Y259-M324 HydrophobicContact CD2-CG 4.28Å; Y259-M324 HydrophobicContact CE2-CG 4.18Å; V262-M324 HydrophobicContact CB-CE 3.87Å; V262-M324 HydrophobicContact CB-CG 3.99Å; V262-M324 HydrophobicContact CB-SD 3.96Å; V262-M324 HydrophobicContact CG1-CG 3.83Å; V262-M324 HydrophobicContact CG1-SD 4.17Å; V262-M324 HydrophobicContact CG2-CE 3.99Å; V262-M324 HydrophobicContact CG2-CG 4.25Å; K264-M324 HydrophobicContact CB-CE 3.35Å; K264-M324 HydrophobicContact CB-SD 4.34Å; V290-M324 HydrophobicContact CG1-SD 4.04Å; L292-M324 HydrophobicContact CD1-SD 4.33Å; D320-M324 WeakPolarHBondContact O-CB 3.45Å; D320-M324 PolarHBondContact O-N 2.91Å; R322-M324 VanDerWaalsContact C-N 3.29Å; R322-M324 PolarHBondContact O-N 3.33Å; M324-Y326 PolarHBondContact O-N 3.07Å; M324-N327 CarbonylContact O-C 3.32Å; M324-N327 PolarHBondContact O-N 3.46Å; M324-S328 WeakPolarHBondContact O-CB 3.28Å; M324-S328 PolarHBondContact O-N 3.38Å; M324-S328 PolarHBondContact O-OG 3.17Å
325	L	89	Confident	92	Very high	15 Å²	15	46.5 Å²	46.5	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-57.9	-48.5	177.6	-89.9	163.1	0	0	0	113.3	Y321 R322 E323 N327 S328 C331 E346 A350	Y321-L325 HydrophobicContact CD1-CD1 4.21Å; Y321-L325 HydrophobicContact CD2-CD1 4.22Å; Y321-L325 HydrophobicContact CE1-CD1 3.56Å; Y321-L325 HydrophobicContact CE2-CD1 3.54Å; Y321-L325 HydrophobicContact CE2-CG 4.11Å; Y321-L325 PolarHBondContact O-N 3.02Å; Y321-L325 WeakPolarHBondContact OH-CD1 3.5Å; R322-L325 PolarHBondContact O-N 3.47Å; E323-L325 PolarHBondContact O-N 2.74Å; L325-N327 PolarHBondContact O-N 2.85Å; L325-S328 PolarHBondContact O-N 3.21Å; L325-C331 WeakPolarHBondContact CD2-SG 3.3Å; L325-E346 HydrophobicContact CD1-CB 4.44Å; L325-A350 HydrophobicContact CB-CB 4.17Å; L325-A350 HydrophobicContact CD2-CB 4.37Å
326	Y	86.9	Confident	91.7	Very high	61 Å²	61	44.3 Å²	44.3	24%	0.239	20%	0.201	C	C	.	.	H	α-helix	trans	-67.7	-26.9	-177.7	-58.1	-37.7	0	0	0	112.5	Y247 R257 R322 E323 M324 A350	Y247-Y326 AromaticContact CD1-CD1 3.75Å; Y247-Y326 HydrophobicContact CD1-CD1 3.75Å; Y247-Y326 HydrophobicContact CD1-CD2 4.47Å; Y247-Y326 AromaticContact CD1-CE1 3.6Å; Y247-Y326 HydrophobicContact CD1-CE1 3.6Å; Y247-Y326 HydrophobicContact CD1-CE2 4.32Å; Y247-Y326 HydrophobicContact CD1-CG 4.23Å; Y247-Y326 AromaticContact CD1-CZ 3.92Å; Y247-Y326 HydrophobicContact CD2-CD1 4.11Å; Y247-Y326 AromaticContact CD2-CE1 3.52Å; Y247-Y326 HydrophobicContact CD2-CE1 3.52Å; Y247-Y326 HydrophobicContact CE1-CD1 4.11Å; Y247-Y326 HydrophobicContact CE1-CD2 4.36Å; Y247-Y326 AromaticContact CE1-CE1 3.54Å; Y247-Y326 HydrophobicContact CE1-CE1 3.54Å; Y247-Y326 AromaticContact CE1-CE2 3.8Å; Y247-Y326 HydrophobicContact CE1-CE2 3.8Å; Y247-Y326 AromaticContact CE1-CZ 3.39Å; Y247-Y326 HydrophobicContact CE2-CD1 4.46Å; Y247-Y326 AromaticContact CE2-CE1 3.48Å; Y247-Y326 HydrophobicContact CE2-CE1 3.48Å; Y247-Y326 VanDerWaalsContact CE2-CE1 3.48Å; Y247-Y326 AromaticContact CE2-CZ 3.76Å; Y247-Y326 AromaticContact CG-CD1 3.76Å; Y247-Y326 HydrophobicContact CG-CD1 3.76Å; Y247-Y326 AromaticContact CG-CE1 3.6Å; Y247-Y326 HydrophobicContact CG-CE1 3.6Å; Y247-Y326 AromaticContact CZ-CE1 3.51Å; Y247-Y326 AromaticContact CZ-CZ 3.31Å; Y247-Y326 PolarHBondContact OH-OH 3.07Å; R257-Y326 WeakPolarHBondContact CD-O 3.23Å; R257-Y326 PolarHBondContact NE-O 2.74Å; R257-Y326 VanDerWaalsContact NE-O 3.15Å; R257-Y326 PolarHBondContact NH1-O 2.8Å; R322-Y326 HydrophobicContact CB-CD2 4.37Å; R322-Y326 HydrophobicContact CB-CE2 3.76Å; R322-Y326 PolarHBondContact NE-OH 3.49Å; R322-Y326 PolarHBondContact NH2-OH 3.13Å; R322-Y326 WeakPolarHBondContact O-CD2 3.43Å; R322-Y326 VanDerWaalsContact O-CG 3.27Å; R322-Y326 PolarHBondContact O-N 2.92Å; E323-Y326 PolarHBondContact O-N 3.37Å; M324-Y326 PolarHBondContact O-N 3.07Å; Y326-A350 HydrophobicContact CD1-CB 3.81Å; Y326-A350 HydrophobicContact CE1-CB 4.05Å
327	N	89.8	Confident	91.1	Very high	50 Å²	50	45.7 Å²	45.7	27%	0.267	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	20.9	-178.9	-151	-0.8	0	0	0	113.6	R257 K258 Y259 E323 M324 L325	R257-N327 WeakPolarHBondContact CB-O 3.24Å; K258-N327 WeakPolarHBondContact CB-ND2 3.32Å; K258-N327 PolarHBondContact N-O 3.47Å; K258-N327 PolarHBondContact N-OD1 2.73Å; Y259-N327 HydrophobicContact CD2-CB 4.38Å; Y259-N327 WeakPolarHBondContact CD2-O 3.14Å; Y259-N327 PolarHBondContact N-O 2.94Å; E323-N327 VanDerWaalsContact O-CB 3.28Å; E323-N327 WeakPolarHBondContact O-CB 3.37Å; E323-N327 PolarHBondContact O-N 3.43Å; M324-N327 CarbonylContact O-C 3.32Å; M324-N327 PolarHBondContact O-N 3.46Å; L325-N327 PolarHBondContact O-N 2.85Å
328	S	92.9	Very high	90.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.9	-178.9	-63.1	0	0	0	0	114.6	R257 Y259 V262 M324 L325 C352	R257-S328 WeakPolarHBondContact CD-O 3.08Å; R257-S328 PolarHBondContact NH1-O 2.83Å; Y259-S328 CarbonylContact O-C 3.51Å; Y259-S328 WeakPolarHBondContact O-CA 3.31Å; V262-S328 WeakPolarHBondContact CG1-OG 3.4Å; V262-S328 WeakPolarHBondContact CG2-OG 3.46Å; M324-S328 WeakPolarHBondContact O-CB 3.28Å; M324-S328 PolarHBondContact O-N 3.38Å; M324-S328 PolarHBondContact O-OG 3.17Å; L325-S328 PolarHBondContact O-N 3.21Å; S328-C352 PolarHBondContact O-SG 3.24Å; S328-C352 VanDerWaalsContact O-SG 3.42Å
329	T	93.9	Very high	90.8	Very high	18 Å²	18	37.1 Å²	37.1	11%	0.11	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-49.3	179.3	-59.5	0	0	0	0	113.2	Y259 V353 I398 R402	Y259-T329 PolarHBondContact O-N 2.97Å; Y259-T329 PolarHBondContact O-OG1 3.2Å; T329-V353 PolarHBondContact O-N 3.36Å; T329-I398 HydrophobicContact CG2-CD1 4.15Å; T329-I398 HydrophobicContact CG2-CG2 3.73Å; T329-R402 VanDerWaalsContact CA-NH2 3.28Å; T329-R402 PolarHBondContact OG1-NH2 3.2Å
330	F	96.5	Very high	90.8	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.4	177.6	-63.6	-84.7	0	0	0	110.1	V260 L261 V262 V353 V355 V376 V390 I393 I398	V260-F330 HydrophobicContact CG1-CD2 4.4Å; V260-F330 WeakPolarHBondContact O-CB 3.26Å; V260-F330 WeakPolarHBondContact O-CD2 3.41Å; V260-F330 PolarHBondContact O-N 3.16Å; L261-F330 WeakPolarHBondContact CA-O 3.47Å; L261-F330 HydrophobicContact CD1-CB 3.71Å; V262-F330 PolarHBondContact N-O 2.9Å; F330-V353 CarbonylContact C-O 3.59Å; F330-V353 VanDerWaalsContact CA-O 3.3Å; F330-V353 WeakPolarHBondContact CA-O 3.28Å; F330-V353 HydrophobicContact CD1-CB 3.63Å; F330-V353 HydrophobicContact CD1-CG1 3.79Å; F330-V353 HydrophobicContact CE1-CB 3.89Å; F330-V353 HydrophobicContact CE1-CG1 3.81Å; F330-V353 HydrophobicContact CE1-CG2 4.43Å; F330-V355 HydrophobicContact CB-CG2 3.75Å; F330-V355 HydrophobicContact CD1-CG2 3.84Å; F330-V355 HydrophobicContact CG-CG2 4.17Å; F330-V376 HydrophobicContact CD1-CG2 4.37Å; F330-V376 HydrophobicContact CE1-CG2 4Å; F330-V390 HydrophobicContact CB-CG1 4.44Å; F330-V390 HydrophobicContact CD1-CB 4.4Å; F330-V390 HydrophobicContact CD1-CG1 4.16Å; F330-V390 HydrophobicContact CD2-CB 3.74Å; F330-V390 HydrophobicContact CD2-CG1 4.28Å; F330-V390 HydrophobicContact CD2-CG2 4.31Å; F330-V390 HydrophobicContact CE1-CB 4.5Å; F330-V390 HydrophobicContact CE2-CB 3.85Å; F330-V390 HydrophobicContact CG-CB 4.03Å; F330-V390 HydrophobicContact CG-CG1 4.04Å; F330-V390 HydrophobicContact CZ-CB 4.23Å; F330-I393 HydrophobicContact CE1-CD1 3.79Å; F330-I393 HydrophobicContact CZ-CB 4.17Å; F330-I393 HydrophobicContact CZ-CD1 3.77Å; F330-I393 HydrophobicContact CZ-CG1 4.47Å; F330-I393 HydrophobicContact CZ-CG2 4.45Å; F330-I398 HydrophobicContact CE2-CD1 4.02Å; F330-I398 HydrophobicContact CE2-CG1 4.31Å; F330-I398 HydrophobicContact CZ-CD1 3.98Å; F330-I398 HydrophobicContact CZ-CG1 3.78Å
331	C	96.8	Very high	90.6	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.041	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118	178.2	-77	0	0	0	0	108.8	L325 V333 A347 C352 V353 P354 V355	L325-C331 WeakPolarHBondContact CD2-SG 3.3Å; C331-V333 PolarHBondContact O-N 3.35Å; C331-A347 HydrophobicContact CB-CB 3.8Å; C331-C352 VanDerWaalsContact CA-SG 3.56Å; C331-C352 HydrophobicContact CB-CB 3.85Å; C331-C352 WeakPolarHBondContact CB-SG 3.44Å; C331-C352 PolarHBondContact N-SG 2.98Å; C331-C352 WeakPolarHBondContact SG-CB 3.31Å; C331-C352 CovalentContact SG-SG 2.02Å; C331-C352 PolarHBondContact SG-SG 3.23Å; C331-V353 PolarHBondContact N-O 2.68Å; C331-P354 CarbonylContact O-C 3.6Å; C331-P354 WeakPolarHBondContact O-CA 3.4Å; C331-V355 PolarHBondContact O-N 3.13Å
332	L	96.7	Very high	90.7	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.5	177.7	-164.9	69.3	0	0	0	109.3	L261 V262 F263 L280 L291 P334 V355 L357 I386	L261-L332 HydrophobicContact CD1-CB 4.22Å; V262-L332 PolarHBondContact O-N 2.86Å; F263-L332 HydrophobicContact CB-CB 4.11Å; F263-L332 HydrophobicContact CB-CD2 4.5Å; F263-L332 WeakPolarHBondContact CD2-O 3.3Å; L280-L332 HydrophobicContact CD2-CD2 3.48Å; L280-L332 VanDerWaalsContact CD2-CD2 3.48Å; L291-L332 HydrophobicContact CD2-CD2 4.34Å; L332-P334 HydrophobicContact CD2-CG 4.49Å; L332-P334 VanDerWaalsContact O-CD 3.25Å; L332-P334 WeakPolarHBondContact O-CD 3.26Å; L332-V355 HydrophobicContact CD1-CB 4.09Å; L332-V355 HydrophobicContact CD1-CG1 3.87Å; L332-L357 HydrophobicContact CD1-CB 4.24Å; L332-L357 HydrophobicContact CD1-CD2 4.34Å; L332-I386 HydrophobicContact CD1-CG2 4.4Å
333	V	95.7	Very high	90.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	75.8	175.9	-173.6	0	0	0	0	107.7	C331 R343 F344 A347 P354 V355 M356 L357	C331-V333 PolarHBondContact O-N 3.35Å; V333-R343 HydrophobicContact CG1-CB 4.25Å; V333-R343 HydrophobicContact CG2-CB 4.43Å; V333-F344 HydrophobicContact CG1-CB 4.07Å; V333-A347 HydrophobicContact CG2-CB 4.44Å; V333-P354 HydrophobicContact CG2-CB 3.94Å; V333-V355 PolarHBondContact N-O 3.13Å; V333-M356 HydrophobicContact CB-CE 4.13Å; V333-M356 HydrophobicContact CB-SD 3.9Å; V333-M356 HydrophobicContact CG1-CE 3.83Å; V333-M356 HydrophobicContact CG1-SD 4.18Å; V333-M356 HydrophobicContact CG2-SD 4.14Å; V333-L357 PolarHBondContact O-N 2.91Å
334	P	93.4	Very high	91.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	153.3	178.5	34.3	-34.3	0	0	0	111.4	F263 T276 L332 G336 L357	F263-P334 HydrophobicContact CD2-CG 3.78Å; F263-P334 HydrophobicContact CE1-CG 4.43Å; F263-P334 VanDerWaalsContact CE2-CD 3.4Å; F263-P334 HydrophobicContact CE2-CG 3.34Å; F263-P334 HydrophobicContact CG-CG 4.49Å; F263-P334 HydrophobicContact CZ-CG 3.7Å; T276-P334 HydrophobicContact CG2-CB 4.3Å; L332-P334 HydrophobicContact CD2-CG 4.49Å; L332-P334 VanDerWaalsContact O-CD 3.25Å; L332-P334 WeakPolarHBondContact O-CD 3.26Å; P334-G336 PolarHBondContact O-N 3.32Å; P334-L357 CarbonylContact C-O 3.59Å; P334-L357 WeakPolarHBondContact CA-O 3.44Å; P334-L357 HydrophobicContact CB-CB 4.49Å
335	R	88.5	Confident	91.5	Very high	57 Å²	57	23.6 Å²	23.6	22%	0.215	11%	0.106	C	C	.	.			trans	-42.5	137.5	171	-168.7	-172.1	-66	-135.1	-7.9	111.6	R277 L339 L357 N359 E380	R277-R335 PolarHBondContact NE-O 3.41Å; R277-R335 PolarHBondContact NH2-O 2.88Å; R335-L339 HydrophobicContact CG-CD2 4.39Å; R335-L339 VanDerWaalsContact CZ-CD2 3.5Å; R335-L357 PolarHBondContact N-O 3.11Å; R335-N359 PolarHBondContact NH2-O 3.12Å; R335-E380 IonicContact CZ-OE1 3.62Å; R335-E380 VanDerWaalsContact CZ-OE1 3.23Å; R335-E380 IonicContact NE-OE1 2.82Å; R335-E380 PolarHBondContact NE-OE1 2.56Å; R335-E380 IonicContact NE-OE2 3.5Å; R335-E380 IonicContact NH2-OE1 3.53Å; R335-E380 PolarHBondContact NH2-OE1 2.97Å
336	G	84.5	Confident	91.7	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.021	11%	0.112	C	C	.	.			trans	-98.5	-149.5	172.6	0	0	0	0	0	112.1	R277 P334 R338	R277-G336 VanDerWaalsContact NH2-CA 3.31Å; P334-G336 PolarHBondContact O-N 3.32Å; G336-R338 CarbonylContact C-O 3.42Å; G336-R338 VanDerWaalsContact C-O 3.31Å; G336-R338 WeakPolarHBondContact CA-O 3.19Å; G336-R338 PolarHBondContact N-O 2.9Å; G336-R338 PolarHBondContact O-N 3.09Å
337	R	81.6	Confident	92.1	Very high	72 Å²	72	22.2 Å²	22.2	27%	0.272	10%	0.101	S	C	.	.	S	Bend	trans	-62.5	-27.7	163.9	-79.1	165.8	168.4	-154.8	-17.5	112.3	Y200 Y268 H297	Y200-R337 HydrophobicContact CD1-CB 4.43Å; Y200-R337 HydrophobicContact CD2-CB 4.07Å; Y200-R337 HydrophobicContact CD2-CG 4.39Å; Y200-R337 HydrophobicContact CE1-CB 4.26Å; Y200-R337 HydrophobicContact CE2-CB 3.85Å; Y200-R337 HydrophobicContact CE2-CG 3.71Å; Y200-R337 HydrophobicContact CG-CB 4.35Å; Y200-R337 VanDerWaalsContact OH-CD 3.29Å; Y200-R337 WeakPolarHBondContact OH-CD 3.18Å; Y200-R337 PolarHBondContact OH-NE 3.02Å; Y200-R337 PolarHBondContact OH-NH1 2.81Å; Y200-R337 VanDerWaalsContact OH-NH1 3.13Å; Y268-R337 HydrophobicContact CD1-CG 4.06Å; Y268-R337 HydrophobicContact CD2-CG 4.29Å; Y268-R337 HydrophobicContact CE1-CG 3.67Å; Y268-R337 VanDerWaalsContact CE1-NE 3.26Å; Y268-R337 HydrophobicContact CE2-CG 3.94Å; Y268-R337 HydrophobicContact CG-CG 4.35Å; H297-R337 PolarHBondContact CE1-NH1 3.02Å; H297-R337 VanDerWaalsContact CE1-NH1 3.32Å; H297-R337 PolarHBondContact CE1-NH2 3.16Å; H297-R337 PolarHBondContact ND1-NH2 3.14Å
338	R	88.8	Confident	92.4	Very high	38 Å²	38	19.9 Å²	19.9	14%	0.143	9%	0.088	C	C	.	.	S	Bend	trans	-119.5	171.6	171.6	-60.9	176.2	-179.1	93	3.7	108.1	D161 S194 G195 G336	D161-R338 IonicContact OD2-NH2 3Å; S194-R338 VanDerWaalsContact O-CZ 3.24Å; S194-R338 PolarHBondContact O-NE 3.04Å; S194-R338 PolarHBondContact O-NH2 3.4Å; G195-R338 PolarHBondContact O-NH2 3.34Å; G336-R338 CarbonylContact C-O 3.42Å; G336-R338 VanDerWaalsContact C-O 3.31Å; G336-R338 WeakPolarHBondContact CA-O 3.19Å; G336-R338 PolarHBondContact N-O 2.9Å; G336-R338 PolarHBondContact O-N 3.09Å
339	L	90.5	Very high	92.4	Very high	18 Å²	18	21.5 Å²	21.5	9%	0.094	10%	0.096	C	C	.	.	S	Bend	trans	-61.5	-47.2	-179.6	-65.3	176.2	0	0	0	112.4	R335 S358 W361	R335-L339 HydrophobicContact CG-CD2 4.39Å; R335-L339 VanDerWaalsContact CZ-CD2 3.5Å; L339-S358 PolarHBondContact O-OG 3.41Å; L339-W361 HydrophobicContact CB-CB 3.91Å; L339-W361 HydrophobicContact CB-CG 3.9Å; L339-W361 HydrophobicContact CD1-CB 4.45Å
340	G	89.7	Confident	92.2	Very high	4 Å²	4	20.7 Å²	20.7	4%	0.041	9%	0.091	C	C	.	.			trans	-81.8	155.2	175.7	0	0	0	0	0	113.4	S217	S217-G340 VanDerWaalsContact CB-N 3.32Å; S217-G340 VanDerWaalsContact OG-CA 3.25Å; S217-G340 WeakPolarHBondContact OG-CA 3.06Å; S217-G340 PolarHBondContact OG-N 3.2Å; S217-G340 VanDerWaalsContact OG-N 3.11Å
341	S	89.6	Confident	92	Very high	12 Å²	12	20.6 Å²	20.6	8%	0.084	9%	0.091	C	C	.	.			trans	-143.6	156.1	172.9	76	0	0	0	0	112	R343 F344	S341-R343 PolarHBondContact O-N 2.57Å; S341-R343 VanDerWaalsContact O-N 3.09Å; S341-R343 WeakPolarHBondContact OG-CB 3.19Å; S341-F344 VanDerWaalsContact O-CB 3.32Å; S341-F344 WeakPolarHBondContact O-CB 3.2Å; S341-F344 PolarHBondContact O-N 2.95Å; S341-F344 VanDerWaalsContact O-N 3.09Å
342	F	91.8	Very high	91.8	Very high	74 Å²	74	20.3 Å²	20.3	33%	0.325	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.8	175.4	-57.3	-63.6	0	0	0	113.2	Y193 L233 F234 F344 L345 E346	Y193-F342 HydrophobicContact CE1-CZ 4.05Å; Y193-F342 WeakPolarHBondContact OH-CZ 3.34Å; L233-F342 HydrophobicContact CD1-CE1 4.3Å; L233-F342 HydrophobicContact CD2-CD1 4.18Å; L233-F342 HydrophobicContact CD2-CE1 3.94Å; L233-F342 HydrophobicContact CD2-CE2 4.41Å; L233-F342 HydrophobicContact CD2-CZ 4.06Å; L233-F342 HydrophobicContact CG-CD1 3.93Å; L233-F342 HydrophobicContact CG-CE1 3.58Å; L233-F342 HydrophobicContact CG-CZ 4.12Å; F234-F342 VanDerWaalsContact C-CE1 3.47Å; F342-F344 PolarHBondContact O-N 3.28Å; F342-L345 PolarHBondContact O-N 3.46Å; F342-L345 VanDerWaalsContact O-N 3.13Å; F342-E346 PolarHBondContact O-N 2.91Å; F342-E346 VanDerWaalsContact O-OE2 3.09Å
343	R	92.8	Very high	91.8	Very high	50 Å²	50	20.2 Å²	20.2	19%	0.189	9%	0.088	C	C	.	.	H	α-helix	trans	-54.3	-29.6	176.6	-62.1	-64	89.5	143.5	-1.3	112.4	F263 K264 Y321 V333 S341 E346 A347	F263-R343 HydrophobicContact CE2-CG 4.17Å; K264-R343 PolarHBondContact O-NH1 3.3Å; Y321-R343 PolarHBondContact OH-NE 3.38Å; Y321-R343 PolarHBondContact OH-NH1 3.1Å; Y321-R343 VanDerWaalsContact OH-NH1 3.16Å; Y321-R343 PolarHBondContact OH-NH2 3.44Å; V333-R343 HydrophobicContact CG1-CB 4.25Å; V333-R343 HydrophobicContact CG2-CB 4.43Å; S341-R343 PolarHBondContact O-N 2.57Å; S341-R343 VanDerWaalsContact O-N 3.09Å; S341-R343 WeakPolarHBondContact OG-CB 3.19Å; R343-E346 WeakPolarHBondContact CA-OE2 3.45Å; R343-E346 IonicContact CZ-OE1 3.5Å; R343-E346 IonicContact CZ-OE2 3.83Å; R343-E346 PolarHBondContact N-OE2 2.84Å; R343-E346 IonicContact NE-OE2 3.25Å; R343-E346 PolarHBondContact NE-OE2 3.4Å; R343-E346 IonicContact NH2-OE1 3.51Å; R343-E346 PolarHBondContact NH2-OE1 3.45Å; R343-E346 IonicContact NH2-OE2 3.4Å; R343-E346 PolarHBondContact NH2-OE2 2.89Å; R343-A347 VanDerWaalsContact O-CB 3.25Å; R343-A347 WeakPolarHBondContact O-CB 3.34Å; R343-A347 PolarHBondContact O-N 3.49Å
344	F	95.7	Very high	91.9	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-56.1	177.1	179	-107.7	0	0	0	111.9	P232 V333 S341 F342 E346 A347 L348 M356 W361 P364 W371	P232-F344 HydrophobicContact CB-CD1 4.48Å; V333-F344 HydrophobicContact CG1-CB 4.07Å; S341-F344 VanDerWaalsContact O-CB 3.32Å; S341-F344 WeakPolarHBondContact O-CB 3.2Å; S341-F344 PolarHBondContact O-N 2.95Å; S341-F344 VanDerWaalsContact O-N 3.09Å; F342-F344 PolarHBondContact O-N 3.28Å; F344-E346 PolarHBondContact O-N 2.97Å; F344-A347 PolarHBondContact O-N 3.09Å; F344-L348 HydrophobicContact CD1-CD1 4.31Å; F344-L348 HydrophobicContact CE1-CD1 3.86Å; F344-L348 HydrophobicContact CZ-CD1 4.05Å; F344-L348 WeakPolarHBondContact O-CG 3.41Å; F344-L348 PolarHBondContact O-N 3.37Å; F344-M356 HydrophobicContact CD2-CE 3.73Å; F344-M356 HydrophobicContact CD2-SD 3.82Å; F344-M356 HydrophobicContact CE2-CE 4.09Å; F344-M356 HydrophobicContact CE2-SD 4.05Å; F344-W361 HydrophobicContact CB-CH2 4.04Å; F344-W361 HydrophobicContact CD1-CH2 4.26Å; F344-W361 HydrophobicContact CD2-CH2 4.04Å; F344-W361 HydrophobicContact CD2-CZ3 4.36Å; F344-W361 AromaticContact CG-CH2 3.85Å; F344-W361 HydrophobicContact CG-CH2 3.85Å; F344-P364 HydrophobicContact CD1-CG 4.24Å; F344-P364 HydrophobicContact CE1-CB 4.27Å; F344-P364 HydrophobicContact CE1-CG 3.59Å; F344-P364 HydrophobicContact CZ-CG 4.05Å; F344-W371 HydrophobicContact CE1-CH2 4.09Å; F344-W371 HydrophobicContact CE1-CZ2 4.35Å; F344-W371 HydrophobicContact CE2-CH2 4Å; F344-W371 HydrophobicContact CE2-CZ2 4.45Å; F344-W371 HydrophobicContact CE2-CZ3 4Å; F344-W371 HydrophobicContact CZ-CE3 4.44Å; F344-W371 AromaticContact CZ-CH2 3.25Å; F344-W371 HydrophobicContact CZ-CH2 3.25Å; F344-W371 AromaticContact CZ-CZ2 3.54Å; F344-W371 HydrophobicContact CZ-CZ2 3.54Å; F344-W371 AromaticContact CZ-CZ3 3.73Å; F344-W371 HydrophobicContact CZ-CZ3 3.73Å
345	L	95.7	Very high	92.1	Very high	9 Å²	9	20 Å²	20	5%	0.047	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-38.1	-179.8	-70	-174.2	0	0	0	112.2	P232 L233 F234 F342 A347 L348 Q349 W409 F413	P232-L345 HydrophobicContact CB-CD1 4.07Å; P232-L345 HydrophobicContact CB-CD2 3.7Å; P232-L345 HydrophobicContact CB-CG 4.03Å; P232-L345 HydrophobicContact CG-CD1 4.43Å; P232-L345 HydrophobicContact CG-CD2 4.24Å; L233-L345 WeakPolarHBondContact O-CD1 3.37Å; F234-L345 HydrophobicContact CB-CD1 3.86Å; F342-L345 PolarHBondContact O-N 3.46Å; F342-L345 VanDerWaalsContact O-N 3.13Å; L345-A347 PolarHBondContact O-N 3.17Å; L345-L348 HydrophobicContact CD2-CD1 4.36Å; L345-L348 PolarHBondContact O-N 3.5Å; L345-Q349 PolarHBondContact O-N 3.38Å; L345-W409 HydrophobicContact CB-CZ3 4.28Å; L345-W409 HydrophobicContact CD2-CZ3 4.43Å; L345-F413 HydrophobicContact CD2-CB 3.87Å; L345-F413 HydrophobicContact CD2-CD1 4.16Å; L345-F413 HydrophobicContact CD2-CG 4.07Å
346	E	94.3	Very high	92.4	Very high	47 Å²	47	17.7 Å²	17.7	22%	0.22	8%	0.079	C	C	.	.	H	α-helix	trans	-66.2	-37.9	179.6	-66.7	160	137	0	0	112.1	Y321 L325 F342 R343 F344 A350	Y321-E346 PolarHBondContact OH-OE1 3.04Å; Y321-E346 PolarHBondContact OH-OE2 3.48Å; L325-E346 HydrophobicContact CD1-CB 4.44Å; F342-E346 PolarHBondContact O-N 2.91Å; F342-E346 VanDerWaalsContact O-OE2 3.09Å; R343-E346 WeakPolarHBondContact CA-OE2 3.45Å; R343-E346 IonicContact CZ-OE1 3.5Å; R343-E346 IonicContact CZ-OE2 3.83Å; R343-E346 PolarHBondContact N-OE2 2.84Å; R343-E346 IonicContact NE-OE2 3.25Å; R343-E346 PolarHBondContact NE-OE2 3.4Å; R343-E346 IonicContact NH2-OE1 3.51Å; R343-E346 PolarHBondContact NH2-OE1 3.45Å; R343-E346 IonicContact NH2-OE2 3.4Å; R343-E346 PolarHBondContact NH2-OE2 2.89Å; F344-E346 PolarHBondContact O-N 2.97Å; E346-A350 VanDerWaalsContact O-CB 3.29Å; E346-A350 WeakPolarHBondContact O-CB 3.13Å; E346-A350 PolarHBondContact O-N 3.07Å
347	A	95.2	Very high	92.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.7	-44.8	172.9	0	0	0	0	0	111	C331 V333 R343 F344 L345 A350 A351 C352 P354	C331-A347 HydrophobicContact CB-CB 3.8Å; V333-A347 HydrophobicContact CG2-CB 4.44Å; R343-A347 VanDerWaalsContact O-CB 3.25Å; R343-A347 WeakPolarHBondContact O-CB 3.34Å; R343-A347 PolarHBondContact O-N 3.49Å; F344-A347 PolarHBondContact O-N 3.09Å; L345-A347 PolarHBondContact O-N 3.17Å; A347-A350 PolarHBondContact O-N 3.29Å; A347-A351 PolarHBondContact O-N 2.95Å; A347-C352 CarbonylContact C-O 3.49Å; A347-C352 PolarHBondContact O-N 3.45Å; A347-C352 VanDerWaalsContact O-O 3.07Å; A347-P354 HydrophobicContact CB-CB 4.18Å
348	L	95.1	Very high	93.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.6	-48.5	178.2	-65.5	177.9	0	0	0	111.7	F344 L345 A350 A351 P354 W371 T405 Q406 W409 F413	F344-L348 HydrophobicContact CD1-CD1 4.31Å; F344-L348 HydrophobicContact CE1-CD1 3.86Å; F344-L348 HydrophobicContact CZ-CD1 4.05Å; F344-L348 WeakPolarHBondContact O-CG 3.41Å; F344-L348 PolarHBondContact O-N 3.37Å; L345-L348 HydrophobicContact CD2-CD1 4.36Å; L345-L348 PolarHBondContact O-N 3.5Å; L348-A350 VanDerWaalsContact C-N 3.35Å; L348-A350 PolarHBondContact O-N 3.11Å; L348-A351 PolarHBondContact O-N 3.13Å; L348-P354 HydrophobicContact CD2-CG 4.1Å; L348-W371 HydrophobicContact CD1-CH2 4.16Å; L348-W371 HydrophobicContact CD2-CZ3 4.21Å; L348-T405 VanDerWaalsContact CA-CG2 3.46Å; L348-T405 HydrophobicContact CB-CG2 4.09Å; L348-T405 HydrophobicContact CD2-CG2 3.6Å; L348-T405 HydrophobicContact CG-CG2 4.45Å; L348-T405 WeakPolarHBondContact O-CG2 3.42Å; L348-Q406 PolarHBondContact O-NE2 2.68Å; L348-W409 HydrophobicContact CB-CB 4.45Å; L348-W409 HydrophobicContact CB-CE3 4.29Å; L348-F413 HydrophobicContact CD1-CD2 3.77Å; L348-F413 HydrophobicContact CD1-CE2 4.1Å; L348-F413 HydrophobicContact CD1-CG 4.43Å
349	Q	92.9	Very high	93.5	Very high	35 Å²	35	15.6 Å²	15.6	16%	0.164	8%	0.076	C	C	.	.	H	α-helix	trans	-57.2	-47.6	177.6	-172.8	-173.9	22.6	0	0	111.4	E244 Y247 L345 A351 Q406 W409	E244-Q349 PolarHBondContact OE2-NE2 2.88Å; Y247-Q349 HydrophobicContact CD2-CG 4.03Å; Y247-Q349 WeakPolarHBondContact CD2-O 3.45Å; Y247-Q349 HydrophobicContact CE2-CG 3.87Å; Y247-Q349 PolarHBondContact N-O 2.89Å; L345-Q349 PolarHBondContact O-N 3.38Å; Q349-A351 PolarHBondContact O-N 3.03Å; Q349-A351 VanDerWaalsContact O-N 3.09Å; Q349-Q406 PolarHBondContact O-NE2 2.84Å; Q349-Q406 VanDerWaalsContact O-NE2 3.13Å; Q349-W409 HydrophobicContact CB-CD2 3.99Å; Q349-W409 HydrophobicContact CB-CE3 4.15Å; Q349-W409 HydrophobicContact CB-CH2 3.95Å; Q349-W409 HydrophobicContact CB-CZ2 3.78Å; Q349-W409 HydrophobicContact CB-CZ3 4.14Å; Q349-W409 HydrophobicContact CG-CD2 4.37Å; Q349-W409 HydrophobicContact CG-CH2 4.12Å; Q349-W409 HydrophobicContact CG-CZ2 3.53Å
350	A	91.3	Very high	93.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.008	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-0	-176.6	0	0	0	0	0	115.1	R257 L325 Y326 E346 A347 L348 C352	R257-A350 PolarHBondContact NH1-O 2.87Å; R257-A350 VanDerWaalsContact NH1-O 3.12Å; R257-A350 PolarHBondContact NH2-O 3.3Å; L325-A350 HydrophobicContact CB-CB 4.17Å; L325-A350 HydrophobicContact CD2-CB 4.37Å; Y326-A350 HydrophobicContact CD1-CB 3.81Å; Y326-A350 HydrophobicContact CE1-CB 4.05Å; E346-A350 VanDerWaalsContact O-CB 3.29Å; E346-A350 WeakPolarHBondContact O-CB 3.13Å; E346-A350 PolarHBondContact O-N 3.07Å; A347-A350 PolarHBondContact O-N 3.29Å; L348-A350 VanDerWaalsContact C-N 3.35Å; L348-A350 PolarHBondContact O-N 3.11Å; A350-C352 HydrophobicContact CB-CB 4.17Å; A350-C352 PolarHBondContact O-N 2.88Å
351	A	90.8	Very high	93.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	33.6	-169	0	0	0	0	0	112.1	L248 R257 A347 L348 Q349 R402 Q406	L248-A351 HydrophobicContact CB-CB 3.84Å; L248-A351 HydrophobicContact CD1-CB 4.47Å; R257-A351 PolarHBondContact NH1-O 2.97Å; A347-A351 PolarHBondContact O-N 2.95Å; L348-A351 PolarHBondContact O-N 3.13Å; Q349-A351 PolarHBondContact O-N 3.03Å; Q349-A351 VanDerWaalsContact O-N 3.09Å; A351-R402 WeakPolarHBondContact O-CG 3.24Å; A351-R402 PolarHBondContact O-NE 3.25Å; A351-Q406 VanDerWaalsContact CB-CD 3.49Å; A351-Q406 HydrophobicContact CB-CG 3.78Å
352	C	93.2	Very high	94.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-99.1	118.6	176.7	-168.7	0	0	0	0	107.3	S328 C331 A347 A350 P354	S328-C352 PolarHBondContact O-SG 3.24Å; S328-C352 VanDerWaalsContact O-SG 3.42Å; C331-C352 VanDerWaalsContact CA-SG 3.56Å; C331-C352 HydrophobicContact CB-CB 3.85Å; C331-C352 WeakPolarHBondContact CB-SG 3.44Å; C331-C352 PolarHBondContact N-SG 2.98Å; C331-C352 WeakPolarHBondContact SG-CB 3.31Å; C331-C352 CovalentContact SG-SG 2.02Å; C331-C352 PolarHBondContact SG-SG 3.23Å; A347-C352 CarbonylContact C-O 3.49Å; A347-C352 PolarHBondContact O-N 3.45Å; A347-C352 VanDerWaalsContact O-O 3.07Å; A350-C352 HydrophobicContact CB-CB 4.17Å; A350-C352 PolarHBondContact O-N 2.88Å; C352-P354 VanDerWaalsContact O-CD 3.26Å; C352-P354 WeakPolarHBondContact O-CD 3.48Å; C352-P354 VanDerWaalsContact O-N 3.09Å
353	V	96.2	Very high	94.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	117.5	-172.4	177.6	0	0	0	0	108.6	T329 F330 C331 V355 V376 L401 R402	T329-V353 PolarHBondContact O-N 3.36Å; F330-V353 CarbonylContact C-O 3.59Å; F330-V353 VanDerWaalsContact CA-O 3.3Å; F330-V353 WeakPolarHBondContact CA-O 3.28Å; F330-V353 HydrophobicContact CD1-CB 3.63Å; F330-V353 HydrophobicContact CD1-CG1 3.79Å; F330-V353 HydrophobicContact CE1-CB 3.89Å; F330-V353 HydrophobicContact CE1-CG1 3.81Å; F330-V353 HydrophobicContact CE1-CG2 4.43Å; C331-V353 PolarHBondContact N-O 2.68Å; V353-V355 PolarHBondContact O-N 3.44Å; V353-V376 HydrophobicContact CG1-CG2 4.16Å; V353-L401 HydrophobicContact CG1-CB 4.06Å; V353-L401 HydrophobicContact CG1-CD1 4.05Å; V353-L401 HydrophobicContact CG1-CG 4.49Å; V353-L401 HydrophobicContact CG2-CB 3.78Å; V353-R402 HydrophobicContact CG2-CG 3.7Å
354	P	97.5	Very high	94.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.8	-177.8	27.2	-33.2	0	0	0	110.1	C331 V333 A347 L348 C352 M356 A374 A375 V376	C331-P354 CarbonylContact O-C 3.6Å; C331-P354 WeakPolarHBondContact O-CA 3.4Å; V333-P354 HydrophobicContact CG2-CB 3.94Å; A347-P354 HydrophobicContact CB-CB 4.18Å; L348-P354 HydrophobicContact CD2-CG 4.1Å; C352-P354 VanDerWaalsContact O-CD 3.26Å; C352-P354 WeakPolarHBondContact O-CD 3.48Å; C352-P354 VanDerWaalsContact O-N 3.09Å; P354-M356 HydrophobicContact CB-SD 3.86Å; P354-A374 WeakPolarHBondContact CD-O 3.38Å; P354-A375 HydrophobicContact CG-CB 3.83Å; P354-A375 WeakPolarHBondContact O-CA 3.14Å; P354-V376 PolarHBondContact O-N 3.37Å
355	V	97.6	Very high	94.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	99.3	170.3	-177.8	0	0	0	0	107	L261 F330 C331 L332 V333 V353 L357 V376 I386 V390	L261-V355 HydrophobicContact CD1-CG2 4.08Å; F330-V355 HydrophobicContact CB-CG2 3.75Å; F330-V355 HydrophobicContact CD1-CG2 3.84Å; F330-V355 HydrophobicContact CG-CG2 4.17Å; C331-V355 PolarHBondContact O-N 3.13Å; L332-V355 HydrophobicContact CD1-CB 4.09Å; L332-V355 HydrophobicContact CD1-CG1 3.87Å; V333-V355 PolarHBondContact N-O 3.13Å; V353-V355 PolarHBondContact O-N 3.44Å; V355-L357 PolarHBondContact O-N 3.45Å; V355-V376 CarbonylContact C-O 3.59Å; V355-V376 VanDerWaalsContact CA-O 3.3Å; V355-V376 WeakPolarHBondContact CA-O 3.37Å; V355-V376 HydrophobicContact CG1-CG1 4.46Å; V355-V376 HydrophobicContact CG2-CB 4.22Å; V355-I386 HydrophobicContact CG1-CD1 4.29Å; V355-I386 HydrophobicContact CG1-CG2 3.96Å; V355-V390 HydrophobicContact CG2-CG1 3.91Å
356	M	96.2	Very high	94.8	Very high	7 Å²	7	14.7 Å²	14.7	3%	0.034	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	124.3	-174.8	-53.7	-52.4	-60.9	0	0	109.8	V333 F344 P354 W361 L363 A375 V376 I377 G378	V333-M356 HydrophobicContact CB-CE 4.13Å; V333-M356 HydrophobicContact CB-SD 3.9Å; V333-M356 HydrophobicContact CG1-CE 3.83Å; V333-M356 HydrophobicContact CG1-SD 4.18Å; V333-M356 HydrophobicContact CG2-SD 4.14Å; F344-M356 HydrophobicContact CD2-CE 3.73Å; F344-M356 HydrophobicContact CD2-SD 3.82Å; F344-M356 HydrophobicContact CE2-CE 4.09Å; F344-M356 HydrophobicContact CE2-SD 4.05Å; P354-M356 HydrophobicContact CB-SD 3.86Å; M356-W361 HydrophobicContact CE-CE3 3.62Å; M356-W361 HydrophobicContact CE-CH2 4.04Å; M356-W361 HydrophobicContact CE-CZ3 3.12Å; M356-L363 HydrophobicContact CE-CD2 3.53Å; M356-L363 HydrophobicContact CG-CD2 4.49Å; M356-A375 HydrophobicContact CG-CB 4.14Å; M356-V376 PolarHBondContact N-O 3.28Å; M356-I377 HydrophobicContact CG-CG1 4.49Å; M356-G378 WeakPolarHBondContact O-CA 3.3Å; M356-G378 PolarHBondContact O-N 3.47Å
357	L	93.6	Very high	94.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	64.4	178.3	-160.3	76	0	0	0	109.3	T276 L332 V333 P334 R335 V355 D379 E380 L383 I386	T276-L357 HydrophobicContact CG2-CD2 3.57Å; T276-L357 HydrophobicContact CG2-CG 4.3Å; L332-L357 HydrophobicContact CD1-CB 4.24Å; L332-L357 HydrophobicContact CD1-CD2 4.34Å; V333-L357 PolarHBondContact O-N 2.91Å; P334-L357 CarbonylContact C-O 3.59Å; P334-L357 WeakPolarHBondContact CA-O 3.44Å; P334-L357 HydrophobicContact CB-CB 4.49Å; R335-L357 PolarHBondContact N-O 3.11Å; V355-L357 PolarHBondContact O-N 3.45Å; L357-D379 WeakPolarHBondContact CD1-O 3.23Å; L357-E380 HydrophobicContact CG-CG 4.09Å; L357-L383 HydrophobicContact CD2-CB 4.39Å; L357-L383 HydrophobicContact CD2-CD1 3.64Å; L357-I386 HydrophobicContact CD1-CD1 4.33Å
358	S	92.4	Very high	94.8	Very high	14 Å²	14	17 Å²	17	10%	0.098	10%	0.096	C	C	.	.			trans	-148.3	88.7	-179.6	-176.5	0	0	0	0	110	L339 W361 E380	L339-S358 PolarHBondContact O-OG 3.41Å; S358-W361 PolarHBondContact O-N 2.88Å; S358-E380 VanDerWaalsContact CA-OE1 3.23Å; S358-E380 WeakPolarHBondContact CA-OE1 3.2Å
359	N	91.8	Very high	95	Very high	55 Å²	55	17.2 Å²	17.2	29%	0.294	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	137	-177.3	-68.7	-2.5	0	0	0	110.9	R335 W361 D379 E380	R335-N359 PolarHBondContact NH2-O 3.12Å; N359-W361 VanDerWaalsContact C-N 3.31Å; N359-W361 PolarHBondContact O-N 3.21Å; N359-D379 PolarHBondContact ND2-OD1 2.96Å; N359-D379 WeakPolarHBondContact OD1-CA 3.34Å; N359-E380 HydrophobicContact CB-CG 4.4Å; N359-E380 PolarHBondContact N-OE1 3.18Å; N359-E380 PolarHBondContact OD1-N 3.03Å; N359-E380 VanDerWaalsContact OD1-N 3.11Å
360	G	91.9	Very high	95.1	Very high	34 Å²	34	18.7 Å²	18.7	35%	0.351	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	9.6	178.5	0	0	0	0	0	115.1	S219 T220	S219-G360 CarbonylContact C-O 3.5Å; S219-G360 VanDerWaalsContact CA-O 3.29Å; S219-G360 WeakPolarHBondContact CA-O 3.46Å; T220-G360 PolarHBondContact N-O 3.39Å; T220-G360 PolarHBondContact OG1-O 3.41Å
361	W	94.5	Very high	95.3	Very high	19 Å²	19	19 Å²	19	7%	0.072	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-83.2	122.7	172.5	-174.9	18.2	0	0	0	111.3	L339 F344 M356 S358 N359 L363 P364	L339-W361 HydrophobicContact CB-CB 3.91Å; L339-W361 HydrophobicContact CB-CG 3.9Å; L339-W361 HydrophobicContact CD1-CB 4.45Å; F344-W361 HydrophobicContact CB-CH2 4.04Å; F344-W361 HydrophobicContact CD1-CH2 4.26Å; F344-W361 HydrophobicContact CD2-CH2 4.04Å; F344-W361 HydrophobicContact CD2-CZ3 4.36Å; F344-W361 AromaticContact CG-CH2 3.85Å; F344-W361 HydrophobicContact CG-CH2 3.85Å; M356-W361 HydrophobicContact CE-CE3 3.62Å; M356-W361 HydrophobicContact CE-CH2 4.04Å; M356-W361 HydrophobicContact CE-CZ3 3.12Å; S358-W361 PolarHBondContact O-N 2.88Å; N359-W361 VanDerWaalsContact C-N 3.31Å; N359-W361 PolarHBondContact O-N 3.21Å; W361-L363 HydrophobicContact CD2-CD2 3.86Å; W361-L363 HydrophobicContact CE3-CD2 3.61Å; W361-L363 HydrophobicContact CH2-CD2 4.17Å; W361-L363 HydrophobicContact CZ2-CD2 4.39Å; W361-L363 HydrophobicContact CZ3-CD2 3.83Å; W361-L363 PolarHBondContact O-N 2.99Å; W361-P364 HydrophobicContact CZ2-CG 3.96Å
362	E	96.3	Very high	95.5	Very high	41 Å²	41	24.3 Å²	24.3	19%	0.192	14%	0.135	C	C	.	.			trans	-73.8	108.9	166.1	-174.2	65.2	-159.3	0	0	109.5	I218 T220 F223 S230 S366	I218-E362 HydrophobicContact CG2-CB 3.94Å; I218-E362 PolarHBondContact O-N 3.48Å; I218-E362 VanDerWaalsContact O-N 3.11Å; T220-E362 HydrophobicContact CG2-CB 4.26Å; F223-E362 HydrophobicContact CB-CB 4.47Å; F223-E362 HydrophobicContact CD1-CB 4.46Å; F223-E362 HydrophobicContact CD1-CG 3.71Å; F223-E362 HydrophobicContact CD2-CG 4.12Å; F223-E362 HydrophobicContact CE1-CG 3.8Å; F223-E362 HydrophobicContact CE2-CG 4.21Å; F223-E362 HydrophobicContact CG-CB 4.29Å; F223-E362 HydrophobicContact CG-CG 3.88Å; F223-E362 HydrophobicContact CZ-CG 4.07Å; S230-E362 PolarHBondContact OG-O 3.29Å; E362-S366 WeakPolarHBondContact OE1-CB 3.45Å
363	L	97.2	Very high	95.7	Very high	15 Å²	15	26.1 Å²	26.1	8%	0.079	15%	0.147	C	C	.	.			trans	-65.5	153.8	-175.9	-60.5	174.9	0	0	0	111.3	S230 M356 W361 F365 S366 W371 I377	S230-L363 WeakPolarHBondContact CB-O 3.34Å; S230-L363 PolarHBondContact OG-O 2.77Å; M356-L363 HydrophobicContact CE-CD2 3.53Å; M356-L363 HydrophobicContact CG-CD2 4.49Å; W361-L363 HydrophobicContact CD2-CD2 3.86Å; W361-L363 HydrophobicContact CE3-CD2 3.61Å; W361-L363 HydrophobicContact CH2-CD2 4.17Å; W361-L363 HydrophobicContact CZ2-CD2 4.39Å; W361-L363 HydrophobicContact CZ3-CD2 3.83Å; W361-L363 PolarHBondContact O-N 2.99Å; L363-F365 PolarHBondContact O-N 2.95Å; L363-S366 VanDerWaalsContact C-OG 3.23Å; L363-S366 WeakPolarHBondContact CA-OG 3.48Å; L363-S366 VanDerWaalsContact CB-OG 3.27Å; L363-S366 WeakPolarHBondContact CB-OG 3.43Å; L363-S366 PolarHBondContact N-OG 3.19Å; L363-S366 PolarHBondContact O-N 3.32Å; L363-S366 PolarHBondContact O-OG 2.82Å; L363-W371 HydrophobicContact CB-CD2 4.39Å; L363-W371 HydrophobicContact CB-CG 4.14Å; L363-W371 HydrophobicContact CD1-CB 3.75Å; L363-W371 HydrophobicContact CD1-CD2 4.01Å; L363-W371 HydrophobicContact CD1-CG 3.49Å; L363-W371 VanDerWaalsContact CD1-CG 3.49Å; L363-W371 HydrophobicContact CG-CG 4.47Å; L363-I377 HydrophobicContact CD1-CD1 4.3Å
364	P	97.9	Very high	95.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	129.3	-178.4	-29.5	40.1	0	0	0	112.1	S230 P232 F344 W361 S366 W371 F413	S230-P364 CarbonylContact O-C 3.6Å; S230-P364 WeakPolarHBondContact O-CA 3.1Å; P232-P364 HydrophobicContact CB-CB 4.12Å; P232-P364 HydrophobicContact CB-CG 3.87Å; F344-P364 HydrophobicContact CD1-CG 4.24Å; F344-P364 HydrophobicContact CE1-CB 4.27Å; F344-P364 HydrophobicContact CE1-CG 3.59Å; F344-P364 HydrophobicContact CZ-CG 4.05Å; W361-P364 HydrophobicContact CZ2-CG 3.96Å; P364-S366 PolarHBondContact O-N 3.08Å; P364-W371 WeakPolarHBondContact O-CZ2 3.45Å; P364-W371 PolarHBondContact O-NE1 3.13Å; P364-F413 HydrophobicContact CB-CE1 4Å; P364-F413 HydrophobicContact CB-CZ 4.14Å
365	F	98.3	Very high	95.7	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.013	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	31.6	179.7	-48.2	-49.1	0	0	0	114.8	V229 S230 I231 L363 E367 I368 I369 F413 I419 T422 I426	V229-F365 HydrophobicContact CG1-CD1 3.78Å; V229-F365 HydrophobicContact CG1-CE1 3.77Å; S230-F365 WeakPolarHBondContact O-CD1 3.3Å; S230-F365 PolarHBondContact O-N 2.93Å; I231-F365 HydrophobicContact CG2-CE1 3.84Å; I231-F365 HydrophobicContact CG2-CZ 4.25Å; L363-F365 PolarHBondContact O-N 2.95Å; F365-E367 PolarHBondContact O-N 3.39Å; F365-I368 HydrophobicContact CB-CD1 3.98Å; F365-I368 HydrophobicContact CB-CG1 3.97Å; F365-I368 PolarHBondContact O-N 2.9Å; F365-I369 HydrophobicContact CB-CD1 3.82Å; F365-I369 HydrophobicContact CB-CG1 4Å; F365-I369 HydrophobicContact CD2-CD1 4.19Å; F365-I369 PolarHBondContact O-N 2.96Å; F365-F413 AromaticContact CD2-CE1 3.49Å; F365-F413 HydrophobicContact CD2-CE1 3.49Å; F365-F413 VanDerWaalsContact CD2-CE1 3.49Å; F365-F413 AromaticContact CD2-CZ 3.71Å; F365-F413 HydrophobicContact CD2-CZ 3.71Å; F365-F413 HydrophobicContact CE2-CD1 4.19Å; F365-F413 AromaticContact CE2-CE1 3.49Å; F365-F413 HydrophobicContact CE2-CE1 3.49Å; F365-F413 VanDerWaalsContact CE2-CE1 3.49Å; F365-F413 HydrophobicContact CE2-CZ 4.17Å; F365-I419 HydrophobicContact CZ-CG2 4.06Å; F365-I419 WeakPolarHBondContact CZ-O 3.47Å; F365-T422 HydrophobicContact CD1-CG2 4.15Å; F365-T422 HydrophobicContact CD2-CG2 3.78Å; F365-T422 HydrophobicContact CE1-CG2 4.04Å; F365-T422 HydrophobicContact CE2-CG2 3.68Å; F365-T422 HydrophobicContact CG-CG2 4.02Å; F365-T422 HydrophobicContact CZ-CG2 3.82Å; F365-I426 HydrophobicContact CB-CD1 4.17Å; F365-I426 HydrophobicContact CD1-CD1 3.44Å; F365-I426 VanDerWaalsContact CD1-CD1 3.44Å; F365-I426 HydrophobicContact CE1-CD1 4.07Å; F365-I426 HydrophobicContact CG-CD1 4.05Å
366	S	95.9	Very high	95.6	Very high	37 Å²	37	27.5 Å²	27.5	26%	0.259	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.7	-177.9	-64.4	0	0	0	0	115	E362 L363 P364 I368	E362-S366 WeakPolarHBondContact OE1-CB 3.45Å; L363-S366 VanDerWaalsContact C-OG 3.23Å; L363-S366 WeakPolarHBondContact CA-OG 3.48Å; L363-S366 VanDerWaalsContact CB-OG 3.27Å; L363-S366 WeakPolarHBondContact CB-OG 3.43Å; L363-S366 PolarHBondContact N-OG 3.19Å; L363-S366 PolarHBondContact O-N 3.32Å; L363-S366 PolarHBondContact O-OG 2.82Å; P364-S366 PolarHBondContact O-N 3.08Å; S366-I368 VanDerWaalsContact C-N 3.26Å; S366-I368 PolarHBondContact O-N 2.89Å
367	E	94.9	Very high	95.6	Very high	80 Å²	80	32 Å²	32	37%	0.374	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.8	173.6	-177.7	175.6	138.1	0	0	112.6	Q226 F365 R430	Q226-E367 WeakPolarHBondContact CA-OE2 3.4Å; F365-E367 PolarHBondContact O-N 3.39Å; E367-R430 IonicContact OE1-CZ 3Å; E367-R430 IonicContact OE1-NE 2.72Å; E367-R430 PolarHBondContact OE1-NE 3.24Å; E367-R430 VanDerWaalsContact OE1-NE 3.1Å; E367-R430 IonicContact OE1-NH2 3.71Å; E367-R430 IonicContact OE2-CZ 2.67Å; E367-R430 IonicContact OE2-NE 2.72Å; E367-R430 PolarHBondContact OE2-NE 2.77Å; E367-R430 IonicContact OE2-NH2 3.01Å; E367-R430 PolarHBondContact OE2-NH2 2.96Å
368	I	96.3	Very high	95.5	Very high	15 Å²	15	32.6 Å²	32.6	8%	0.077	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-21.1	-175.2	62.5	89.5	0	0	0	113.2	F365 S366 I426 W442 N443	F365-I368 HydrophobicContact CB-CD1 3.98Å; F365-I368 HydrophobicContact CB-CG1 3.97Å; F365-I368 PolarHBondContact O-N 2.9Å; S366-I368 VanDerWaalsContact C-N 3.26Å; S366-I368 PolarHBondContact O-N 2.89Å; I368-I426 HydrophobicContact CG1-CD1 3.84Å; I368-I426 HydrophobicContact CG1-CG1 4.01Å; I368-I426 HydrophobicContact CG2-CG1 4.13Å; I368-W442 HydrophobicContact CB-CB 4.16Å; I368-W442 HydrophobicContact CB-CD2 3.92Å; I368-W442 HydrophobicContact CB-CG 3.71Å; I368-W442 HydrophobicContact CD1-CB 4.13Å; I368-W442 HydrophobicContact CD1-CD2 3.8Å; I368-W442 HydrophobicContact CD1-CE3 3.57Å; I368-W442 HydrophobicContact CD1-CG 4.07Å; I368-W442 HydrophobicContact CD1-CZ3 4.18Å; I368-W442 HydrophobicContact CG1-CD2 4.13Å; I368-W442 HydrophobicContact CG1-CE3 4.28Å; I368-W442 HydrophobicContact CG1-CG 4.36Å; I368-W442 HydrophobicContact CG2-CD2 4.33Å; I368-W442 HydrophobicContact CG2-CG 4.29Å; I368-W442 WeakPolarHBondContact O-CB 3.5Å; I368-N443 PolarHBondContact O-ND2 2.97Å
369	I	97.4	Very high	95.5	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	19%	0.191	C	C	.	.			trans	-98.8	124.7	177.9	-59.3	-176.7	0	0	0	110.5	F365 W371 L408 Y412 F413	F365-I369 HydrophobicContact CB-CD1 3.82Å; F365-I369 HydrophobicContact CB-CG1 4Å; F365-I369 HydrophobicContact CD2-CD1 4.19Å; F365-I369 PolarHBondContact O-N 2.96Å; I369-W371 HydrophobicContact CB-CZ2 4.42Å; I369-W371 HydrophobicContact CD1-CH2 4.47Å; I369-W371 HydrophobicContact CD1-CZ2 3.86Å; I369-W371 HydrophobicContact CG2-CD2 3.88Å; I369-W371 HydrophobicContact CG2-CE3 4.37Å; I369-W371 HydrophobicContact CG2-CG 4.19Å; I369-W371 HydrophobicContact CG2-CH2 4.35Å; I369-W371 HydrophobicContact CG2-CZ2 3.9Å; I369-W371 PolarHBondContact O-N 3.47Å; I369-W371 VanDerWaalsContact O-N 3.17Å; I369-L408 HydrophobicContact CD1-CD2 4.1Å; I369-L408 HydrophobicContact CG1-CD2 4.25Å; I369-L408 HydrophobicContact CG2-CD1 3.63Å; I369-L408 HydrophobicContact CG2-CD2 3.98Å; I369-L408 HydrophobicContact CG2-CG 4.47Å; I369-Y412 HydrophobicContact CD1-CD2 4.21Å; I369-F413 HydrophobicContact CD1-CE2 3.8Å; I369-F413 HydrophobicContact CD1-CZ 3.6Å
370	D	95.4	Very high	95.4	Very high	66 Å²	66	32.8 Å²	32.8	35%	0.353	18%	0.184	S	C	.	.			trans	-82.8	90.9	169.1	-177.4	4.6	0	0	0	110.7	N372 T373 N443	D370-N372 PolarHBondContact O-N 2.77Å; D370-N372 VanDerWaalsContact O-N 3.11Å; D370-N372 WeakPolarHBondContact OD1-CB 3.32Å; D370-N372 PolarHBondContact OD1-N 2.87Å; D370-N372 VanDerWaalsContact OD1-N 3.13Å; D370-N372 PolarHBondContact OD1-ND2 3.11Å; D370-T373 HydrophobicContact CB-CG2 4.28Å; D370-T373 PolarHBondContact O-N 3.22Å; D370-T373 PolarHBondContact O-OG1 3.16Å; D370-T373 WeakPolarHBondContact OD2-CG2 3.3Å; D370-N443 PolarHBondContact N-OD1 3.29Å; D370-N443 VanDerWaalsContact N-OD1 3.08Å
371	W	96.4	Very high	95.4	Very high	9 Å²	9	41 Å²	41	3%	0.034	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-61.3	-19	-178.6	-76	109	0	0	0	114.4	F344 L348 L363 P364 I369 T373 A374 A375 L408 F413	F344-W371 HydrophobicContact CE1-CH2 4.09Å; F344-W371 HydrophobicContact CE1-CZ2 4.35Å; F344-W371 HydrophobicContact CE2-CH2 4Å; F344-W371 HydrophobicContact CE2-CZ2 4.45Å; F344-W371 HydrophobicContact CE2-CZ3 4Å; F344-W371 HydrophobicContact CZ-CE3 4.44Å; F344-W371 AromaticContact CZ-CH2 3.25Å; F344-W371 HydrophobicContact CZ-CH2 3.25Å; F344-W371 AromaticContact CZ-CZ2 3.54Å; F344-W371 HydrophobicContact CZ-CZ2 3.54Å; F344-W371 AromaticContact CZ-CZ3 3.73Å; F344-W371 HydrophobicContact CZ-CZ3 3.73Å; L348-W371 HydrophobicContact CD1-CH2 4.16Å; L348-W371 HydrophobicContact CD2-CZ3 4.21Å; L363-W371 HydrophobicContact CB-CD2 4.39Å; L363-W371 HydrophobicContact CB-CG 4.14Å; L363-W371 HydrophobicContact CD1-CB 3.75Å; L363-W371 HydrophobicContact CD1-CD2 4.01Å; L363-W371 HydrophobicContact CD1-CG 3.49Å; L363-W371 VanDerWaalsContact CD1-CG 3.49Å; L363-W371 HydrophobicContact CG-CG 4.47Å; P364-W371 WeakPolarHBondContact O-CZ2 3.45Å; P364-W371 PolarHBondContact O-NE1 3.13Å; I369-W371 HydrophobicContact CB-CZ2 4.42Å; I369-W371 HydrophobicContact CD1-CH2 4.47Å; I369-W371 HydrophobicContact CD1-CZ2 3.86Å; I369-W371 HydrophobicContact CG2-CD2 3.88Å; I369-W371 HydrophobicContact CG2-CE3 4.37Å; I369-W371 HydrophobicContact CG2-CG 4.19Å; I369-W371 HydrophobicContact CG2-CH2 4.35Å; I369-W371 HydrophobicContact CG2-CZ2 3.9Å; I369-W371 PolarHBondContact O-N 3.47Å; I369-W371 VanDerWaalsContact O-N 3.17Å; W371-T373 PolarHBondContact O-N 3.15Å; W371-A374 HydrophobicContact CE3-CB 4.15Å; W371-A374 HydrophobicContact CZ3-CB 4.22Å; W371-A374 PolarHBondContact O-N 2.53Å; W371-A374 VanDerWaalsContact O-N 3.14Å; W371-A375 HydrophobicContact CE3-CB 4.21Å; W371-A375 PolarHBondContact O-N 2.75Å; W371-L408 HydrophobicContact CE3-CD1 4.49Å; W371-L408 HydrophobicContact CH2-CD1 4.05Å; W371-L408 HydrophobicContact CZ3-CD1 3.92Å; W371-F413 AromaticContact CH2-CE2 3.77Å; W371-F413 HydrophobicContact CH2-CE2 3.77Å; W371-F413 HydrophobicContact CH2-CZ 4.08Å; W371-F413 HydrophobicContact CZ2-CE2 4.07Å; W371-F413 AromaticContact CZ2-CZ 3.93Å; W371-F413 HydrophobicContact CZ2-CZ 3.93Å
372	N	95.3	Very high	95.3	Very high	110 Å²	110	43.7 Å²	43.7	59%	0.588	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-67.9	-15	175.1	-56.1	-63.1	0	0	0	113.1	D370	D370-N372 PolarHBondContact O-N 2.77Å; D370-N372 VanDerWaalsContact O-N 3.11Å; D370-N372 WeakPolarHBondContact OD1-CB 3.32Å; D370-N372 PolarHBondContact OD1-N 2.87Å; D370-N372 VanDerWaalsContact OD1-N 3.13Å; D370-N372 PolarHBondContact OD1-ND2 3.11Å
373	T	95.8	Very high	95.1	Very high	39 Å²	39	42.3 Å²	42.3	24%	0.239	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-94.2	-8.8	177.5	66.5	0	0	0	0	113.3	D370 W371 L401 Q404	D370-T373 HydrophobicContact CB-CG2 4.28Å; D370-T373 PolarHBondContact O-N 3.22Å; D370-T373 PolarHBondContact O-OG1 3.16Å; D370-T373 WeakPolarHBondContact OD2-CG2 3.3Å; W371-T373 PolarHBondContact O-N 3.15Å; T373-L401 WeakPolarHBondContact O-CD2 3.33Å; T373-Q404 WeakPolarHBondContact O-CB 3.04Å; T373-Q404 WeakPolarHBondContact OG1-CG 3.26Å
374	A	96.6	Very high	94.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-22	-176.7	0	0	0	0	0	114.7	P354 W371 Q404 T405 L408	P354-A374 WeakPolarHBondContact CD-O 3.38Å; W371-A374 HydrophobicContact CE3-CB 4.15Å; W371-A374 HydrophobicContact CZ3-CB 4.22Å; W371-A374 PolarHBondContact O-N 2.53Å; W371-A374 VanDerWaalsContact O-N 3.14Å; A374-Q404 HydrophobicContact CB-CB 4.18Å; A374-Q404 HydrophobicContact CB-CG 3.87Å; A374-T405 PolarHBondContact O-OG1 3.23Å; A374-L408 HydrophobicContact CB-CD1 3.61Å
375	A	97.3	Very high	94.8	Very high	7 Å²	7	52.6 Å²	52.6	6%	0.058	27%	0.265	C	S	.	.			trans	-130.8	159.8	-173.5	0	0	0	0	0	112.4	P354 M356 W371	P354-A375 HydrophobicContact CG-CB 3.83Å; P354-A375 WeakPolarHBondContact O-CA 3.14Å; M356-A375 HydrophobicContact CG-CB 4.14Å; W371-A375 HydrophobicContact CE3-CB 4.21Å; W371-A375 PolarHBondContact O-N 2.75Å
376	V	97.1	Very high	94.6	Very high	21 Å²	21	52.9 Å²	52.9	13%	0.127	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117	166.1	178.8	0	0	0	0	107.3	F330 V353 P354 V355 M356 I393	F330-V376 HydrophobicContact CD1-CG2 4.37Å; F330-V376 HydrophobicContact CE1-CG2 4Å; V353-V376 HydrophobicContact CG1-CG2 4.16Å; P354-V376 PolarHBondContact O-N 3.37Å; V355-V376 CarbonylContact C-O 3.59Å; V355-V376 VanDerWaalsContact CA-O 3.3Å; V355-V376 WeakPolarHBondContact CA-O 3.37Å; V355-V376 HydrophobicContact CG1-CG1 4.46Å; V355-V376 HydrophobicContact CG2-CB 4.22Å; M356-V376 PolarHBondContact N-O 3.28Å; V376-I393 HydrophobicContact CG2-CD1 3.62Å
377	I	95.1	Very high	94.6	Very high	101 Å²	101	51.9 Å²	51.9	52%	0.518	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.7	-179	-55.8	174	0	0	0	108.5	M356 L363	M356-I377 HydrophobicContact CG-CG1 4.49Å; L363-I377 HydrophobicContact CD1-CD1 4.3Å
378	G	91.6	Very high	94.6	Very high	13 Å²	13	51.5 Å²	51.5	13%	0.134	27%	0.265	C	S	.	.			trans	-116.4	149.1	179.8	0	0	0	0	0	112.2	M356	M356-G378 WeakPolarHBondContact O-CA 3.3Å; M356-G378 PolarHBondContact O-N 3.47Å
379	D	92.3	Very high	94.6	Very high	40 Å²	40	53.5 Å²	53.5	21%	0.214	28%	0.278	C	S	.	.			trans	-80.6	131.9	170.6	-168	-49.2	0	0	0	109.9	L357 N359 R381 L382	L357-D379 WeakPolarHBondContact CD1-O 3.23Å; N359-D379 PolarHBondContact ND2-OD1 2.96Å; N359-D379 WeakPolarHBondContact OD1-CA 3.34Å; D379-R381 PolarHBondContact O-N 2.97Å; D379-R381 VanDerWaalsContact OD1-CB 3.32Å; D379-R381 WeakPolarHBondContact OD1-CB 3.38Å; D379-R381 WeakPolarHBondContact OD1-CG 3.42Å; D379-R381 IonicContact OD1-CZ 3.52Å; D379-R381 PolarHBondContact OD1-N 3.03Å; D379-R381 IonicContact OD1-NE 2.99Å; D379-R381 PolarHBondContact OD1-NE 3.21Å; D379-R381 IonicContact OD2-CZ 2.89Å; D379-R381 VanDerWaalsContact OD2-CZ 3.31Å; D379-R381 IonicContact OD2-NE 3.85Å; D379-R381 PolarHBondContact OD2-NE 2.02Å; D379-R381 VanDerWaalsContact OD2-NE 3.13Å; D379-R381 IonicContact OD2-NH2 3.41Å; D379-R381 PolarHBondContact OD2-NH2 3.02Å; D379-L382 HydrophobicContact CB-CD1 4.12Å; D379-L382 HydrophobicContact CB-CG 4.12Å; D379-L382 PolarHBondContact O-N 3.2Å
380	E	90.4	Very high	94.5	Very high	33 Å²	33	53.4 Å²	53.4	15%	0.154	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-50.6	-32.7	176.6	-69.2	-175.7	-142.4	0	0	113.2	T276 R335 L357 S358 N359 L382 L383	T276-E380 PolarHBondContact OG1-OE2 3.33Å; T276-E380 VanDerWaalsContact OG1-OE2 3.13Å; R335-E380 IonicContact CZ-OE1 3.62Å; R335-E380 VanDerWaalsContact CZ-OE1 3.23Å; R335-E380 IonicContact NE-OE1 2.82Å; R335-E380 PolarHBondContact NE-OE1 2.56Å; R335-E380 IonicContact NE-OE2 3.5Å; R335-E380 IonicContact NH2-OE1 3.53Å; R335-E380 PolarHBondContact NH2-OE1 2.97Å; L357-E380 HydrophobicContact CG-CG 4.09Å; S358-E380 VanDerWaalsContact CA-OE1 3.23Å; S358-E380 WeakPolarHBondContact CA-OE1 3.2Å; N359-E380 HydrophobicContact CB-CG 4.4Å; N359-E380 PolarHBondContact N-OE1 3.18Å; N359-E380 PolarHBondContact OD1-N 3.03Å; N359-E380 VanDerWaalsContact OD1-N 3.11Å; E380-L382 PolarHBondContact O-N 3.04Å; E380-L383 PolarHBondContact O-N 3.33Å
381	R	91.1	Very high	94.5	Very high	206 Å²	206	56.4 Å²	56.4	78%	0.777	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-68.4	-20.3	178.5	-61.3	174.4	-68.7	176.7	0.8	113.6	D379	D379-R381 PolarHBondContact O-N 2.97Å; D379-R381 VanDerWaalsContact OD1-CB 3.32Å; D379-R381 WeakPolarHBondContact OD1-CB 3.38Å; D379-R381 WeakPolarHBondContact OD1-CG 3.42Å; D379-R381 IonicContact OD1-CZ 3.52Å; D379-R381 PolarHBondContact OD1-N 3.03Å; D379-R381 IonicContact OD1-NE 2.99Å; D379-R381 PolarHBondContact OD1-NE 3.21Å; D379-R381 IonicContact OD2-CZ 2.89Å; D379-R381 VanDerWaalsContact OD2-CZ 3.31Å; D379-R381 IonicContact OD2-NE 3.85Å; D379-R381 PolarHBondContact OD2-NE 2.02Å; D379-R381 VanDerWaalsContact OD2-NE 3.13Å; D379-R381 IonicContact OD2-NH2 3.41Å; D379-R381 PolarHBondContact OD2-NH2 3.02Å
382	L	92.3	Very high	94.4	Very high	77 Å²	77	60.4 Å²	60.4	40%	0.403	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-101.7	18.9	-175.8	-58.6	179.8	0	0	0	112.7	D379 E380 L384 Q385 I386	D379-L382 HydrophobicContact CB-CD1 4.12Å; D379-L382 HydrophobicContact CB-CG 4.12Å; D379-L382 PolarHBondContact O-N 3.2Å; E380-L382 PolarHBondContact O-N 3.04Å; L382-L384 PolarHBondContact O-N 3.48Å; L382-L384 VanDerWaalsContact O-N 3.09Å; L382-Q385 WeakPolarHBondContact O-CB 3.22Å; L382-Q385 PolarHBondContact O-N 2.91Å; L382-I386 PolarHBondContact O-N 2.96Å
383	L	92.2	Very high	94.4	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.058	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-46.7	-43.6	-178	172.7	62.3	0	0	0	113.5	A279 L280 V283 L357 E380 Q385 I386	A279-L383 HydrophobicContact CB-CD2 3.52Å; L280-L383 HydrophobicContact CD2-CD1 3.71Å; L280-L383 HydrophobicContact CD2-CD2 4.17Å; V283-L383 HydrophobicContact CG2-CD1 4.36Å; V283-L383 HydrophobicContact CG2-CG 4.07Å; L357-L383 HydrophobicContact CD2-CB 4.39Å; L357-L383 HydrophobicContact CD2-CD1 3.64Å; E380-L383 PolarHBondContact O-N 3.33Å; L383-Q385 PolarHBondContact O-N 3.49Å; L383-I386 WeakPolarHBondContact O-CB 3.44Å; L383-I386 WeakPolarHBondContact O-CG1 3.18Å; L383-I386 PolarHBondContact O-N 3.27Å
384	L	93.6	Very high	94.3	Very high	125 Å²	125	61.3 Å²	61.3	65%	0.654	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-67.7	-21.7	-178.5	-61.1	-179.1	0	0	0	113.6	H282 V283 L382	H282-L384 HydrophobicContact CB-CD2 4.01Å; V283-L384 HydrophobicContact CG2-CD2 3.72Å; L382-L384 PolarHBondContact O-N 3.48Å; L382-L384 VanDerWaalsContact O-N 3.09Å
385	Q	94.8	Very high	94	Very high	107 Å²	107	65.3 Å²	65.3	50%	0.5	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-89.2	-13.6	179.6	-59.2	-179.7	16.2	0	0	112.7	L382 L383 P387 S388 T389	L382-Q385 WeakPolarHBondContact O-CB 3.22Å; L382-Q385 PolarHBondContact O-N 2.91Å; L383-Q385 PolarHBondContact O-N 3.49Å; Q385-P387 VanDerWaalsContact C-CD 3.5Å; Q385-S388 PolarHBondContact O-N 2.82Å; Q385-S388 VanDerWaalsContact O-N 3.14Å; Q385-S388 PolarHBondContact O-OG 2.78Å; Q385-T389 PolarHBondContact O-N 3.08Å; Q385-T389 PolarHBondContact O-OG1 3.23Å; Q385-T389 VanDerWaalsContact O-OG1 3.08Å
386	I	95	Very high	93.7	Very high	8 Å²	8	70 Å²	70	4%	0.041	36%	0.355	C	S	.	.	H	α-helix	trans	-53.4	-44.8	-177.4	-63.7	-64.2	0	0	0	112.8	L261 L332 V355 L357 L382 L383 S388 T389 V390	L261-I386 HydrophobicContact CD2-CG2 3.76Å; L332-I386 HydrophobicContact CD1-CG2 4.4Å; V355-I386 HydrophobicContact CG1-CD1 4.29Å; V355-I386 HydrophobicContact CG1-CG2 3.96Å; L357-I386 HydrophobicContact CD1-CD1 4.33Å; L382-I386 PolarHBondContact O-N 2.96Å; L383-I386 WeakPolarHBondContact O-CB 3.44Å; L383-I386 WeakPolarHBondContact O-CG1 3.18Å; L383-I386 PolarHBondContact O-N 3.27Å; I386-S388 PolarHBondContact O-N 3.48Å; I386-T389 PolarHBondContact O-N 2.67Å; I386-V390 HydrophobicContact CG2-CG1 4.18Å; I386-V390 WeakPolarHBondContact O-CG2 3.29Å; I386-V390 PolarHBondContact O-N 3.3Å
387	P	95.1	Very high	93.6	Very high	16 Å²	16	73.2 Å²	73.2	10%	0.104	37%	0.367	C	S	.	.	H	α-helix	trans	-59.1	-42.6	178.2	-24.6	34.2	0	0	0	113.8	V283 Q385 V390 R391	V283-P387 HydrophobicContact CG1-CG 3.35Å; Q385-P387 VanDerWaalsContact C-CD 3.5Å; P387-V390 WeakPolarHBondContact O-CG2 3.47Å; P387-R391 WeakPolarHBondContact O-CB 3.39Å; P387-R391 VanDerWaalsContact O-CG 3.23Å; P387-R391 WeakPolarHBondContact O-CG 3.37Å; P387-R391 PolarHBondContact O-N 2.96Å
388	S	95.4	Very high	93.5	Very high	73 Å²	73	68.8 Å²	68.8	51%	0.51	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-41.3	176	38.1	0	0	0	0	111.6	Q385 I386 R391 S392	Q385-S388 PolarHBondContact O-N 2.82Å; Q385-S388 VanDerWaalsContact O-N 3.14Å; Q385-S388 PolarHBondContact O-OG 2.78Å; I386-S388 PolarHBondContact O-N 3.48Å; S388-R391 PolarHBondContact O-N 3.32Å; S388-S392 PolarHBondContact O-N 3.37Å; S388-S392 VanDerWaalsContact O-N 3.11Å
389	T	95.7	Very high	93.5	Very high	57 Å²	57	70 Å²	70	35%	0.35	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-51.5	178.6	-56.7	0	0	0	0	111.1	Q385 I386 R391 S392	Q385-T389 PolarHBondContact O-N 3.08Å; Q385-T389 PolarHBondContact O-OG1 3.23Å; Q385-T389 VanDerWaalsContact O-OG1 3.08Å; I386-T389 PolarHBondContact O-N 2.67Å; T389-R391 VanDerWaalsContact C-N 3.33Å; T389-R391 PolarHBondContact O-N 3Å; T389-S392 PolarHBondContact O-N 3.33Å; T389-S392 VanDerWaalsContact O-N 3.13Å; T389-S392 PolarHBondContact O-OG 2.78Å
390	V	95.5	Very high	93.5	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.012	36%	0.355	C	S	.	.	H	α-helix	trans	-67.4	-32.7	-177.6	-60.4	0	0	0	0	112.7	V260 L261 F330 V355 I386 P387 S392 I393	V260-V390 HydrophobicContact CG1-CG2 3.84Å; L261-V390 HydrophobicContact CB-CG2 4.49Å; F330-V390 HydrophobicContact CB-CG1 4.44Å; F330-V390 HydrophobicContact CD1-CB 4.4Å; F330-V390 HydrophobicContact CD1-CG1 4.16Å; F330-V390 HydrophobicContact CD2-CB 3.74Å; F330-V390 HydrophobicContact CD2-CG1 4.28Å; F330-V390 HydrophobicContact CD2-CG2 4.31Å; F330-V390 HydrophobicContact CE1-CB 4.5Å; F330-V390 HydrophobicContact CE2-CB 3.85Å; F330-V390 HydrophobicContact CG-CB 4.03Å; F330-V390 HydrophobicContact CG-CG1 4.04Å; F330-V390 HydrophobicContact CZ-CB 4.23Å; V355-V390 HydrophobicContact CG2-CG1 3.91Å; I386-V390 HydrophobicContact CG2-CG1 4.18Å; I386-V390 WeakPolarHBondContact O-CG2 3.29Å; I386-V390 PolarHBondContact O-N 3.3Å; P387-V390 WeakPolarHBondContact O-CG2 3.47Å; V390-S392 VanDerWaalsContact C-N 3.28Å; V390-S392 PolarHBondContact O-N 3.05Å; V390-I393 PolarHBondContact O-N 3.09Å
391	R	95.1	Very high	93.7	Very high	129 Å²	129	69.2 Å²	69.2	49%	0.487	35%	0.349	S	S	.	.	H	α-helix	trans	-69.5	-24.2	174.6	-74.5	179.2	-178.5	139.2	-1.1	113.2	V260 D288 P387 S388 T389 I393	V260-R391 HydrophobicContact CG1-CG 4.17Å; D288-R391 VanDerWaalsContact CG-NH2 3.28Å; D288-R391 IonicContact OD1-NH2 3.79Å; D288-R391 PolarHBondContact OD1-NH2 3.26Å; D288-R391 IonicContact OD2-CZ 3.67Å; D288-R391 IonicContact OD2-NE 3.32Å; D288-R391 PolarHBondContact OD2-NE 3.23Å; D288-R391 IonicContact OD2-NH2 2.68Å; D288-R391 PolarHBondContact OD2-NH2 3.06Å; P387-R391 WeakPolarHBondContact O-CB 3.39Å; P387-R391 VanDerWaalsContact O-CG 3.23Å; P387-R391 WeakPolarHBondContact O-CG 3.37Å; P387-R391 PolarHBondContact O-N 2.96Å; S388-R391 PolarHBondContact O-N 3.32Å; T389-R391 VanDerWaalsContact C-N 3.33Å; T389-R391 PolarHBondContact O-N 3Å; R391-I393 VanDerWaalsContact C-N 3.29Å
392	S	96.1	Very high	93.7	Very high	94 Å²	94	59.5 Å²	59.5	66%	0.657	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.6	177.1	76.4	0	0	0	0	113.8	S388 T389 V390 H394	S388-S392 PolarHBondContact O-N 3.37Å; S388-S392 VanDerWaalsContact O-N 3.11Å; T389-S392 PolarHBondContact O-N 3.33Å; T389-S392 VanDerWaalsContact O-N 3.13Å; T389-S392 PolarHBondContact O-OG 2.78Å; V390-S392 VanDerWaalsContact C-N 3.28Å; V390-S392 PolarHBondContact O-N 3.05Å; S392-H394 PolarHBondContact O-N 3.13Å
393	I	95.4	Very high	93.7	Very high	34 Å²	34	61 Å²	61	17%	0.174	32%	0.317	C	S	.	.	S	Bend	trans	-78.5	122.1	-177.9	-56.4	175.6	0	0	0	109.1	F330 V376 V390 R391 K397 I398 L401	F330-I393 HydrophobicContact CE1-CD1 3.79Å; F330-I393 HydrophobicContact CZ-CB 4.17Å; F330-I393 HydrophobicContact CZ-CD1 3.77Å; F330-I393 HydrophobicContact CZ-CG1 4.47Å; F330-I393 HydrophobicContact CZ-CG2 4.45Å; V376-I393 HydrophobicContact CG2-CD1 3.62Å; V390-I393 PolarHBondContact O-N 3.09Å; R391-I393 VanDerWaalsContact C-N 3.29Å; I393-K397 HydrophobicContact CG2-CB 3.95Å; I393-K397 HydrophobicContact CG2-CG 3.84Å; I393-I398 HydrophobicContact CB-CG1 4.38Å; I393-I398 HydrophobicContact CG2-CG1 3.83Å; I393-I398 WeakPolarHBondContact O-CD1 3.29Å; I393-L401 HydrophobicContact CG2-CD1 4.46Å
394	H	93.5	Very high	93.9	Very high	134 Å²	134	61.9 Å²	61.9	62%	0.62	32%	0.321	S	S	*	.			trans	-71	156.2	-178.3	-166.8	-97.9	0	0	0	112.6	S392 D396 K397 I398	S392-H394 PolarHBondContact O-N 3.13Å; H394-D396 VanDerWaalsContact C-N 3.33Å; H394-D396 WeakPolarHBondContact CB-OD1 3.44Å; H394-D396 IonicContact CE1-OD1 3.46Å; H394-D396 IonicContact CG-OD1 3.14Å; H394-D396 IonicContact ND1-OD1 2.78Å; H394-D396 PolarHBondContact ND1-OD1 2.93Å; H394-D396 PolarHBondContact O-N 3.26Å; H394-K397 PolarHBondContact O-N 3.42Å; H394-K397 VanDerWaalsContact O-N 3.16Å; H394-I398 WeakPolarHBondContact O-CG1 3.06Å; H394-I398 PolarHBondContact O-N 3.46Å
395	Q	89.9	Confident	93.9	Very high	84 Å²	84	56 Å²	56	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-66.2	-31.6	-168.4	-165.5	64.1	10.1	0	0	114.1	P254 I398 L399	P254-Q395 HydrophobicContact CG-CG 3.63Å; Q395-I398 PolarHBondContact O-N 2.67Å; Q395-L399 PolarHBondContact O-N 2.94Å
396	D	91.3	Very high	93.8	Very high	105 Å²	105	51.5 Å²	51.5	56%	0.561	27%	0.269	S	S	*	.	H	α-helix	trans	-64.9	-42.8	174.3	64.6	-28.3	0	0	0	111.6	H394 L399 S400	H394-D396 VanDerWaalsContact C-N 3.33Å; H394-D396 WeakPolarHBondContact CB-OD1 3.44Å; H394-D396 IonicContact CE1-OD1 3.46Å; H394-D396 IonicContact CG-OD1 3.14Å; H394-D396 IonicContact ND1-OD1 2.78Å; H394-D396 PolarHBondContact ND1-OD1 2.93Å; H394-D396 PolarHBondContact O-N 3.26Å; D396-L399 PolarHBondContact O-N 3.13Å; D396-S400 PolarHBondContact O-N 3.3Å
397	K	94	Very high	93.8	Very high	89 Å²	89	51.9 Å²	51.9	39%	0.387	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-39.5	174.6	-176.5	60	177.8	175.2	0	111	I393 H394 L399 S400 L401	I393-K397 HydrophobicContact CG2-CB 3.95Å; I393-K397 HydrophobicContact CG2-CG 3.84Å; H394-K397 PolarHBondContact O-N 3.42Å; H394-K397 VanDerWaalsContact O-N 3.16Å; K397-L399 VanDerWaalsContact C-N 3.34Å; K397-L399 PolarHBondContact O-N 3.36Å; K397-S400 PolarHBondContact O-N 3.35Å; K397-L401 HydrophobicContact CD-CD1 4.42Å; K397-L401 HydrophobicContact CD-CG 4.31Å; K397-L401 HydrophobicContact CG-CD1 4Å; K397-L401 HydrophobicContact CG-CG 4.38Å; K397-L401 WeakPolarHBondContact O-CB 3.19Å; K397-L401 VanDerWaalsContact O-CG 3.22Å; K397-L401 WeakPolarHBondContact O-CG 3.2Å; K397-L401 PolarHBondContact O-N 3.38Å
398	I	93.3	Very high	93.8	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-45.9	173.1	-68.2	169.2	0	0	0	110.8	T329 F330 I393 H394 Q395 S400 L401 R402	T329-I398 HydrophobicContact CG2-CD1 4.15Å; T329-I398 HydrophobicContact CG2-CG2 3.73Å; F330-I398 HydrophobicContact CE2-CD1 4.02Å; F330-I398 HydrophobicContact CE2-CG1 4.31Å; F330-I398 HydrophobicContact CZ-CD1 3.98Å; F330-I398 HydrophobicContact CZ-CG1 3.78Å; I393-I398 HydrophobicContact CB-CG1 4.38Å; I393-I398 HydrophobicContact CG2-CG1 3.83Å; I393-I398 WeakPolarHBondContact O-CD1 3.29Å; H394-I398 WeakPolarHBondContact O-CG1 3.06Å; H394-I398 PolarHBondContact O-N 3.46Å; Q395-I398 PolarHBondContact O-N 2.67Å; I398-S400 PolarHBondContact O-N 2.65Å; I398-L401 PolarHBondContact O-N 2.82Å; I398-R402 WeakPolarHBondContact O-CB 2.93Å; I398-R402 VanDerWaalsContact O-CG 3.31Å; I398-R402 WeakPolarHBondContact O-CG 3.36Å; I398-R402 PolarHBondContact O-N 3.04Å
399	L	91.1	Very high	93.9	Very high	39 Å²	39	48 Å²	48	20%	0.204	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-45.5	177.4	179.3	62.1	0	0	0	111.3	I253 Q395 D396 K397 R402 Q403	I253-L399 HydrophobicContact CG2-CD2 4.01Å; Q395-L399 PolarHBondContact O-N 2.94Å; D396-L399 PolarHBondContact O-N 3.13Å; K397-L399 VanDerWaalsContact C-N 3.34Å; K397-L399 PolarHBondContact O-N 3.36Å; L399-R402 PolarHBondContact O-N 3.46Å; L399-Q403 HydrophobicContact CD1-CG 4.34Å; L399-Q403 WeakPolarHBondContact O-CG 3.38Å; L399-Q403 PolarHBondContact O-N 3.25Å
400	S	92.3	Very high	93.7	Very high	53 Å²	53	47.4 Å²	47.4	37%	0.371	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-47	176.7	173.6	0	0	0	0	112.3	D396 K397 I398 R402 Q403 Q404	D396-S400 PolarHBondContact O-N 3.3Å; K397-S400 PolarHBondContact O-N 3.35Å; I398-S400 PolarHBondContact O-N 2.65Å; S400-R402 VanDerWaalsContact C-N 3.31Å; S400-R402 PolarHBondContact O-N 2.89Å; S400-Q403 PolarHBondContact O-N 2.9Å; S400-Q404 PolarHBondContact O-N 3.27Å
401	L	94.9	Very high	93.7	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-41	177.3	-71.5	164.5	0	0	0	111.7	V353 T373 I393 K397 I398 T405	V353-L401 HydrophobicContact CG1-CB 4.06Å; V353-L401 HydrophobicContact CG1-CD1 4.05Å; V353-L401 HydrophobicContact CG1-CG 4.49Å; V353-L401 HydrophobicContact CG2-CB 3.78Å; T373-L401 WeakPolarHBondContact O-CD2 3.33Å; I393-L401 HydrophobicContact CG2-CD1 4.46Å; K397-L401 HydrophobicContact CD-CD1 4.42Å; K397-L401 HydrophobicContact CD-CG 4.31Å; K397-L401 HydrophobicContact CG-CD1 4Å; K397-L401 HydrophobicContact CG-CG 4.38Å; K397-L401 WeakPolarHBondContact O-CB 3.19Å; K397-L401 VanDerWaalsContact O-CG 3.22Å; K397-L401 WeakPolarHBondContact O-CG 3.2Å; K397-L401 PolarHBondContact O-N 3.38Å; I398-L401 PolarHBondContact O-N 2.82Å; L401-T405 VanDerWaalsContact O-CB 3.29Å; L401-T405 WeakPolarHBondContact O-CB 3.46Å; L401-T405 PolarHBondContact O-N 2.95Å; L401-T405 PolarHBondContact O-OG1 2.92Å
402	R	92.3	Very high	93.8	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-44.4	177	-75.4	179.1	164.7	164.9	-1.3	112.7	L248 T329 A351 V353 I398 L399 S400 Q404 T405 Q406	L248-R402 HydrophobicContact CD2-CB 4.47Å; T329-R402 VanDerWaalsContact CA-NH2 3.28Å; T329-R402 PolarHBondContact OG1-NH2 3.2Å; A351-R402 WeakPolarHBondContact O-CG 3.24Å; A351-R402 PolarHBondContact O-NE 3.25Å; V353-R402 HydrophobicContact CG2-CG 3.7Å; I398-R402 WeakPolarHBondContact O-CB 2.93Å; I398-R402 VanDerWaalsContact O-CG 3.31Å; I398-R402 WeakPolarHBondContact O-CG 3.36Å; I398-R402 PolarHBondContact O-N 3.04Å; L399-R402 PolarHBondContact O-N 3.46Å; S400-R402 VanDerWaalsContact C-N 3.31Å; S400-R402 PolarHBondContact O-N 2.89Å; R402-Q404 VanDerWaalsContact C-N 3.3Å; R402-Q404 PolarHBondContact O-N 3.27Å; R402-T405 WeakPolarHBondContact O-CB 2.97Å; R402-T405 PolarHBondContact O-N 2.76Å; R402-Q406 VanDerWaalsContact O-CG 3.24Å; R402-Q406 WeakPolarHBondContact O-CG 3.44Å; R402-Q406 PolarHBondContact O-N 3.04Å
403	Q	91.9	Very high	93.8	Very high	110 Å²	110	37 Å²	37	51%	0.514	18%	0.184	S	C	.	.	H	α-helix	trans	-59.7	-44.7	176.3	-75.7	173.6	-27.1	0	0	110.5	L248 L399 S400 Q406 L407	L248-Q403 HydrophobicContact CD2-CG 4.29Å; L399-Q403 HydrophobicContact CD1-CG 4.34Å; L399-Q403 WeakPolarHBondContact O-CG 3.38Å; L399-Q403 PolarHBondContact O-N 3.25Å; S400-Q403 PolarHBondContact O-N 2.9Å; Q403-Q406 PolarHBondContact O-N 2.9Å; Q403-L407 WeakPolarHBondContact O-CB 3.3Å; Q403-L407 PolarHBondContact O-N 2.94Å
404	Q	95.1	Very high	93.8	Very high	29 Å²	29	35.9 Å²	35.9	14%	0.136	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-43.3	177.5	-166.5	67.9	6.9	0	0	112.1	T373 A374 S400 R402 Q406 L407 L408 N443	T373-Q404 WeakPolarHBondContact O-CB 3.04Å; T373-Q404 WeakPolarHBondContact OG1-CG 3.26Å; A374-Q404 HydrophobicContact CB-CB 4.18Å; A374-Q404 HydrophobicContact CB-CG 3.87Å; S400-Q404 PolarHBondContact O-N 3.27Å; R402-Q404 VanDerWaalsContact C-N 3.3Å; R402-Q404 PolarHBondContact O-N 3.27Å; Q404-Q406 PolarHBondContact O-N 3.5Å; Q404-L407 WeakPolarHBondContact O-CB 3.39Å; Q404-L407 PolarHBondContact O-N 3.32Å; Q404-L408 HydrophobicContact CG-CD1 4.33Å; Q404-L408 HydrophobicContact CG-CG 4.42Å; Q404-L408 VanDerWaalsContact O-CG 3.31Å; Q404-L408 WeakPolarHBondContact O-CG 3.03Å; Q404-L408 PolarHBondContact O-N 3.22Å; Q404-N443 PolarHBondContact NE2-O 2.64Å; Q404-N443 VanDerWaalsContact NE2-O 3.13Å
405	T	94.6	Very high	94	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-52.4	-44.6	174	-74.1	0	0	0	0	111.9	L348 A374 L401 R402 L408 W409	L348-T405 VanDerWaalsContact CA-CG2 3.46Å; L348-T405 HydrophobicContact CB-CG2 4.09Å; L348-T405 HydrophobicContact CD2-CG2 3.6Å; L348-T405 HydrophobicContact CG-CG2 4.45Å; L348-T405 WeakPolarHBondContact O-CG2 3.42Å; A374-T405 PolarHBondContact O-OG1 3.23Å; L401-T405 VanDerWaalsContact O-CB 3.29Å; L401-T405 WeakPolarHBondContact O-CB 3.46Å; L401-T405 PolarHBondContact O-N 2.95Å; L401-T405 PolarHBondContact O-OG1 2.92Å; R402-T405 WeakPolarHBondContact O-CB 2.97Å; R402-T405 PolarHBondContact O-N 2.76Å; T405-L408 PolarHBondContact O-N 3.32Å; T405-W409 WeakPolarHBondContact O-CB 3.22Å; T405-W409 PolarHBondContact O-N 3.02Å
406	Q	92.6	Very high	94.3	Very high	13 Å²	13	25.5 Å²	25.5	6%	0.061	13%	0.13	C	C	.	.	H	α-helix	trans	-73.4	-38.7	-178.7	-65.3	-75.3	-85.6	0	0	112.4	L248 L348 Q349 A351 R402 Q403 Q404 L408 W409 E410	L248-Q406 HydrophobicContact CB-CG 3.64Å; L248-Q406 HydrophobicContact CD2-CG 4.13Å; L348-Q406 PolarHBondContact O-NE2 2.68Å; Q349-Q406 PolarHBondContact O-NE2 2.84Å; Q349-Q406 VanDerWaalsContact O-NE2 3.13Å; A351-Q406 VanDerWaalsContact CB-CD 3.49Å; A351-Q406 HydrophobicContact CB-CG 3.78Å; R402-Q406 VanDerWaalsContact O-CG 3.24Å; R402-Q406 WeakPolarHBondContact O-CG 3.44Å; R402-Q406 PolarHBondContact O-N 3.04Å; Q403-Q406 PolarHBondContact O-N 2.9Å; Q404-Q406 PolarHBondContact O-N 3.5Å; Q406-L408 VanDerWaalsContact C-N 3.34Å; Q406-L408 PolarHBondContact O-N 3.23Å; Q406-W409 PolarHBondContact O-N 3.39Å; Q406-E410 WeakPolarHBondContact O-CB 3.44Å; Q406-E410 WeakPolarHBondContact O-CG 3.31Å; Q406-E410 PolarHBondContact O-N 3.3Å
407	L	94.3	Very high	94.6	Very high	17 Å²	17	22.5 Å²	22.5	9%	0.089	11%	0.113	C	C	.	.	H	α-helix	trans	-55.1	-51.7	170.6	179.2	165.5	0	0	0	110.4	Q403 Q404 W409 E410 A411 L445	Q403-L407 WeakPolarHBondContact O-CB 3.3Å; Q403-L407 PolarHBondContact O-N 2.94Å; Q404-L407 WeakPolarHBondContact O-CB 3.39Å; Q404-L407 PolarHBondContact O-N 3.32Å; L407-W409 PolarHBondContact O-N 2.66Å; L407-E410 PolarHBondContact O-N 3.19Å; L407-A411 HydrophobicContact CD2-CB 4.45Å; L407-A411 WeakPolarHBondContact O-CB 3.5Å; L407-A411 PolarHBondContact O-N 3.22Å; L407-L445 HydrophobicContact CD1-CD2 4.41Å; L407-L445 HydrophobicContact CD1-CG 3.91Å; L407-L445 HydrophobicContact CG-CD2 3.91Å; L407-L445 HydrophobicContact CG-CG 3.98Å
408	L	96.6	Very high	94.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-40.9	-178.5	-64.4	177.6	0	0	0	111.9	I369 W371 A374 Q404 T405 Q406 A411 Y412 F413	I369-L408 HydrophobicContact CD1-CD2 4.1Å; I369-L408 HydrophobicContact CG1-CD2 4.25Å; I369-L408 HydrophobicContact CG2-CD1 3.63Å; I369-L408 HydrophobicContact CG2-CD2 3.98Å; I369-L408 HydrophobicContact CG2-CG 4.47Å; W371-L408 HydrophobicContact CE3-CD1 4.49Å; W371-L408 HydrophobicContact CH2-CD1 4.05Å; W371-L408 HydrophobicContact CZ3-CD1 3.92Å; A374-L408 HydrophobicContact CB-CD1 3.61Å; Q404-L408 HydrophobicContact CG-CD1 4.33Å; Q404-L408 HydrophobicContact CG-CG 4.42Å; Q404-L408 VanDerWaalsContact O-CG 3.31Å; Q404-L408 WeakPolarHBondContact O-CG 3.03Å; Q404-L408 PolarHBondContact O-N 3.22Å; T405-L408 PolarHBondContact O-N 3.32Å; Q406-L408 VanDerWaalsContact C-N 3.34Å; Q406-L408 PolarHBondContact O-N 3.23Å; L408-A411 PolarHBondContact O-N 3.4Å; L408-Y412 HydrophobicContact CD2-CD2 3.91Å; L408-Y412 HydrophobicContact CD2-CE2 3.9Å; L408-Y412 PolarHBondContact O-N 3.19Å; L408-F413 HydrophobicContact CB-CD2 4.23Å; L408-F413 HydrophobicContact CB-CE2 4.11Å; L408-F413 VanDerWaalsContact O-CD2 3.32Å; L408-F413 WeakPolarHBondContact O-CD2 3.29Å; L408-F413 PolarHBondContact O-N 3.2Å
409	W	95.9	Very high	95	Very high	7 Å²	7	19.2 Å²	19.2	3%	0.027	10%	0.098	C	C	.	.	I	π-helix	trans	-55.7	-53.3	173.6	173.9	-106.7	0	0	0	111.3	H238 E244 L345 L348 Q349 T405 Q406 L407 F413 N414	H238-W409 AromaticContact CE1-CH2 3.88Å; E244-W409 PolarHBondContact O-NE1 2.82Å; L345-W409 HydrophobicContact CB-CZ3 4.28Å; L345-W409 HydrophobicContact CD2-CZ3 4.43Å; L348-W409 HydrophobicContact CB-CB 4.45Å; L348-W409 HydrophobicContact CB-CE3 4.29Å; Q349-W409 HydrophobicContact CB-CD2 3.99Å; Q349-W409 HydrophobicContact CB-CE3 4.15Å; Q349-W409 HydrophobicContact CB-CH2 3.95Å; Q349-W409 HydrophobicContact CB-CZ2 3.78Å; Q349-W409 HydrophobicContact CB-CZ3 4.14Å; Q349-W409 HydrophobicContact CG-CD2 4.37Å; Q349-W409 HydrophobicContact CG-CH2 4.12Å; Q349-W409 HydrophobicContact CG-CZ2 3.53Å; T405-W409 WeakPolarHBondContact O-CB 3.22Å; T405-W409 PolarHBondContact O-N 3.02Å; Q406-W409 PolarHBondContact O-N 3.39Å; L407-W409 PolarHBondContact O-N 2.66Å; W409-F413 HydrophobicContact CE3-CB 3.82Å; W409-F413 HydrophobicContact CZ3-CB 4.21Å; W409-F413 WeakPolarHBondContact CZ3-O 3.49Å; W409-F413 PolarHBondContact O-N 3.39Å; W409-F413 VanDerWaalsContact O-N 3.14Å; W409-N414 HydrophobicContact CD2-CB 3.92Å; W409-N414 HydrophobicContact CG-CB 4.35Å; W409-N414 HydrophobicContact CH2-CB 4.25Å; W409-N414 HydrophobicContact CZ2-CB 3.6Å; W409-N414 WeakPolarHBondContact O-CB 3.17Å; W409-N414 PolarHBondContact O-N 3Å
410	E	92.8	Very high	95.3	Very high	44 Å²	44	17.4 Å²	17.4	21%	0.206	9%	0.089	C	C	.	.	I	π-helix	trans	-71.1	-31.4	-177.4	-69.5	-171.2	176.9	0	0	113.3	Q406 L407 K418	Q406-E410 WeakPolarHBondContact O-CB 3.44Å; Q406-E410 WeakPolarHBondContact O-CG 3.31Å; Q406-E410 PolarHBondContact O-N 3.3Å; L407-E410 PolarHBondContact O-N 3.19Å; E410-K418 PolarHBondContact O-NZ 3.18Å
411	A	94.6	Very high	95.6	Very high	7 Å²	7	16 Å²	16	6%	0.058	8%	0.077	C	C	.	.	I	π-helix	trans	-80.8	-37.7	-178.2	0	0	0	0	0	112.6	L407 L408 L449	L407-A411 HydrophobicContact CD2-CB 4.45Å; L407-A411 WeakPolarHBondContact O-CB 3.5Å; L407-A411 PolarHBondContact O-N 3.22Å; L408-A411 PolarHBondContact O-N 3.4Å; A411-L449 VanDerWaalsContact O-CD1 3.32Å; A411-L449 WeakPolarHBondContact O-CD1 3.17Å
412	Y	97.3	Very high	95.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-131.9	-25.5	-164	-54	-54.7	0	0	0	115.9	I369 L408 K418 I419 T422 W442 G447 G448 L449	I369-Y412 HydrophobicContact CD1-CD2 4.21Å; L408-Y412 HydrophobicContact CD2-CD2 3.91Å; L408-Y412 HydrophobicContact CD2-CE2 3.9Å; L408-Y412 PolarHBondContact O-N 3.19Å; Y412-K418 CarbonylContact O-C 3.58Å; Y412-K418 WeakPolarHBondContact O-CB 3.28Å; Y412-I419 WeakPolarHBondContact O-CG1 3.47Å; Y412-I419 PolarHBondContact O-N 3.37Å; Y412-T422 HydrophobicContact CD1-CG2 3.93Å; Y412-T422 VanDerWaalsContact CD1-OG1 3.3Å; Y412-T422 WeakPolarHBondContact CD1-OG1 3.48Å; Y412-T422 HydrophobicContact CE1-CG2 4.45Å; Y412-T422 HydrophobicContact CG-CG2 4.46Å; Y412-W442 AromaticContact CE1-CE3 3.84Å; Y412-W442 HydrophobicContact CE1-CE3 3.84Å; Y412-W442 AromaticContact CE1-CZ3 3.83Å; Y412-W442 HydrophobicContact CE1-CZ3 3.83Å; Y412-W442 WeakPolarHBondContact CE2-O 3.21Å; Y412-W442 AromaticContact CZ-CE3 3.79Å; Y412-W442 WeakPolarHBondContact OH-CA 3.46Å; Y412-W442 PolarHBondContact OH-O 2.72Å; Y412-G447 VanDerWaalsContact OH-CA 3.24Å; Y412-G447 WeakPolarHBondContact OH-CA 3.45Å; Y412-G448 PolarHBondContact OH-N 3.21Å; Y412-L449 HydrophobicContact CD1-CG 4.35Å; Y412-L449 HydrophobicContact CE1-CG 4.23Å
413	F	97.2	Very high	96.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-120	-8.7	-162.8	-60.8	-57.4	0	0	0	116	P232 H238 L345 L348 P364 F365 I369 W371 L408 W409 S415 I419	P232-F413 HydrophobicContact CB-CD1 4.31Å; P232-F413 HydrophobicContact CB-CE1 4.31Å; P232-F413 HydrophobicContact CG-CD1 3.77Å; P232-F413 HydrophobicContact CG-CE1 3.93Å; H238-F413 PolarHBondContact CE1-O 3.2Å; H238-F413 PolarHBondContact NE2-O 2.7Å; H238-F413 VanDerWaalsContact NE2-O 3.1Å; L345-F413 HydrophobicContact CD2-CB 3.87Å; L345-F413 HydrophobicContact CD2-CD1 4.16Å; L345-F413 HydrophobicContact CD2-CG 4.07Å; L348-F413 HydrophobicContact CD1-CD2 3.77Å; L348-F413 HydrophobicContact CD1-CE2 4.1Å; L348-F413 HydrophobicContact CD1-CG 4.43Å; P364-F413 HydrophobicContact CB-CE1 4Å; P364-F413 HydrophobicContact CB-CZ 4.14Å; F365-F413 AromaticContact CD2-CE1 3.49Å; F365-F413 HydrophobicContact CD2-CE1 3.49Å; F365-F413 VanDerWaalsContact CD2-CE1 3.49Å; F365-F413 AromaticContact CD2-CZ 3.71Å; F365-F413 HydrophobicContact CD2-CZ 3.71Å; F365-F413 HydrophobicContact CE2-CD1 4.19Å; F365-F413 AromaticContact CE2-CE1 3.49Å; F365-F413 HydrophobicContact CE2-CE1 3.49Å; F365-F413 VanDerWaalsContact CE2-CE1 3.49Å; F365-F413 HydrophobicContact CE2-CZ 4.17Å; I369-F413 HydrophobicContact CD1-CE2 3.8Å; I369-F413 HydrophobicContact CD1-CZ 3.6Å; W371-F413 AromaticContact CH2-CE2 3.77Å; W371-F413 HydrophobicContact CH2-CE2 3.77Å; W371-F413 HydrophobicContact CH2-CZ 4.08Å; W371-F413 HydrophobicContact CZ2-CE2 4.07Å; W371-F413 AromaticContact CZ2-CZ 3.93Å; W371-F413 HydrophobicContact CZ2-CZ 3.93Å; L408-F413 HydrophobicContact CB-CD2 4.23Å; L408-F413 HydrophobicContact CB-CE2 4.11Å; L408-F413 VanDerWaalsContact O-CD2 3.32Å; L408-F413 WeakPolarHBondContact O-CD2 3.29Å; L408-F413 PolarHBondContact O-N 3.2Å; W409-F413 HydrophobicContact CE3-CB 3.82Å; W409-F413 HydrophobicContact CZ3-CB 4.21Å; W409-F413 WeakPolarHBondContact CZ3-O 3.49Å; W409-F413 PolarHBondContact O-N 3.39Å; W409-F413 VanDerWaalsContact O-N 3.14Å; F413-S415 PolarHBondContact O-N 3Å; F413-I419 HydrophobicContact CD1-CG1 4.36Å
414	N	95.1	Very high	96.3	Very high	10 Å²	10	10.5 Å²	10.5	5%	0.053	5%	0.051	C	C	.	.	S	Bend	trans	-79.8	0.1	-175.9	84.7	-19	0	0	0	114.5	P239 G243 W409 K418	P239-N414 WeakPolarHBondContact CG-O 3.4Å; G243-N414 WeakPolarHBondContact CA-O 3.39Å; G243-N414 PolarHBondContact N-O 3.44Å; G243-N414 PolarHBondContact O-ND2 2.65Å; W409-N414 HydrophobicContact CD2-CB 3.92Å; W409-N414 HydrophobicContact CG-CB 4.35Å; W409-N414 HydrophobicContact CH2-CB 4.25Å; W409-N414 HydrophobicContact CZ2-CB 3.6Å; W409-N414 WeakPolarHBondContact O-CB 3.17Å; W409-N414 PolarHBondContact O-N 3Å; N414-K418 VanDerWaalsContact OD1-CD 3.23Å; N414-K418 WeakPolarHBondContact OD1-CD 3.45Å; N414-K418 WeakPolarHBondContact OD1-CE 3.31Å; N414-K418 PolarHBondContact OD1-NZ 3.17Å
415	S	96.5	Very high	96.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-154.2	156.7	171.9	68.3	0	0	0	0	112.2	H238 P239 R240 F413 E417 K418 I419	H238-S415 WeakPolarHBondContact NE2-CA 3.47Å; H238-S415 PolarHBondContact NE2-N 3.18Å; P239-S415 CarbonylContact O-C 3.46Å; P239-S415 VanDerWaalsContact O-CA 3.26Å; P239-S415 WeakPolarHBondContact O-CA 3.47Å; P239-S415 WeakPolarHBondContact O-CB 3.5Å; R240-S415 WeakPolarHBondContact O-CB 3.38Å; F413-S415 PolarHBondContact O-N 3Å; S415-E417 PolarHBondContact O-N 3.39Å; S415-K418 PolarHBondContact O-N 3.14Å; S415-K418 PolarHBondContact OG-N 2.93Å; S415-I419 WeakPolarHBondContact O-CG1 3.49Å; S415-I419 PolarHBondContact O-N 3.12Å
416	V	97.3	Very high	96.6	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.006	5%	0.046	C	C	.	.	H	α-helix	trans	-56.9	-42	172.6	-179.7	0	0	0	0	110.4	N130 I131 F234 P239 K418 I419 V420	N130-V416 HydrophobicContact CB-CB 4.49Å; N130-V416 HydrophobicContact CB-CG1 4.17Å; N130-V416 HydrophobicContact CB-CG2 4.49Å; I131-V416 HydrophobicContact CG1-CG1 3.79Å; F234-V416 HydrophobicContact CD2-CG2 4.02Å; F234-V416 HydrophobicContact CE2-CG1 4.32Å; F234-V416 HydrophobicContact CE2-CG2 3.77Å; F234-V416 HydrophobicContact CZ-CG1 4.12Å; F234-V416 HydrophobicContact CZ-CG2 4.27Å; P239-V416 PolarHBondContact O-N 2.8Å; V416-K418 VanDerWaalsContact C-N 3.34Å; V416-K418 PolarHBondContact O-N 3.08Å; V416-I419 PolarHBondContact O-N 3.5Å; V416-V420 HydrophobicContact CG1-CG2 4.18Å; V416-V420 WeakPolarHBondContact O-CG2 3.47Å; V416-V420 PolarHBondContact O-N 3.18Å
417	E	96.6	Very high	96.8	Very high	42 Å²	42	8.9 Å²	8.9	20%	0.196	4%	0.044	C	C	.	.	H	α-helix	trans	-54.5	-46.9	176.9	176.7	-174.3	-127.6	0	0	112.2	S134 R240 T241 S415 I419 V420 L421	S134-E417 WeakPolarHBondContact OG-CA 3.5Å; R240-E417 VanDerWaalsContact O-CB 3.25Å; R240-E417 WeakPolarHBondContact O-CB 3.4Å; R240-E417 PolarHBondContact O-N 2.98Å; T241-E417 HydrophobicContact CG2-CB 4.22Å; S415-E417 PolarHBondContact O-N 3.39Å; E417-I419 PolarHBondContact O-N 2.91Å; E417-V420 PolarHBondContact O-N 3.14Å; E417-L421 HydrophobicContact CG-CD1 3.8Å; E417-L421 HydrophobicContact CG-CG 4.23Å; E417-L421 WeakPolarHBondContact O-CB 3.35Å; E417-L421 VanDerWaalsContact O-CG 3.24Å; E417-L421 WeakPolarHBondContact O-CG 3.23Å; E417-L421 PolarHBondContact O-N 3.08Å
418	K	96.9	Very high	96.9	Very high	26 Å²	26	8.5 Å²	8.5	11%	0.113	4%	0.041	C	C	.	.	H	α-helix	trans	-68	-37.5	-179.8	-73.8	-179.2	-175.6	168.5	0	112.6	E410 Y412 N414 S415 V416 V420 L421 T422 L449	E410-K418 PolarHBondContact O-NZ 3.18Å; Y412-K418 CarbonylContact O-C 3.58Å; Y412-K418 WeakPolarHBondContact O-CB 3.28Å; N414-K418 VanDerWaalsContact OD1-CD 3.23Å; N414-K418 WeakPolarHBondContact OD1-CD 3.45Å; N414-K418 WeakPolarHBondContact OD1-CE 3.31Å; N414-K418 PolarHBondContact OD1-NZ 3.17Å; S415-K418 PolarHBondContact O-N 3.14Å; S415-K418 PolarHBondContact OG-N 2.93Å; V416-K418 VanDerWaalsContact C-N 3.34Å; V416-K418 PolarHBondContact O-N 3.08Å; K418-V420 VanDerWaalsContact C-N 3.32Å; K418-V420 PolarHBondContact O-N 2.67Å; K418-L421 PolarHBondContact O-N 3.03Å; K418-T422 VanDerWaalsContact O-CB 3.22Å; K418-T422 WeakPolarHBondContact O-CB 3.28Å; K418-T422 PolarHBondContact O-N 3.31Å; K418-T422 PolarHBondContact O-OG1 2.89Å; K418-L449 HydrophobicContact CB-CD1 4.14Å; K418-L449 HydrophobicContact CG-CD1 3.91Å
419	I	98.4	Very high	96.9	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-61.4	-45.6	175.7	-66.5	162.7	0	0	0	109.8	I231 P232 F234 F365 Y412 F413 S415 V416 E417 T423	I231-I419 HydrophobicContact CB-CG2 4.29Å; I231-I419 HydrophobicContact CG2-CG2 4.46Å; P232-I419 HydrophobicContact CG-CD1 3.61Å; P232-I419 HydrophobicContact CG-CG1 3.88Å; P232-I419 HydrophobicContact CG-CG2 4.21Å; F234-I419 HydrophobicContact CD1-CD1 3.78Å; F234-I419 HydrophobicContact CE1-CD1 4.25Å; F234-I419 HydrophobicContact CE1-CG2 4.41Å; F234-I419 HydrophobicContact CG-CD1 4.4Å; F365-I419 HydrophobicContact CZ-CG2 4.06Å; F365-I419 WeakPolarHBondContact CZ-O 3.47Å; Y412-I419 WeakPolarHBondContact O-CG1 3.47Å; Y412-I419 PolarHBondContact O-N 3.37Å; F413-I419 HydrophobicContact CD1-CG1 4.36Å; S415-I419 WeakPolarHBondContact O-CG1 3.49Å; S415-I419 PolarHBondContact O-N 3.12Å; V416-I419 PolarHBondContact O-N 3.5Å; E417-I419 PolarHBondContact O-N 2.91Å; I419-T423 PolarHBondContact O-N 2.95Å; I419-T423 PolarHBondContact O-OG1 2.86Å
420	V	98.4	Very high	96.8	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-65.8	-49.7	178.5	171.2	0	0	0	0	111.3	I131 I135 F190 V416 E417 K418 T422 T423 L424	I131-V420 HydrophobicContact CB-CG2 4.18Å; I131-V420 HydrophobicContact CG1-CG2 3.98Å; I131-V420 HydrophobicContact CG2-CG2 3.87Å; I135-V420 HydrophobicContact CD1-CG1 4.16Å; I135-V420 HydrophobicContact CG1-CG1 3.42Å; I135-V420 VanDerWaalsContact CG1-CG1 3.42Å; F190-V420 HydrophobicContact CE1-CG2 4.47Å; V416-V420 HydrophobicContact CG1-CG2 4.18Å; V416-V420 WeakPolarHBondContact O-CG2 3.47Å; V416-V420 PolarHBondContact O-N 3.18Å; E417-V420 PolarHBondContact O-N 3.14Å; K418-V420 VanDerWaalsContact C-N 3.32Å; K418-V420 PolarHBondContact O-N 2.67Å; V420-T422 VanDerWaalsContact C-N 3.31Å; V420-T422 PolarHBondContact O-N 3.46Å; V420-T423 VanDerWaalsContact O-CB 3.31Å; V420-T423 WeakPolarHBondContact O-CB 3.18Å; V420-T423 PolarHBondContact O-N 3.14Å; V420-T423 VanDerWaalsContact O-N 3.14Å; V420-L424 HydrophobicContact CG1-CD1 4.42Å; V420-L424 WeakPolarHBondContact O-CG 3.38Å; V420-L424 PolarHBondContact O-N 2.96Å
421	L	97.8	Very high	96.9	Very high	22 Å²	22	8.9 Å²	8.9	12%	0.115	4%	0.044	C	C	.	.	H	α-helix	trans	-62.4	-38.8	179	-68.2	179.3	0	0	0	111.7	S138 F140 E417 K418 T423 L424 E425 L449	S138-L421 VanDerWaalsContact CB-CD2 3.5Å; F140-L421 HydrophobicContact CD2-CD2 4.2Å; F140-L421 HydrophobicContact CE2-CD2 4.14Å; E417-L421 HydrophobicContact CG-CD1 3.8Å; E417-L421 HydrophobicContact CG-CG 4.23Å; E417-L421 WeakPolarHBondContact O-CB 3.35Å; E417-L421 VanDerWaalsContact O-CG 3.24Å; E417-L421 WeakPolarHBondContact O-CG 3.23Å; E417-L421 PolarHBondContact O-N 3.08Å; K418-L421 PolarHBondContact O-N 3.03Å; L421-T423 VanDerWaalsContact C-N 3.32Å; L421-T423 PolarHBondContact O-N 3.4Å; L421-L424 PolarHBondContact O-N 2.94Å; L421-E425 WeakPolarHBondContact O-CB 3.15Å; L421-E425 WeakPolarHBondContact O-CG 3.33Å; L421-E425 PolarHBondContact O-N 3.28Å; L421-L449 HydrophobicContact CB-CD2 3.99Å
422	T	98.5	Very high	96.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-42.5	175.1	-55.4	0	0	0	0	110.9	F365 Y412 K418 V420 L424 E425 I426 W442	F365-T422 HydrophobicContact CD1-CG2 4.15Å; F365-T422 HydrophobicContact CD2-CG2 3.78Å; F365-T422 HydrophobicContact CE1-CG2 4.04Å; F365-T422 HydrophobicContact CE2-CG2 3.68Å; F365-T422 HydrophobicContact CG-CG2 4.02Å; F365-T422 HydrophobicContact CZ-CG2 3.82Å; Y412-T422 HydrophobicContact CD1-CG2 3.93Å; Y412-T422 VanDerWaalsContact CD1-OG1 3.3Å; Y412-T422 WeakPolarHBondContact CD1-OG1 3.48Å; Y412-T422 HydrophobicContact CE1-CG2 4.45Å; Y412-T422 HydrophobicContact CG-CG2 4.46Å; K418-T422 VanDerWaalsContact O-CB 3.22Å; K418-T422 WeakPolarHBondContact O-CB 3.28Å; K418-T422 PolarHBondContact O-N 3.31Å; K418-T422 PolarHBondContact O-OG1 2.89Å; V420-T422 VanDerWaalsContact C-N 3.31Å; V420-T422 PolarHBondContact O-N 3.46Å; T422-L424 PolarHBondContact O-N 2.96Å; T422-E425 PolarHBondContact O-N 3.48Å; T422-I426 HydrophobicContact CG2-CD1 4.07Å; T422-I426 VanDerWaalsContact O-CG1 3.27Å; T422-I426 WeakPolarHBondContact O-CG1 3.49Å; T422-I426 PolarHBondContact O-N 2.81Å; T422-W442 HydrophobicContact CG2-CZ3 4.14Å
423	T	98.7	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.1	-47.4	174.8	-56.8	0	0	0	0	111.3	I188 F190 A214 V229 I419 V420 L421 I426 I427	I188-T423 HydrophobicContact CD1-CG2 3.71Å; F190-T423 HydrophobicContact CE1-CG2 4.22Å; F190-T423 HydrophobicContact CZ-CG2 4.32Å; A214-T423 HydrophobicContact CB-CG2 4.02Å; V229-T423 HydrophobicContact CB-CG2 4.14Å; V229-T423 HydrophobicContact CG1-CG2 4.04Å; V229-T423 HydrophobicContact CG2-CG2 4.16Å; I419-T423 PolarHBondContact O-N 2.95Å; I419-T423 PolarHBondContact O-OG1 2.86Å; V420-T423 VanDerWaalsContact O-CB 3.31Å; V420-T423 WeakPolarHBondContact O-CB 3.18Å; V420-T423 PolarHBondContact O-N 3.14Å; V420-T423 VanDerWaalsContact O-N 3.14Å; L421-T423 VanDerWaalsContact C-N 3.32Å; L421-T423 PolarHBondContact O-N 3.4Å; T423-I426 PolarHBondContact O-N 2.9Å; T423-I427 HydrophobicContact CG2-CD1 4.26Å; T423-I427 WeakPolarHBondContact O-CG1 3.41Å; T423-I427 PolarHBondContact O-N 2.8Å
424	L	98.1	Very high	95.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-37	179.6	-65.8	-178.1	0	0	0	112.8	F111 V113 I135 F140 L150 V420 L421 T422 I427 Q428	F111-L424 HydrophobicContact CE1-CB 4.37Å; F111-L424 WeakPolarHBondContact CE1-O 3.38Å; V113-L424 HydrophobicContact CG2-CD1 4.31Å; V113-L424 HydrophobicContact CG2-CD2 3.97Å; I135-L424 HydrophobicContact CG1-CD1 4.39Å; F140-L424 HydrophobicContact CB-CD1 4.23Å; F140-L424 HydrophobicContact CD2-CB 4.01Å; F140-L424 HydrophobicContact CD2-CD1 3.63Å; F140-L424 HydrophobicContact CD2-CG 4.49Å; F140-L424 HydrophobicContact CE2-CB 3.81Å; F140-L424 HydrophobicContact CE2-CD1 4.22Å; F140-L424 HydrophobicContact CG-CD1 4.14Å; F140-L424 HydrophobicContact CZ-CB 4.15Å; L150-L424 HydrophobicContact CD2-CD2 3.8Å; V420-L424 HydrophobicContact CG1-CD1 4.42Å; V420-L424 WeakPolarHBondContact O-CG 3.38Å; V420-L424 PolarHBondContact O-N 2.96Å; L421-L424 PolarHBondContact O-N 2.94Å; T422-L424 PolarHBondContact O-N 2.96Å; L424-I427 PolarHBondContact O-N 3.04Å; L424-Q428 WeakPolarHBondContact O-CB 3.38Å; L424-Q428 PolarHBondContact O-N 3.37Å
425	E	97.3	Very high	95.5	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.019	13%	0.129	C	C	.	.	H	α-helix	trans	-69.1	-37.9	177.3	-68.1	-83.5	-160.8	0	0	112	R139 F140 L421 T422 I427 Q428 D429 R437 W442 L449	R139-E425 IonicContact CZ-OE1 2.87Å; R139-E425 IonicContact NE-OE1 3.43Å; R139-E425 IonicContact NH2-OE1 3.83Å; R139-E425 PolarHBondContact NH2-OE1 3.11Å; R139-E425 IonicContact NH2-OE2 2.77Å; R139-E425 PolarHBondContact NH2-OE2 2.9Å; F140-E425 HydrophobicContact CE2-CG 4.33Å; F140-E425 HydrophobicContact CZ-CG 3.95Å; L421-E425 WeakPolarHBondContact O-CB 3.15Å; L421-E425 WeakPolarHBondContact O-CG 3.33Å; L421-E425 PolarHBondContact O-N 3.28Å; T422-E425 PolarHBondContact O-N 3.48Å; E425-I427 VanDerWaalsContact C-N 3.33Å; E425-I427 PolarHBondContact O-N 3Å; E425-Q428 PolarHBondContact O-N 3.27Å; E425-Q428 PolarHBondContact OE2-OE1 3.43Å; E425-D429 PolarHBondContact O-N 3.39Å; E425-R437 IonicContact OE1-NH2 2.67Å; E425-R437 PolarHBondContact OE1-NH2 3.47Å; E425-R437 VanDerWaalsContact OE1-NH2 3.15Å; E425-R437 IonicContact OE2-CZ 2.81Å; E425-R437 IonicContact OE2-NH1 2.71Å; E425-R437 PolarHBondContact OE2-NH1 3.26Å; E425-R437 IonicContact OE2-NH2 3.79Å; E425-R437 PolarHBondContact OE2-NH2 2.96Å; E425-W442 HydrophobicContact CB-CH2 3.68Å; E425-W442 HydrophobicContact CB-CZ2 4.38Å; E425-L449 HydrophobicContact CG-CD2 3.91Å
426	I	97.9	Very high	95.3	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-46.6	172	-70.9	164.9	0	0	0	110.1	V229 F365 I368 T422 T423 Q428 D429 R430 W442	V229-I426 HydrophobicContact CG1-CD1 4.15Å; V229-I426 HydrophobicContact CG2-CG2 4.37Å; F365-I426 HydrophobicContact CB-CD1 4.17Å; F365-I426 HydrophobicContact CD1-CD1 3.44Å; F365-I426 VanDerWaalsContact CD1-CD1 3.44Å; F365-I426 HydrophobicContact CE1-CD1 4.07Å; F365-I426 HydrophobicContact CG-CD1 4.05Å; I368-I426 HydrophobicContact CG1-CD1 3.84Å; I368-I426 HydrophobicContact CG1-CG1 4.01Å; I368-I426 HydrophobicContact CG2-CG1 4.13Å; T422-I426 HydrophobicContact CG2-CD1 4.07Å; T422-I426 VanDerWaalsContact O-CG1 3.27Å; T422-I426 WeakPolarHBondContact O-CG1 3.49Å; T422-I426 PolarHBondContact O-N 2.81Å; T423-I426 PolarHBondContact O-N 2.9Å; I426-Q428 VanDerWaalsContact C-N 3.34Å; I426-Q428 PolarHBondContact O-N 3.38Å; I426-D429 PolarHBondContact O-N 3.25Å; I426-R430 WeakPolarHBondContact O-CG 3.48Å; I426-R430 PolarHBondContact O-N 3.09Å; I426-R430 VanDerWaalsContact O-N 3.1Å; I426-W442 HydrophobicContact CG1-CH2 4.41Å; I426-W442 HydrophobicContact CG1-CZ2 4.46Å
427	I	97.6	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-39.9	178.7	-62.1	166.6	0	0	0	110.4	F111 L150 I188 M212 V229 T423 L424 E425 D429 R430 V431	F111-I427 HydrophobicContact CE2-CB 4.36Å; F111-I427 HydrophobicContact CE2-CG2 3.66Å; F111-I427 HydrophobicContact CZ-CB 3.99Å; F111-I427 HydrophobicContact CZ-CG2 3.74Å; L150-I427 HydrophobicContact CD2-CD1 4.22Å; I188-I427 HydrophobicContact CD1-CD1 3.48Å; I188-I427 VanDerWaalsContact CD1-CD1 3.48Å; M212-I427 HydrophobicContact CE-CD1 4.16Å; M212-I427 HydrophobicContact CE-CG2 4.06Å; M212-I427 HydrophobicContact SD-CD1 4.34Å; M212-I427 HydrophobicContact SD-CG1 4.38Å; M212-I427 HydrophobicContact SD-CG2 4.43Å; V229-I427 HydrophobicContact CG2-CD1 4.41Å; V229-I427 HydrophobicContact CG2-CG1 4.21Å; T423-I427 HydrophobicContact CG2-CD1 4.26Å; T423-I427 WeakPolarHBondContact O-CG1 3.41Å; T423-I427 PolarHBondContact O-N 2.8Å; L424-I427 PolarHBondContact O-N 3.04Å; E425-I427 VanDerWaalsContact C-N 3.33Å; E425-I427 PolarHBondContact O-N 3Å; I427-D429 VanDerWaalsContact C-N 3.34Å; I427-D429 PolarHBondContact O-N 3.03Å; I427-R430 PolarHBondContact O-N 3.03Å; I427-V431 HydrophobicContact CG2-CG2 4.32Å; I427-V431 VanDerWaalsContact O-CG2 3.24Å; I427-V431 WeakPolarHBondContact O-CG2 3.42Å; I427-V431 PolarHBondContact O-N 2.96Å
428	Q	95.5	Very high	95.1	Very high	9 Å²	9	30 Å²	30	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-59.5	-44.1	174.8	-176.3	172.4	25.6	0	0	111.7	F111 F140 L424 E425 I426 R430 V431 L432	F111-Q428 HydrophobicContact CB-CG 4.05Å; F111-Q428 HydrophobicContact CD1-CB 3.7Å; F111-Q428 HydrophobicContact CD1-CG 3.98Å; F111-Q428 HydrophobicContact CD2-CB 4.49Å; F111-Q428 HydrophobicContact CE1-CB 3.9Å; F111-Q428 HydrophobicContact CG-CB 4.01Å; F111-Q428 HydrophobicContact CG-CG 4.01Å; F111-Q428 HydrophobicContact CZ-CB 4.38Å; F140-Q428 VanDerWaalsContact CE1-OE1 3.26Å; L424-Q428 WeakPolarHBondContact O-CB 3.38Å; L424-Q428 PolarHBondContact O-N 3.37Å; E425-Q428 PolarHBondContact O-N 3.27Å; E425-Q428 PolarHBondContact OE2-OE1 3.43Å; I426-Q428 VanDerWaalsContact C-N 3.34Å; I426-Q428 PolarHBondContact O-N 3.38Å; Q428-R430 VanDerWaalsContact C-N 3.28Å; Q428-R430 PolarHBondContact O-N 2.76Å; Q428-V431 PolarHBondContact O-N 3.39Å; Q428-L432 HydrophobicContact CG-CD1 3.99Å; Q428-L432 WeakPolarHBondContact O-CB 3.49Å; Q428-L432 PolarHBondContact O-N 2.81Å
429	D	95.7	Very high	94.9	Very high	15 Å²	15	32.5 Å²	32.5	8%	0.08	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-34.9	178.3	-79	8.8	0	0	0	111.5	E425 I426 I427 L432 E433 R437 W442	E425-D429 PolarHBondContact O-N 3.39Å; I426-D429 PolarHBondContact O-N 3.25Å; I427-D429 VanDerWaalsContact C-N 3.34Å; I427-D429 PolarHBondContact O-N 3.03Å; D429-L432 CarbonylContact O-C 3.57Å; D429-E433 WeakPolarHBondContact O-CA 3.4Å; D429-E433 PolarHBondContact O-N 3.49Å; D429-R437 IonicContact OD1-CZ 3.35Å; D429-R437 IonicContact OD1-NH1 2.78Å; D429-R437 PolarHBondContact OD1-NH1 3.09Å; D429-R437 WeakPolarHBondContact OD2-CB 3.5Å; D429-R437 PolarHBondContact OD2-N 3.49Å; D429-R437 IonicContact OD2-NH1 3.24Å; D429-W442 WeakPolarHBondContact OD2-CZ2 3.37Å; D429-W442 PolarHBondContact OD2-NE1 2.72Å
430	R	95.3	Very high	94.7	Very high	29 Å²	29	35.5 Å²	35.5	11%	0.109	19%	0.19	C	C	.	.	H	α-helix	trans	-70	-38	173.6	-65.6	168	-175.1	173.9	-1	112.8	M97 Q226 F227 D228 E367 I426 I427 Q428	M97-R430 HydrophobicContact CE-CB 3.99Å; M97-R430 HydrophobicContact CG-CB 4.36Å; M97-R430 HydrophobicContact SD-CB 4.38Å; Q226-R430 WeakPolarHBondContact O-CD 3.4Å; Q226-R430 PolarHBondContact O-NE 3.35Å; F227-R430 VanDerWaalsContact C-NH1 3.31Å; F227-R430 PolarHBondContact O-NH1 3.09Å; D228-R430 PolarHBondContact O-NH1 3.47Å; D228-R430 PolarHBondContact O-NH2 3.15Å; E367-R430 IonicContact OE1-CZ 3Å; E367-R430 IonicContact OE1-NE 2.72Å; E367-R430 PolarHBondContact OE1-NE 3.24Å; E367-R430 VanDerWaalsContact OE1-NE 3.1Å; E367-R430 IonicContact OE1-NH2 3.71Å; E367-R430 IonicContact OE2-CZ 2.67Å; E367-R430 IonicContact OE2-NE 2.72Å; E367-R430 PolarHBondContact OE2-NE 2.77Å; E367-R430 IonicContact OE2-NH2 3.01Å; E367-R430 PolarHBondContact OE2-NH2 2.96Å; I426-R430 WeakPolarHBondContact O-CG 3.48Å; I426-R430 PolarHBondContact O-N 3.09Å; I426-R430 VanDerWaalsContact O-N 3.1Å; I427-R430 PolarHBondContact O-N 3.03Å; Q428-R430 VanDerWaalsContact C-N 3.28Å; Q428-R430 PolarHBondContact O-N 2.76Å
431	V	94.4	Very high	94.6	Very high	16 Å²	16	35.4 Å²	35.4	10%	0.097	19%	0.19	C	C	.	.	H	α-helix	trans	-71.1	-38.7	178.1	170.6	0	0	0	0	111.2	M97 F101 F103 C106 F111 I427 Q428	M97-V431 HydrophobicContact CE-CG2 4.13Å; F101-V431 HydrophobicContact CE1-CG2 3.75Å; F101-V431 HydrophobicContact CZ-CG2 3.89Å; F103-V431 HydrophobicContact CD1-CG1 4.49Å; C106-V431 HydrophobicContact CB-CG1 3.42Å; C106-V431 VanDerWaalsContact CB-CG1 3.42Å; C106-V431 WeakPolarHBondContact SG-CG1 3.2Å; F111-V431 HydrophobicContact CD2-CB 4.39Å; F111-V431 HydrophobicContact CD2-CG1 4.43Å; F111-V431 HydrophobicContact CD2-CG2 4.11Å; F111-V431 HydrophobicContact CE2-CG2 4.13Å; I427-V431 HydrophobicContact CG2-CG2 4.32Å; I427-V431 VanDerWaalsContact O-CG2 3.24Å; I427-V431 WeakPolarHBondContact O-CG2 3.42Å; I427-V431 PolarHBondContact O-N 2.96Å; Q428-V431 PolarHBondContact O-N 3.39Å
432	L	91.4	Very high	94.5	Very high	43 Å²	43	34.6 Å²	34.6	23%	0.225	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	59.1	-176.7	-58.2	177.4	0	0	0	110.4	Q428 D429 H434 N435 S436	Q428-L432 HydrophobicContact CG-CD1 3.99Å; Q428-L432 WeakPolarHBondContact O-CB 3.49Å; Q428-L432 PolarHBondContact O-N 2.81Å; D429-L432 CarbonylContact O-C 3.57Å; L432-H434 PolarHBondContact O-N 3.41Å; L432-H434 VanDerWaalsContact O-N 3.11Å; L432-N435 HydrophobicContact CB-CB 4.49Å; L432-N435 CarbonylContact O-C 3.41Å; L432-N435 WeakPolarHBondContact O-CA 3.44Å; L432-N435 PolarHBondContact O-N 3.23Å; L432-S436 PolarHBondContact O-N 3.47Å
433	E	87.1	Confident	94.4	Very high	155 Å²	155	35.4 Å²	35.4	72%	0.724	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-52.5	-39.8	-170.6	-170.3	179.4	-175	0	0	113.6	D429 N435 S436	D429-E433 WeakPolarHBondContact O-CA 3.4Å; D429-E433 PolarHBondContact O-N 3.49Å; E433-N435 PolarHBondContact O-N 3.18Å; E433-S436 VanDerWaalsContact O-CB 3.3Å; E433-S436 WeakPolarHBondContact O-CB 3.3Å; E433-S436 PolarHBondContact O-N 2.94Å; E433-S436 VanDerWaalsContact O-N 3.09Å; E433-S436 PolarHBondContact O-OG 3.14Å
434	H	87	Confident	94.1	Very high	143 Å²	143	35.5 Å²	35.5	66%	0.662	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-63.4	-22.4	177.7	63.2	-83.1	0	0	0	114.2	L432	L432-H434 PolarHBondContact O-N 3.41Å; L432-H434 VanDerWaalsContact O-N 3.11Å
435	N	89	Confident	93.8	Very high	52 Å²	52	39.5 Å²	39.5	28%	0.278	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-114.7	27.2	176.6	-70.4	-28.9	0	0	0	111	L432 E433 P453	L432-N435 HydrophobicContact CB-CB 4.49Å; L432-N435 CarbonylContact O-C 3.41Å; L432-N435 WeakPolarHBondContact O-CA 3.44Å; L432-N435 PolarHBondContact O-N 3.23Å; E433-N435 PolarHBondContact O-N 3.18Å; N435-P453 HydrophobicContact CB-CB 4.47Å; N435-P453 WeakPolarHBondContact O-CB 3.31Å; N435-P453 WeakPolarHBondContact O-CG 3.25Å
436	S	93	Very high	93.7	Very high	52 Å²	52	39.8 Å²	39.8	36%	0.364	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-72.2	150.2	176.9	58.4	0	0	0	0	111.4	L432 E433	L432-S436 PolarHBondContact O-N 3.47Å; E433-S436 VanDerWaalsContact O-CB 3.3Å; E433-S436 WeakPolarHBondContact O-CB 3.3Å; E433-S436 PolarHBondContact O-N 2.94Å; E433-S436 VanDerWaalsContact O-N 3.09Å; E433-S436 PolarHBondContact O-OG 3.14Å
437	R	95.1	Very high	93.5	Very high	13 Å²	13	39.7 Å²	39.7	5%	0.049	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-76.4	141.6	175.6	-67.3	166.7	177.2	92.4	-10.6	110.4	E425 D429 M441 W442 G448 T451 P453	E425-R437 IonicContact OE1-NH2 2.67Å; E425-R437 PolarHBondContact OE1-NH2 3.47Å; E425-R437 VanDerWaalsContact OE1-NH2 3.15Å; E425-R437 IonicContact OE2-CZ 2.81Å; E425-R437 IonicContact OE2-NH1 2.71Å; E425-R437 PolarHBondContact OE2-NH1 3.26Å; E425-R437 IonicContact OE2-NH2 3.79Å; E425-R437 PolarHBondContact OE2-NH2 2.96Å; D429-R437 IonicContact OD1-CZ 3.35Å; D429-R437 IonicContact OD1-NH1 2.78Å; D429-R437 PolarHBondContact OD1-NH1 3.09Å; D429-R437 WeakPolarHBondContact OD2-CB 3.5Å; D429-R437 PolarHBondContact OD2-N 3.49Å; D429-R437 IonicContact OD2-NH1 3.24Å; R437-M441 HydrophobicContact CB-CB 4.09Å; R437-M441 HydrophobicContact CB-SD 3.9Å; R437-M441 HydrophobicContact CG-SD 4.03Å; R437-W442 HydrophobicContact CB-CZ2 4.48Å; R437-G448 PolarHBondContact NE-O 2.95Å; R437-G448 PolarHBondContact NH2-O 3Å; R437-G448 VanDerWaalsContact NH2-O 3.09Å; R437-T451 PolarHBondContact NE-O 2.96Å; R437-P453 HydrophobicContact CG-CB 4.29Å; R437-P453 HydrophobicContact CG-CG 4.01Å
438	S	94.1	Very high	93.4	Very high	45 Å²	45	39.7 Å²	39.7	32%	0.315	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-70.4	157.7	172.4	69.6	0	0	0	0	112	L440 M441 W442	S438-L440 PolarHBondContact O-N 3.3Å; S438-L440 VanDerWaalsContact O-N 3.12Å; S438-M441 WeakPolarHBondContact O-CB 3.45Å; S438-M441 PolarHBondContact O-N 2.91Å; S438-M441 PolarHBondContact OG-N 3.42Å; S438-W442 PolarHBondContact O-N 2.77Å
439	S	93.4	Very high	93.4	Very high	79 Å²	79	39.6 Å²	39.6	55%	0.552	21%	0.213	S	C	*	.	H	α-helix	trans	-53.2	-34	173	175.9	0	0	0	0	112.7	M441 W442 N443	S439-M441 VanDerWaalsContact C-N 3.34Å; S439-M441 PolarHBondContact O-N 3.26Å; S439-W442 PolarHBondContact O-N 2.91Å; S439-N443 WeakPolarHBondContact O-CB 3.35Å; S439-N443 PolarHBondContact O-N 3.16Å; S439-N443 PolarHBondContact O-ND2 2.98Å; S439-N443 PolarHBondContact OG-ND2 3.47Å
440	L	93.7	Very high	93.3	Very high	63 Å²	63	39.8 Å²	39.8	33%	0.33	21%	0.213	S	C	.	.	H	α-helix	trans	-65.8	-36.8	177.3	-170	70.6	0	0	0	112.2	S438 W442 N443 S444 L459	S438-L440 PolarHBondContact O-N 3.3Å; S438-L440 VanDerWaalsContact O-N 3.12Å; L440-W442 VanDerWaalsContact C-N 3.32Å; L440-N443 PolarHBondContact O-N 3.06Å; L440-S444 VanDerWaalsContact CD1-OG 3.29Å; L440-S444 WeakPolarHBondContact CD1-OG 3.46Å; L440-S444 WeakPolarHBondContact O-CB 3.45Å; L440-S444 PolarHBondContact O-N 3.2Å; L440-S444 VanDerWaalsContact O-N 3.11Å; L440-S444 PolarHBondContact O-OG 3.21Å; L440-L459 HydrophobicContact CB-CD1 4.46Å; L440-L459 HydrophobicContact CD2-CD1 3.59Å; L440-L459 HydrophobicContact CD2-CD2 4.22Å
441	M	95.5	Very high	93.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-37.4	176.4	-68.7	174.7	178	0	0	111.6	R437 S438 S439 G447 G448 T451 T457 L459 F462 F465	R437-M441 HydrophobicContact CB-CB 4.09Å; R437-M441 HydrophobicContact CB-SD 3.9Å; R437-M441 HydrophobicContact CG-SD 4.03Å; S438-M441 WeakPolarHBondContact O-CB 3.45Å; S438-M441 PolarHBondContact O-N 2.91Å; S438-M441 PolarHBondContact OG-N 3.42Å; S439-M441 VanDerWaalsContact C-N 3.34Å; S439-M441 PolarHBondContact O-N 3.26Å; M441-G447 CarbonylContact O-C 3.54Å; M441-G447 WeakPolarHBondContact O-CA 3.36Å; M441-G448 PolarHBondContact O-N 2.83Å; M441-G448 VanDerWaalsContact O-N 3.09Å; M441-T451 HydrophobicContact CB-CG2 4.42Å; M441-T451 HydrophobicContact CG-CG2 4.45Å; M441-T457 WeakPolarHBondContact CE-O 3.32Å; M441-L459 HydrophobicContact CE-CD2 3.65Å; M441-L459 HydrophobicContact CE-CG 4.3Å; M441-L459 HydrophobicContact CG-CD2 3.57Å; M441-L459 HydrophobicContact SD-CD2 4.42Å; M441-F462 HydrophobicContact CE-CE2 3.85Å; M441-F465 HydrophobicContact CB-CZ 4.46Å; M441-F465 HydrophobicContact CG-CE2 4.03Å; M441-F465 HydrophobicContact CG-CZ 4.03Å
442	W	96.5	Very high	93.3	Very high	4 Å²	4	38 Å²	38	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-74.4	-33.2	175.7	-70.2	115.7	0	0	0	113.5	I368 Y412 T422 E425 I426 D429 R437 S438 S439 L440	I368-W442 HydrophobicContact CB-CB 4.16Å; I368-W442 HydrophobicContact CB-CD2 3.92Å; I368-W442 HydrophobicContact CB-CG 3.71Å; I368-W442 HydrophobicContact CD1-CB 4.13Å; I368-W442 HydrophobicContact CD1-CD2 3.8Å; I368-W442 HydrophobicContact CD1-CE3 3.57Å; I368-W442 HydrophobicContact CD1-CG 4.07Å; I368-W442 HydrophobicContact CD1-CZ3 4.18Å; I368-W442 HydrophobicContact CG1-CD2 4.13Å; I368-W442 HydrophobicContact CG1-CE3 4.28Å; I368-W442 HydrophobicContact CG1-CG 4.36Å; I368-W442 HydrophobicContact CG2-CD2 4.33Å; I368-W442 HydrophobicContact CG2-CG 4.29Å; I368-W442 WeakPolarHBondContact O-CB 3.5Å; Y412-W442 AromaticContact CE1-CE3 3.84Å; Y412-W442 HydrophobicContact CE1-CE3 3.84Å; Y412-W442 AromaticContact CE1-CZ3 3.83Å; Y412-W442 HydrophobicContact CE1-CZ3 3.83Å; Y412-W442 WeakPolarHBondContact CE2-O 3.21Å; Y412-W442 AromaticContact CZ-CE3 3.79Å; Y412-W442 WeakPolarHBondContact OH-CA 3.46Å; Y412-W442 PolarHBondContact OH-O 2.72Å; T422-W442 HydrophobicContact CG2-CZ3 4.14Å; E425-W442 HydrophobicContact CB-CH2 3.68Å; E425-W442 HydrophobicContact CB-CZ2 4.38Å; I426-W442 HydrophobicContact CG1-CH2 4.41Å; I426-W442 HydrophobicContact CG1-CZ2 4.46Å; D429-W442 WeakPolarHBondContact OD2-CZ2 3.37Å; D429-W442 PolarHBondContact OD2-NE1 2.72Å; R437-W442 HydrophobicContact CB-CZ2 4.48Å; S438-W442 PolarHBondContact O-N 2.77Å; S439-W442 PolarHBondContact O-N 2.91Å; L440-W442 VanDerWaalsContact C-N 3.32Å
443	N	95.5	Very high	93.4	Very high	18 Å²	18	36.4 Å²	36.4	10%	0.096	20%	0.197	C	C	.	.	S	Bend	trans	-105.2	13.6	-172.2	-67.4	-84.7	0	0	0	114.1	I368 D370 Q404 S439 L440	I368-N443 PolarHBondContact O-ND2 2.97Å; D370-N443 PolarHBondContact N-OD1 3.29Å; D370-N443 VanDerWaalsContact N-OD1 3.08Å; Q404-N443 PolarHBondContact NE2-O 2.64Å; Q404-N443 VanDerWaalsContact NE2-O 3.13Å; S439-N443 WeakPolarHBondContact O-CB 3.35Å; S439-N443 PolarHBondContact O-N 3.16Å; S439-N443 PolarHBondContact O-ND2 2.98Å; S439-N443 PolarHBondContact OG-ND2 3.47Å; L440-N443 PolarHBondContact O-N 3.06Å
444	S	93.6	Very high	93.6	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.014	20%	0.195	C	C	.	.	S	Bend	trans	-131.9	144.6	179.1	-60.4	0	0	0	0	111.2	L440 G447 K468	L440-S444 VanDerWaalsContact CD1-OG 3.29Å; L440-S444 WeakPolarHBondContact CD1-OG 3.46Å; L440-S444 WeakPolarHBondContact O-CB 3.45Å; L440-S444 PolarHBondContact O-N 3.2Å; L440-S444 VanDerWaalsContact O-N 3.11Å; L440-S444 PolarHBondContact O-OG 3.21Å; S444-G447 VanDerWaalsContact O-CA 3.28Å; S444-G447 WeakPolarHBondContact O-CA 3.26Å; S444-G447 PolarHBondContact O-N 3.32Å; S444-K468 PolarHBondContact OG-NZ 3.06Å
445	L	91.4	Very high	93.9	Very high	83 Å²	83	33.6 Å²	33.6	44%	0.435	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	138.1	169.9	-71.9	172.5	0	0	0	110.2	L407	L407-L445 HydrophobicContact CD1-CD2 4.41Å; L407-L445 HydrophobicContact CD1-CG 3.91Å; L407-L445 HydrophobicContact CG-CD2 3.91Å; L407-L445 HydrophobicContact CG-CG 3.98Å
446	P	94.3	Very high	94.1	Very high	10 Å²	10	32 Å²	32	7%	0.065	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85	-1.5	7.3	37.7	-40.4	0	0	0	114.8	F450 T451 F464 V661	P446-F450 HydrophobicContact CB-CB 3.89Å; P446-F450 HydrophobicContact CB-CD2 4.09Å; P446-F450 HydrophobicContact CB-CG 4.38Å; P446-F450 HydrophobicContact CG-CB 3.67Å; P446-T451 HydrophobicContact CG-CG2 4.25Å; P446-F464 VanDerWaalsContact CD-CG 3.48Å; P446-F464 HydrophobicContact CG-CD1 4.06Å; P446-F464 HydrophobicContact CG-CD2 4.26Å; P446-F464 HydrophobicContact CG-CE1 3.71Å; P446-F464 HydrophobicContact CG-CE2 3.92Å; P446-F464 HydrophobicContact CG-CG 4.31Å; P446-F464 HydrophobicContact CG-CZ 3.63Å; P446-V661 HydrophobicContact CB-CG1 3.77Å; P446-V661 WeakPolarHBondContact CB-O 3.49Å; P446-V661 HydrophobicContact CG-CG1 3.91Å
447	G	94.8	Very high	94	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	17%	0.172	C	C	.	.			trans	91.4	161	-174.6	0	0	0	0	0	113.5	Y412 M441 S444 L449 F450 T451	Y412-G447 VanDerWaalsContact OH-CA 3.24Å; Y412-G447 WeakPolarHBondContact OH-CA 3.45Å; M441-G447 CarbonylContact O-C 3.54Å; M441-G447 WeakPolarHBondContact O-CA 3.36Å; S444-G447 VanDerWaalsContact O-CA 3.28Å; S444-G447 WeakPolarHBondContact O-CA 3.26Å; S444-G447 PolarHBondContact O-N 3.32Å; G447-L449 PolarHBondContact O-N 3.38Å; G447-F450 PolarHBondContact O-N 3.45Å; G447-T451 PolarHBondContact O-N 3.1Å; G447-T451 PolarHBondContact O-OG1 3.07Å
448	G	95.2	Very high	94	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.8	-36.6	177.6	0	0	0	0	0	116.9	Y412 R437 M441 F450 T451	Y412-G448 PolarHBondContact OH-N 3.21Å; R437-G448 PolarHBondContact NE-O 2.95Å; R437-G448 PolarHBondContact NH2-O 3Å; R437-G448 VanDerWaalsContact NH2-O 3.09Å; M441-G448 PolarHBondContact O-N 2.83Å; M441-G448 VanDerWaalsContact O-N 3.09Å; G448-F450 PolarHBondContact O-N 3.04Å; G448-T451 WeakPolarHBondContact CA-OG1 3.19Å; G448-T451 PolarHBondContact O-N 3.5Å; G448-T451 PolarHBondContact O-OG1 2.99Å
449	L	94.9	Very high	94	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.042	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25	-178.9	-61.2	-173.2	0	0	0	113.4	A411 Y412 K418 L421 E425 G447 Y634	A411-L449 VanDerWaalsContact O-CD1 3.32Å; A411-L449 WeakPolarHBondContact O-CD1 3.17Å; Y412-L449 HydrophobicContact CD1-CG 4.35Å; Y412-L449 HydrophobicContact CE1-CG 4.23Å; K418-L449 HydrophobicContact CB-CD1 4.14Å; K418-L449 HydrophobicContact CG-CD1 3.91Å; L421-L449 HydrophobicContact CB-CD2 3.99Å; E425-L449 HydrophobicContact CG-CD2 3.91Å; G447-L449 PolarHBondContact O-N 3.38Å; L449-Y634 WeakPolarHBondContact O-CE2 3.43Å
450	F	95.2	Very high	94	Very high	18 Å²	18	34 Å²	34	8%	0.079	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-3.1	179.7	-64.8	-67.1	0	0	0	113.5	P446 G447 G448 Y626 Y634 V661	P446-F450 HydrophobicContact CB-CB 3.89Å; P446-F450 HydrophobicContact CB-CD2 4.09Å; P446-F450 HydrophobicContact CB-CG 4.38Å; P446-F450 HydrophobicContact CG-CB 3.67Å; G447-F450 PolarHBondContact O-N 3.45Å; G448-F450 PolarHBondContact O-N 3.04Å; F450-Y626 WeakPolarHBondContact O-CE1 3.43Å; F450-Y626 PolarHBondContact O-OH 3.06Å; F450-Y634 HydrophobicContact CD1-CE1 4.26Å; F450-Y634 HydrophobicContact CD1-CE2 4.1Å; F450-Y634 AromaticContact CD1-CZ 3.9Å; F450-Y634 HydrophobicContact CE1-CD1 4.47Å; F450-Y634 AromaticContact CE1-CE1 3.65Å; F450-Y634 HydrophobicContact CE1-CE1 3.65Å; F450-Y634 HydrophobicContact CE1-CE2 4.09Å; F450-Y634 AromaticContact CE1-CZ 3.42Å; F450-Y634 VanDerWaalsContact CE1-CZ 3.42Å; F450-Y634 VanDerWaalsContact CE1-OH 3.28Å; F450-Y634 WeakPolarHBondContact CE1-OH 3.24Å; F450-V661 HydrophobicContact CB-CG1 4.2Å; F450-V661 HydrophobicContact CB-CG2 4.37Å; F450-V661 HydrophobicContact CD1-CG2 3.64Å; F450-V661 HydrophobicContact CE1-CG2 4.01Å; F450-V661 HydrophobicContact CG-CG1 4.47Å; F450-V661 HydrophobicContact CG-CG2 4.02Å
451	T	95.3	Very high	94.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.			trans	-100.8	86	170.6	51.6	0	0	0	0	108.9	R437 M441 P446 G447 G448 P453 F464 F465	R437-T451 PolarHBondContact NE-O 2.96Å; M441-T451 HydrophobicContact CB-CG2 4.42Å; M441-T451 HydrophobicContact CG-CG2 4.45Å; P446-T451 HydrophobicContact CG-CG2 4.25Å; G447-T451 PolarHBondContact O-N 3.1Å; G447-T451 PolarHBondContact O-OG1 3.07Å; G448-T451 WeakPolarHBondContact CA-OG1 3.19Å; G448-T451 PolarHBondContact O-N 3.5Å; G448-T451 PolarHBondContact O-OG1 2.99Å; T451-P453 WeakPolarHBondContact O-CD 3.35Å; T451-F464 HydrophobicContact CG2-CE2 3.41Å; T451-F464 VanDerWaalsContact CG2-CE2 3.41Å; T451-F464 HydrophobicContact CG2-CZ 3.51Å; T451-F465 HydrophobicContact CG2-CE2 3.96Å; T451-F465 HydrophobicContact CG2-CZ 3.84Å
452	L	94.1	Very high	94.1	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.042	16%	0.164	C	C	.	.			trans	-81	115.4	-175	-57	-175.7	0	0	0	110.8	R454 Y455 Y626 Y629 L630 Y634	L452-R454 PolarHBondContact O-N 3.34Å; L452-Y455 WeakPolarHBondContact O-CB 3.33Å; L452-Y455 PolarHBondContact O-N 3.47Å; L452-Y626 PolarHBondContact N-OH 3.5Å; L452-Y629 HydrophobicContact CB-CE1 4.1Å; L452-Y629 HydrophobicContact CD1-CD1 4.23Å; L452-Y629 HydrophobicContact CD1-CE1 3.81Å; L452-L630 HydrophobicContact CD1-CD2 3.71Å; L452-L630 HydrophobicContact CG-CD2 4.08Å; L452-Y634 HydrophobicContact CD1-CD2 4.49Å
453	P	92.3	Very high	94.1	Very high	10 Å²	10	33.4 Å²	33.4	7%	0.065	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.4	-176.5	28.8	-36.3	0	0	0	113.2	N435 R437 T451 Y455 S456	N435-P453 HydrophobicContact CB-CB 4.47Å; N435-P453 WeakPolarHBondContact O-CB 3.31Å; N435-P453 WeakPolarHBondContact O-CG 3.25Å; R437-P453 HydrophobicContact CG-CB 4.29Å; R437-P453 HydrophobicContact CG-CG 4.01Å; T451-P453 WeakPolarHBondContact O-CD 3.35Å; P453-Y455 PolarHBondContact O-N 3.14Å; P453-S456 CarbonylContact O-C 3.4Å; P453-S456 PolarHBondContact O-N 3.09Å
454	R	91.3	Very high	94	Very high	180 Å²	180	34 Å²	34	68%	0.679	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.4	169.8	-64	-169.4	86	-176.4	8.6	113.3	L452 Y629	L452-R454 PolarHBondContact O-N 3.34Å; R454-Y629 WeakPolarHBondContact CB-OH 3.09Å; R454-Y629 PolarHBondContact O-OH 3.35Å
455	Y	94.3	Very high	94.1	Very high	59 Å²	59	33.9 Å²	33.9	23%	0.231	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-54.9	170.9	176	-107.3	0	0	0	110.8	L452 P453 D461 F462 K625 Y626 Y629	L452-Y455 WeakPolarHBondContact O-CB 3.33Å; L452-Y455 PolarHBondContact O-N 3.47Å; P453-Y455 PolarHBondContact O-N 3.14Å; Y455-D461 HydrophobicContact CE1-CB 4.06Å; Y455-F462 HydrophobicContact CD1-CD1 4.37Å; Y455-F462 AromaticContact CD1-CE1 3.82Å; Y455-F462 HydrophobicContact CD1-CE1 3.82Å; Y455-F462 AromaticContact CD1-CZ 3.98Å; Y455-F462 HydrophobicContact CD1-CZ 3.98Å; Y455-K625 VanDerWaalsContact OH-CE 3.31Å; Y455-K625 WeakPolarHBondContact OH-CE 3.5Å; Y455-Y626 AromaticContact CD1-CD2 3.31Å; Y455-Y626 HydrophobicContact CD1-CD2 3.31Å; Y455-Y626 AromaticContact CD1-CE2 3.47Å; Y455-Y626 HydrophobicContact CD1-CE2 3.47Å; Y455-Y626 VanDerWaalsContact CD1-CE2 3.47Å; Y455-Y626 HydrophobicContact CD1-CG 4.35Å; Y455-Y626 AromaticContact CD2-CD2 3.83Å; Y455-Y626 HydrophobicContact CD2-CD2 3.83Å; Y455-Y626 HydrophobicContact CD2-CE2 4.1Å; Y455-Y626 AromaticContact CE1-CD2 3.42Å; Y455-Y626 HydrophobicContact CE1-CD2 3.42Å; Y455-Y626 VanDerWaalsContact CE1-CD2 3.42Å; Y455-Y626 HydrophobicContact CE1-CE2 4.08Å; Y455-Y626 HydrophobicContact CE1-CG 4.14Å; Y455-Y626 AromaticContact CE2-CD2 3.93Å; Y455-Y626 HydrophobicContact CE2-CD2 3.93Å; Y455-Y626 AromaticContact CG-CD2 3.52Å; Y455-Y626 HydrophobicContact CG-CD2 3.52Å; Y455-Y626 AromaticContact CG-CE2 3.47Å; Y455-Y626 HydrophobicContact CG-CE2 3.47Å; Y455-Y626 VanDerWaalsContact CG-CE2 3.47Å; Y455-Y626 AromaticContact CZ-CD2 3.73Å; Y455-Y629 HydrophobicContact CD2-CD1 4.13Å; Y455-Y629 AromaticContact CD2-CD2 3.75Å; Y455-Y629 HydrophobicContact CD2-CD2 3.75Å; Y455-Y629 HydrophobicContact CD2-CE2 4.33Å; Y455-Y629 AromaticContact CD2-CG 3.62Å; Y455-Y629 HydrophobicContact CD2-CG 3.62Å; Y455-Y629 HydrophobicContact CE2-CG 4.43Å; Y455-Y629 HydrophobicContact CG-CD1 4.3Å; Y455-Y629 HydrophobicContact CG-CG 4.25Å
456	S	93.8	Very high	94.3	Very high	18 Å²	18	30.2 Å²	30.2	13%	0.126	15%	0.145	C	C	.	.			trans	-162.7	147.8	175.1	-178.7	0	0	0	0	110.4	P453 H458 D461 F462	P453-S456 CarbonylContact O-C 3.4Å; P453-S456 PolarHBondContact O-N 3.09Å; S456-H458 PolarHBondContact OG-N 3.45Å; S456-D461 WeakPolarHBondContact CB-OD2 3.3Å; S456-D461 PolarHBondContact OG-OD2 3.46Å; S456-F462 WeakPolarHBondContact O-CE2 3.44Å; S456-F462 VanDerWaalsContact O-CZ 3.26Å; S456-F462 WeakPolarHBondContact O-CZ 3.41Å
457	T	90.9	Very high	94.1	Very high	76 Å²	76	34.4 Å²	34.4	47%	0.466	18%	0.18	S	C	.	.	S	Bend	trans	-89.8	-12.1	167.7	54.9	0	0	0	0	112	M441	M441-T457 WeakPolarHBondContact CE-O 3.32Å
458	H	93.4	Very high	93.9	Very high	113 Å²	113	40.2 Å²	40.2	52%	0.523	21%	0.206	S	C	.	.			trans	-83.9	122	178.3	-172.7	64.6	0	0	0	111.2	S456 G460 D461 F462	S456-H458 PolarHBondContact OG-N 3.45Å; H458-G460 PolarHBondContact CD2-N 2.88Å; H458-G460 VanDerWaalsContact CD2-N 3.29Å; H458-G460 PolarHBondContact NE2-N 3.3Å; H458-G460 PolarHBondContact O-N 3.28Å; H458-D461 IonicContact CD2-OD1 2.77Å; H458-D461 PolarHBondContact O-N 2.97Å; H458-D461 VanDerWaalsContact O-N 3.16Å; H458-F462 WeakPolarHBondContact O-CD2 3.32Å
459	L	94.3	Very high	93.9	Very high	33 Å²	33	43.7 Å²	43.7	17%	0.173	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-59.7	-32	-179.2	-65.4	165.7	0	0	0	112.7	L440 M441 D461 F462 F465 L469	L440-L459 HydrophobicContact CB-CD1 4.46Å; L440-L459 HydrophobicContact CD2-CD1 3.59Å; L440-L459 HydrophobicContact CD2-CD2 4.22Å; M441-L459 HydrophobicContact CE-CD2 3.65Å; M441-L459 HydrophobicContact CE-CG 4.3Å; M441-L459 HydrophobicContact CG-CD2 3.57Å; M441-L459 HydrophobicContact SD-CD2 4.42Å; L459-D461 PolarHBondContact O-N 3.13Å; L459-D461 VanDerWaalsContact O-N 3.15Å; L459-F462 PolarHBondContact O-N 3.04Å; L459-F465 HydrophobicContact CB-CB 4.42Å; L459-F465 HydrophobicContact CB-CD2 3.97Å; L459-F465 HydrophobicContact CB-CG 4.37Å; L459-F465 HydrophobicContact CD2-CD2 3.58Å; L459-F465 HydrophobicContact CD2-CE1 4.49Å; L459-F465 HydrophobicContact CD2-CE2 3.44Å; L459-F465 VanDerWaalsContact CD2-CE2 3.44Å; L459-F465 HydrophobicContact CD2-CG 4.19Å; L459-F465 HydrophobicContact CD2-CZ 3.95Å; L459-F465 HydrophobicContact CG-CD2 4.41Å; L459-F465 WeakPolarHBondContact O-CD2 3.17Å; L459-L469 HydrophobicContact CB-CD1 3.81Å; L459-L469 HydrophobicContact CD1-CD2 4.45Å
460	G	94.1	Very high	93.8	Very high	9 Å²	9	46.6 Å²	46.6	9%	0.093	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-69.8	-2.7	179.9	0	0	0	0	0	115.3	H458 Y466	H458-G460 PolarHBondContact CD2-N 2.88Å; H458-G460 VanDerWaalsContact CD2-N 3.29Å; H458-G460 PolarHBondContact NE2-N 3.3Å; H458-G460 PolarHBondContact O-N 3.28Å; G460-Y466 WeakPolarHBondContact O-CE1 3.4Å
461	D	95.1	Very high	93.7	Very high	53 Å²	53	49.2 Å²	49.2	28%	0.283	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-93.4	-6.6	174.9	-62.3	-24.2	0	0	0	112.5	Y455 S456 H458 L459 H624	Y455-D461 HydrophobicContact CE1-CB 4.06Å; S456-D461 WeakPolarHBondContact CB-OD2 3.3Å; S456-D461 PolarHBondContact OG-OD2 3.46Å; H458-D461 IonicContact CD2-OD1 2.77Å; H458-D461 PolarHBondContact O-N 2.97Å; H458-D461 VanDerWaalsContact O-N 3.16Å; L459-D461 PolarHBondContact O-N 3.13Å; L459-D461 VanDerWaalsContact O-N 3.15Å; D461-H624 PolarHBondContact O-CE1 3.11Å; D461-H624 VanDerWaalsContact O-CE1 3.23Å
462	F	96.6	Very high	93.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-106.5	132.6	179	-57	-91.7	0	0	0	111.1	M441 Y455 S456 H458 L459 F464 F465 Y466 Y626	M441-F462 HydrophobicContact CE-CE2 3.85Å; Y455-F462 HydrophobicContact CD1-CD1 4.37Å; Y455-F462 AromaticContact CD1-CE1 3.82Å; Y455-F462 HydrophobicContact CD1-CE1 3.82Å; Y455-F462 AromaticContact CD1-CZ 3.98Å; Y455-F462 HydrophobicContact CD1-CZ 3.98Å; S456-F462 WeakPolarHBondContact O-CE2 3.44Å; S456-F462 VanDerWaalsContact O-CZ 3.26Å; S456-F462 WeakPolarHBondContact O-CZ 3.41Å; H458-F462 WeakPolarHBondContact O-CD2 3.32Å; L459-F462 PolarHBondContact O-N 3.04Å; F462-F464 VanDerWaalsContact C-N 3.27Å; F462-F464 HydrophobicContact CB-CD2 4.13Å; F462-F464 HydrophobicContact CB-CE1 4.12Å; F462-F464 HydrophobicContact CB-CE2 3.55Å; F462-F464 HydrophobicContact CB-CZ 3.56Å; F462-F464 HydrophobicContact CD1-CE1 4.39Å; F462-F464 HydrophobicContact CD1-CE2 4.29Å; F462-F464 AromaticContact CD1-CZ 3.66Å; F462-F464 HydrophobicContact CD1-CZ 3.66Å; F462-F464 HydrophobicContact CG-CE2 4.09Å; F462-F464 AromaticContact CG-CZ 3.9Å; F462-F464 HydrophobicContact CG-CZ 3.9Å; F462-F464 PolarHBondContact O-N 3.41Å; F462-F465 HydrophobicContact CB-CD2 3.73Å; F462-F465 HydrophobicContact CB-CE2 4.12Å; F462-F465 HydrophobicContact CD2-CD2 4.13Å; F462-F465 HydrophobicContact CD2-CE2 4.16Å; F462-F465 HydrophobicContact CG-CD2 4.23Å; F462-F465 HydrophobicContact CG-CE2 4.26Å; F462-F465 PolarHBondContact O-N 2.87Å; F462-Y466 WeakPolarHBondContact O-CD1 3.3Å; F462-Y466 VanDerWaalsContact O-CE1 3.27Å; F462-Y466 WeakPolarHBondContact O-CE1 3.37Å; F462-Y626 AromaticContact CD1-CD1 3.99Å; F462-Y626 HydrophobicContact CD1-CD1 3.99Å; F462-Y626 HydrophobicContact CD1-CD2 4.3Å; F462-Y626 AromaticContact CD1-CE1 3.65Å; F462-Y626 HydrophobicContact CD1-CE1 3.65Å; F462-Y626 HydrophobicContact CD1-CE2 4.03Å; F462-Y626 HydrophobicContact CD1-CG 4.3Å; F462-Y626 AromaticContact CD1-CZ 3.69Å; F462-Y626 HydrophobicContact CE1-CD2 4.28Å; F462-Y626 AromaticContact CE1-CE1 3.94Å; F462-Y626 HydrophobicContact CE1-CE1 3.94Å; F462-Y626 AromaticContact CE1-CE2 3.65Å; F462-Y626 HydrophobicContact CE1-CE2 3.65Å; F462-Y626 AromaticContact CE1-CZ 3.45Å; F462-Y626 VanDerWaalsContact CE1-CZ 3.45Å
463	P	95.8	Very high	93.5	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.019	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-67.1	-28.1	-168.9	25.3	-33.6	0	0	0	113.6	F465 Y466 P583 D584 H624	P463-F465 VanDerWaalsContact C-N 3.32Å; P463-F465 PolarHBondContact O-N 2.79Å; P463-Y466 HydrophobicContact CB-CE2 4.48Å; P463-P583 HydrophobicContact CB-CB 4.46Å; P463-P583 WeakPolarHBondContact CB-O 3.33Å; P463-D584 HydrophobicContact CB-CB 4.23Å; P463-H624 HydrophobicContact CB-CB 3.99Å; P463-H624 HydrophobicContact CG-CB 3.9Å
464	F	94.2	Very high	93.6	Very high	30 Å²	30	63.5 Å²	63.5	13%	0.132	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-81	-7	-176.4	41.7	-103.8	0	0	0	113.9	P446 T451 F462 Y626 V661	P446-F464 VanDerWaalsContact CD-CG 3.48Å; P446-F464 HydrophobicContact CG-CD1 4.06Å; P446-F464 HydrophobicContact CG-CD2 4.26Å; P446-F464 HydrophobicContact CG-CE1 3.71Å; P446-F464 HydrophobicContact CG-CE2 3.92Å; P446-F464 HydrophobicContact CG-CG 4.31Å; P446-F464 HydrophobicContact CG-CZ 3.63Å; T451-F464 HydrophobicContact CG2-CE2 3.41Å; T451-F464 VanDerWaalsContact CG2-CE2 3.41Å; T451-F464 HydrophobicContact CG2-CZ 3.51Å; F462-F464 VanDerWaalsContact C-N 3.27Å; F462-F464 HydrophobicContact CB-CD2 4.13Å; F462-F464 HydrophobicContact CB-CE1 4.12Å; F462-F464 HydrophobicContact CB-CE2 3.55Å; F462-F464 HydrophobicContact CB-CZ 3.56Å; F462-F464 HydrophobicContact CD1-CE1 4.39Å; F462-F464 HydrophobicContact CD1-CE2 4.29Å; F462-F464 AromaticContact CD1-CZ 3.66Å; F462-F464 HydrophobicContact CD1-CZ 3.66Å; F462-F464 HydrophobicContact CG-CE2 4.09Å; F462-F464 AromaticContact CG-CZ 3.9Å; F462-F464 HydrophobicContact CG-CZ 3.9Å; F462-F464 PolarHBondContact O-N 3.41Å; F464-Y626 HydrophobicContact CE1-CD1 4.27Å; F464-Y626 HydrophobicContact CE1-CE1 4.13Å; F464-Y626 HydrophobicContact CZ-CE1 4.32Å; F464-V661 HydrophobicContact CE1-CG1 4.4Å
465	F	95.4	Very high	93.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-94.7	-10.6	174.4	-65.6	-46.4	0	0	0	114	M441 T451 L459 F462 P463 A467 K468 L469	M441-F465 HydrophobicContact CB-CZ 4.46Å; M441-F465 HydrophobicContact CG-CE2 4.03Å; M441-F465 HydrophobicContact CG-CZ 4.03Å; T451-F465 HydrophobicContact CG2-CE2 3.96Å; T451-F465 HydrophobicContact CG2-CZ 3.84Å; L459-F465 HydrophobicContact CB-CB 4.42Å; L459-F465 HydrophobicContact CB-CD2 3.97Å; L459-F465 HydrophobicContact CB-CG 4.37Å; L459-F465 HydrophobicContact CD2-CD2 3.58Å; L459-F465 HydrophobicContact CD2-CE1 4.49Å; L459-F465 HydrophobicContact CD2-CE2 3.44Å; L459-F465 VanDerWaalsContact CD2-CE2 3.44Å; L459-F465 HydrophobicContact CD2-CG 4.19Å; L459-F465 HydrophobicContact CD2-CZ 3.95Å; L459-F465 HydrophobicContact CG-CD2 4.41Å; L459-F465 WeakPolarHBondContact O-CD2 3.17Å; F462-F465 HydrophobicContact CB-CD2 3.73Å; F462-F465 HydrophobicContact CB-CE2 4.12Å; F462-F465 HydrophobicContact CD2-CD2 4.13Å; F462-F465 HydrophobicContact CD2-CE2 4.16Å; F462-F465 HydrophobicContact CG-CD2 4.23Å; F462-F465 HydrophobicContact CG-CE2 4.26Å; F462-F465 PolarHBondContact O-N 2.87Å; P463-F465 VanDerWaalsContact C-N 3.32Å; P463-F465 PolarHBondContact O-N 2.79Å; F465-A467 PolarHBondContact O-N 3.17Å; F465-K468 PolarHBondContact O-N 2.77Å; F465-K468 VanDerWaalsContact O-N 3.11Å; F465-L469 HydrophobicContact CB-CD1 4.01Å; F465-L469 HydrophobicContact CB-CG 4.38Å; F465-L469 WeakPolarHBondContact O-CG 3.14Å; F465-L469 PolarHBondContact O-N 3.26Å
466	Y	94.7	Very high	94	Very high	6 Å²	6	59.7 Å²	59.7	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-56.2	-48.8	-173.7	-67.5	-4.3	0	0	0	113.3	G460 F462 P463 K468 L469 G470 I471 P473 P583 H624	G460-Y466 WeakPolarHBondContact O-CE1 3.4Å; F462-Y466 WeakPolarHBondContact O-CD1 3.3Å; F462-Y466 VanDerWaalsContact O-CE1 3.27Å; F462-Y466 WeakPolarHBondContact O-CE1 3.37Å; P463-Y466 HydrophobicContact CB-CE2 4.48Å; Y466-K468 VanDerWaalsContact C-N 3.34Å; Y466-K468 PolarHBondContact O-N 2.88Å; Y466-L469 PolarHBondContact O-N 3.04Å; Y466-G470 PolarHBondContact O-N 3.44Å; Y466-I471 HydrophobicContact CD1-CD1 3.71Å; Y466-I471 HydrophobicContact CD1-CG1 3.83Å; Y466-I471 HydrophobicContact CE1-CD1 4.14Å; Y466-I471 HydrophobicContact CG-CG1 4.19Å; Y466-I471 PolarHBondContact O-N 3.49Å; Y466-I471 VanDerWaalsContact O-N 3.11Å; Y466-P473 HydrophobicContact CD2-CB 4.24Å; Y466-P473 HydrophobicContact CD2-CG 4.49Å; Y466-P473 HydrophobicContact CE2-CB 3.71Å; Y466-P473 HydrophobicContact CE2-CG 4.4Å; Y466-P583 HydrophobicContact CD2-CB 3.81Å; Y466-P583 HydrophobicContact CD2-CG 3.61Å; Y466-P583 HydrophobicContact CE2-CB 3.9Å; Y466-P583 HydrophobicContact CE2-CG 4.24Å; Y466-H624 AromaticContact CZ-NE2 3.97Å; Y466-H624 PolarHBondContact OH-NE2 3.43Å
467	A	91.3	Very high	94.2	Very high	97 Å²	97	58.9 Å²	58.9	80%	0.802	32%	0.321	S	S	*	.	H	α-helix	trans	-62.1	-39.1	179.3	0	0	0	0	0	112.7	F465 G470	F465-A467 PolarHBondContact O-N 3.17Å; A467-G470 PolarHBondContact O-N 2.82Å
468	K	90.8	Very high	94.6	Very high	124 Å²	124	55.2 Å²	55.2	54%	0.539	30%	0.298	S	S	.	.	H	α-helix	trans	-70.6	-34.9	178.9	-68.4	-167.2	-179.7	-164.1	0	112.4	S444 F465 Y466 G470	S444-K468 PolarHBondContact OG-NZ 3.06Å; F465-K468 PolarHBondContact O-N 2.77Å; F465-K468 VanDerWaalsContact O-N 3.11Å; Y466-K468 VanDerWaalsContact C-N 3.34Å; Y466-K468 PolarHBondContact O-N 2.88Å; K468-G470 VanDerWaalsContact C-N 3.35Å
469	L	93.5	Very high	94.8	Very high	72 Å²	72	49.9 Å²	49.9	38%	0.377	27%	0.274	S	S	.	.	H	α-helix	trans	-83.6	-11.6	178.6	-64.4	174.7	0	0	0	112.9	L459 F465 Y466 I471	L459-L469 HydrophobicContact CB-CD1 3.81Å; L459-L469 HydrophobicContact CD1-CD2 4.45Å; F465-L469 HydrophobicContact CB-CD1 4.01Å; F465-L469 HydrophobicContact CB-CG 4.38Å; F465-L469 WeakPolarHBondContact O-CG 3.14Å; F465-L469 PolarHBondContact O-N 3.26Å; Y466-L469 PolarHBondContact O-N 3.04Å; L469-I471 HydrophobicContact CB-CD1 4.18Å; L469-I471 HydrophobicContact CB-CG1 3.96Å; L469-I471 HydrophobicContact CB-CG2 4.1Å; L469-I471 HydrophobicContact CD1-CD1 3.8Å; L469-I471 HydrophobicContact CD1-CG1 4.44Å; L469-I471 PolarHBondContact O-N 3.14Å
470	G	93.3	Very high	95	Very high	70 Å²	70	48.3 Å²	48.3	72%	0.722	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	20.9	-174	0	0	0	0	0	113.6	Y466 A467 K468	Y466-G470 PolarHBondContact O-N 3.44Å; A467-G470 PolarHBondContact O-N 2.82Å; K468-G470 VanDerWaalsContact C-N 3.35Å
471	I	93.8	Very high	95.1	Very high	72 Å²	72	47.9 Å²	47.9	37%	0.369	26%	0.261	S	S	.	.			trans	-97.9	157.1	178.5	66.7	178.5	0	0	0	110.6	Y466 L469	Y466-I471 HydrophobicContact CD1-CD1 3.71Å; Y466-I471 HydrophobicContact CD1-CG1 3.83Å; Y466-I471 HydrophobicContact CE1-CD1 4.14Å; Y466-I471 HydrophobicContact CG-CG1 4.19Å; Y466-I471 PolarHBondContact O-N 3.49Å; Y466-I471 VanDerWaalsContact O-N 3.11Å; L469-I471 HydrophobicContact CB-CD1 4.18Å; L469-I471 HydrophobicContact CB-CG1 3.96Å; L469-I471 HydrophobicContact CB-CG2 4.1Å; L469-I471 HydrophobicContact CD1-CD1 3.8Å; L469-I471 HydrophobicContact CD1-CG1 4.44Å; L469-I471 PolarHBondContact O-N 3.14Å
472	K	91.2	Very high	95.1	Very high	190 Å²	190	46.1 Å²	46.1	83%	0.826	25%	0.251	S	S	*	.			trans	-109.7	149.5	174.4	-68.4	-175.1	179.2	-178.2	0	109.9
473	P	93.1	Very high	94.9	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.071	25%	0.252	C	S	.	.			trans	-58.1	157.9	172.7	22.4	-31.8	0	0	0	111.6	Y466 W579 Q580 P583	Y466-P473 HydrophobicContact CD2-CB 4.24Å; Y466-P473 HydrophobicContact CD2-CG 4.49Å; Y466-P473 HydrophobicContact CE2-CB 3.71Å; Y466-P473 HydrophobicContact CE2-CG 4.4Å; P473-W579 HydrophobicContact CB-CH2 3.76Å; P473-W579 HydrophobicContact CB-CZ3 3.6Å; P473-W579 HydrophobicContact CG-CH2 4.37Å; P473-W579 HydrophobicContact CG-CZ3 3.86Å; P473-Q580 HydrophobicContact CG-CB 4.28Å; P473-Q580 HydrophobicContact CG-CG 4.24Å; P473-P583 HydrophobicContact CG-CB 4.37Å
474	Y	94.3	Very high	94.6	Very high	117 Å²	117	48.3 Å²	48.3	46%	0.459	26%	0.264	S	S	.	.			trans	-49.9	136.4	171.2	-168.9	-107.9	0	0	0	111.6	K476 T555 D556	Y474-K476 HydrophobicContact CD1-CB 4.09Å; Y474-K476 HydrophobicContact CE1-CB 3.82Å; Y474-K476 HydrophobicContact CE1-CG 4.43Å; Y474-K476 PolarHBondContact O-N 2.96Å; Y474-T555 HydrophobicContact CD1-CG2 3.76Å; Y474-T555 HydrophobicContact CE1-CG2 3.78Å; Y474-D556 WeakPolarHBondContact CB-OD2 3.21Å; Y474-D556 PolarHBondContact N-OD2 2.99Å; Y474-D556 VanDerWaalsContact N-OD2 3.15Å
475	P	96.6	Very high	94.4	Very high	75 Å²	75	49.4 Å²	49.4	49%	0.487	27%	0.274	S	S	.	.	S	Bend	trans	-78.1	8.3	-167.8	32.1	-37.8	0	0	0	114.8	F576	P475-F576 VanDerWaalsContact O-CE1 3.27Å; P475-F576 WeakPolarHBondContact O-CE1 3.47Å
476	K	97.9	Very high	94	Very high	85 Å²	85	52 Å²	52	37%	0.37	29%	0.29	S	S	.	.			trans	-134.8	161	178.8	-63.5	-171.2	177	-173.2	0	111.1	Y474 Y506 A508 T555	Y474-K476 HydrophobicContact CD1-CB 4.09Å; Y474-K476 HydrophobicContact CE1-CB 3.82Å; Y474-K476 HydrophobicContact CE1-CG 4.43Å; Y474-K476 PolarHBondContact O-N 2.96Å; K476-Y506 CarbonylContact C-O 3.05Å; K476-Y506 WeakPolarHBondContact CA-O 3.34Å; K476-Y506 WeakPolarHBondContact CB-O 3.09Å; K476-A508 HydrophobicContact CB-CB 3.94Å; K476-A508 HydrophobicContact CD-CB 4.13Å; K476-T555 HydrophobicContact CB-CG2 4.43Å; K476-T555 WeakPolarHBondContact O-CB 3.11Å
477	F	98.3	Very high	93.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	159.9	175.7	66.9	-96.8	0	0	0	112.2	A479 V501 Y506 C507 A508 A557 L559 V572 F576	F477-A479 HydrophobicContact CD2-CB 4.41Å; F477-A479 HydrophobicContact CE2-CB 4.1Å; F477-V501 HydrophobicContact CE2-CG1 4.06Å; F477-V501 HydrophobicContact CZ-CG1 4.41Å; F477-Y506 WeakPolarHBondContact CD1-O 2.93Å; F477-Y506 PolarHBondContact N-O 3.49Å; F477-C507 HydrophobicContact CE1-CB 4.43Å; F477-C507 HydrophobicContact CE2-CB 3.97Å; F477-C507 HydrophobicContact CZ-CB 3.76Å; F477-A508 WeakPolarHBondContact O-CB 3.34Å; F477-A508 PolarHBondContact O-N 3.32Å; F477-A557 WeakPolarHBondContact CA-O 3.38Å; F477-A557 HydrophobicContact CB-CB 3.63Å; F477-A557 WeakPolarHBondContact CB-O 3.16Å; F477-L559 HydrophobicContact CD2-CB 3.7Å; F477-L559 HydrophobicContact CD2-CD2 4.22Å; F477-L559 HydrophobicContact CE2-CB 4Å; F477-L559 HydrophobicContact CE2-CD2 3.64Å; F477-L559 HydrophobicContact CE2-CG 4.48Å; F477-L559 HydrophobicContact CG-CB 4.41Å; F477-L559 HydrophobicContact CZ-CD2 4.03Å; F477-V572 HydrophobicContact CE1-CG1 3.88Å; F477-V572 HydrophobicContact CE2-CG1 4.35Å; F477-V572 HydrophobicContact CZ-CG1 3.44Å; F477-V572 VanDerWaalsContact CZ-CG1 3.44Å; F477-F576 HydrophobicContact CB-CD2 3.91Å; F477-F576 HydrophobicContact CB-CE2 3.83Å; F477-F576 HydrophobicContact CD1-CB 4.05Å; F477-F576 HydrophobicContact CD1-CD1 4.3Å; F477-F576 AromaticContact CD1-CD2 3.57Å; F477-F576 HydrophobicContact CD1-CD2 3.57Å; F477-F576 HydrophobicContact CD1-CE2 4.07Å; F477-F576 AromaticContact CD1-CG 3.69Å; F477-F576 HydrophobicContact CD1-CG 3.69Å; F477-F576 HydrophobicContact CE1-CB 4.27Å; F477-F576 HydrophobicContact CE1-CG 4.31Å; F477-F576 HydrophobicContact CG-CD2 4.15Å; F477-F576 HydrophobicContact CG-CE2 4.46Å
478	T	98.5	Very high	93.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.3	165.8	-66.5	0	0	0	0	108.3	Q509 I511 I553 T555 A557 V558 L559	T478-Q509 HydrophobicContact CG2-CG 3.78Å; T478-I511 HydrophobicContact CG2-CD1 3.8Å; T478-I511 HydrophobicContact CG2-CG1 4.04Å; T478-I553 HydrophobicContact CG2-CG1 4.3Å; T478-I553 HydrophobicContact CG2-CG2 4.33Å; T478-T555 VanDerWaalsContact CB-OG1 3.29Å; T478-T555 WeakPolarHBondContact CB-OG1 3.45Å; T478-T555 PolarHBondContact N-OG1 3.2Å; T478-T555 PolarHBondContact OG1-OG1 3.22Å; T478-A557 PolarHBondContact N-O 3.15Å; T478-V558 CarbonylContact O-C 3.36Å; T478-V558 WeakPolarHBondContact O-CA 3.5Å; T478-L559 PolarHBondContact O-N 3.18Å
479	A	98.3	Very high	92.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	141.3	173	0	0	0	0	0	111.1	F477 V501 Q509 V510 I511 L559	F477-A479 HydrophobicContact CD2-CB 4.41Å; F477-A479 HydrophobicContact CE2-CB 4.1Å; A479-V501 HydrophobicContact CB-CG1 3.52Å; A479-Q509 PolarHBondContact N-O 2.8Å; A479-V510 HydrophobicContact CB-CB 4.5Å; A479-V510 HydrophobicContact CB-CG1 4.14Å; A479-V510 HydrophobicContact CB-CG2 4.25Å; A479-V510 CarbonylContact O-C 3.46Å; A479-I511 PolarHBondContact O-N 3.38Å; A479-L559 CarbonylContact C-O 3.49Å; A479-L559 VanDerWaalsContact CA-O 3.27Å; A479-L559 WeakPolarHBondContact CA-O 3.39Å; A479-L559 HydrophobicContact CB-CB 4.33Å; A479-L559 HydrophobicContact CB-CD2 4.4Å
480	I	97.6	Very high	92.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.8	171.1	-57.3	179.1	0	0	0	107.7	I511 L513 R546 I553 V558 L559 L561	I480-I511 CarbonylContact C-O 3.47Å; I480-I511 WeakPolarHBondContact CA-O 3.44Å; I480-I511 HydrophobicContact CG1-CB 4.32Å; I480-L513 HydrophobicContact CG2-CB 4.38Å; I480-R546 HydrophobicContact CG2-CB 4.49Å; I480-I553 HydrophobicContact CD1-CD1 3.79Å; I480-V558 HydrophobicContact CD1-CG1 3.57Å; I480-V558 HydrophobicContact CG1-CG1 3.92Å; I480-L559 PolarHBondContact N-O 3.29Å; I480-L561 PolarHBondContact O-N 3.22Å
481	I	96.6	Very high	91.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.7	175.5	-55.6	177.4	0	0	0	107.8	V483 V494 L497 L498 V510 I511 L513 L561	I481-V483 HydrophobicContact CG2-CG2 3.99Å; I481-V494 HydrophobicContact CG2-CG2 3.94Å; I481-L497 HydrophobicContact CD1-CD2 4.4Å; I481-L497 HydrophobicContact CD1-CG 4.35Å; I481-L497 HydrophobicContact CG2-CD2 4.37Å; I481-L498 HydrophobicContact CD1-CB 4.24Å; I481-L498 HydrophobicContact CD1-CD1 4.25Å; I481-V510 HydrophobicContact CD1-CG1 3.78Å; I481-V510 HydrophobicContact CG1-CG1 4.08Å; I481-I511 PolarHBondContact N-O 3.5Å; I481-L513 PolarHBondContact O-N 2.83Å; I481-L561 WeakPolarHBondContact CA-O 3.26Å; I481-L561 HydrophobicContact CG1-CB 4.22Å; I481-L561 HydrophobicContact CG1-CD1 4.15Å
482	H	94.4	Very high	91.5	Very high	16 Å²	16	50.6 Å²	50.6	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.7	177.5	-174.9	-135.4	0	0	0	110.1	V484 N515 L561 E563	H482-V484 VanDerWaalsContact CE1-CG1 3.46Å; H482-V484 WeakPolarHBondContact CE1-CG1 3.38Å; H482-N515 PolarHBondContact NE2-ND2 2.82Å; H482-L561 PolarHBondContact N-O 3.27Å; H482-E563 WeakPolarHBondContact O-CB 3.42Å; H482-E563 PolarHBondContact O-N 3.3Å
483	V	92.9	Very high	91.3	Very high	3 Å²	3	44 Å²	44	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.6	-175	-177.3	0	0	0	0	109.7	I481 T485 V494 V512 L513 W514 N515 E563	I481-V483 HydrophobicContact CG2-CG2 3.99Å; V483-T485 WeakPolarHBondContact CG1-O 3.26Å; V483-V494 HydrophobicContact CG2-CG2 3.81Å; V483-V512 HydrophobicContact CB-CG1 4.47Å; V483-V512 HydrophobicContact CG2-CG1 3.68Å; V483-L513 PolarHBondContact N-O 2.78Å; V483-W514 HydrophobicContact CB-CE3 4.16Å; V483-W514 HydrophobicContact CG1-CE3 3.7Å; V483-W514 HydrophobicContact CG1-CH2 4.44Å; V483-W514 HydrophobicContact CG1-CZ3 3.61Å; V483-N515 CarbonylContact O-C 3.5Å; V483-N515 WeakPolarHBondContact O-CA 3.43Å; V483-N515 PolarHBondContact O-N 2.84Å; V483-E563 WeakPolarHBondContact CA-OE2 3.27Å; V483-E563 WeakPolarHBondContact CG1-OE2 3.38Å; V483-E563 HydrophobicContact CG2-CB 4.41Å
484	V	90.4	Very high	91.2	Very high	46 Å²	46	44 Å²	44	28%	0.279	25%	0.247	S	C	.	.			trans	-121.7	-13.9	-177.6	-64.4	0	0	0	0	112.2	H482 N515 E563	H482-V484 VanDerWaalsContact CE1-CG1 3.46Å; H482-V484 WeakPolarHBondContact CE1-CG1 3.38Å; V484-N515 HydrophobicContact CG1-CB 4.23Å; V484-E563 WeakPolarHBondContact CG2-OE1 3.38Å; V484-E563 PolarHBondContact N-OE2 3.1Å
485	T	88.8	Confident	91.1	Very high	54 Å²	54	38.7 Å²	38.7	33%	0.331	23%	0.226	S	C	.	.	S	Bend	trans	-105.5	150.3	175.9	58	0	0	0	0	112.4	V483 E563	V483-T485 WeakPolarHBondContact CG1-O 3.26Å; T485-E563 WeakPolarHBondContact CB-OE1 3.36Å; T485-E563 WeakPolarHBondContact CG2-OE1 3.45Å; T485-E563 PolarHBondContact N-OE1 3.45Å; T485-E563 PolarHBondContact N-OE2 3.49Å; T485-E563 PolarHBondContact OG1-OE1 2.89Å; T485-E563 PolarHBondContact OG1-OE2 2.85Å; T485-E563 VanDerWaalsContact OG1-OE2 3.06Å
486	P	87.3	Confident	90.8	Very high	53 Å²	53	41.7 Å²	41.7	34%	0.344	23%	0.231	S	C	.	.			trans	-68.6	147.8	178.7	27.5	-33.9	0	0	0	111.4	V488 Q492 C516 K518	P486-V488 VanDerWaalsContact O-CG2 3.28Å; P486-V488 WeakPolarHBondContact O-CG2 3.43Å; P486-V488 PolarHBondContact O-N 3.44Å; P486-Q492 PolarHBondContact O-NE2 3.13Å; P486-C516 VanDerWaalsContact N-SG 3.43Å; P486-K518 HydrophobicContact CB-CB 4.07Å; P486-K518 HydrophobicContact CB-CG 3.95Å; P486-K518 HydrophobicContact CG-CG 4.35Å
487	L	85.5	Confident	90.6	Very high	17 Å²	17	37.8 Å²	37.8	9%	0.089	21%	0.214	C	C	.	.			trans	-81.3	106.5	174.7	-169.4	74.7	0	0	0	109.8	V494 M495 W514 P521 R525	L487-V494 HydrophobicContact CD1-CG1 3.92Å; L487-M495 HydrophobicContact CD1-CE 4.35Å; L487-M495 HydrophobicContact CD1-CG 3.59Å; L487-M495 HydrophobicContact CD1-SD 3.48Å; L487-M495 WeakPolarHBondContact CD1-SD 3.43Å; L487-M495 HydrophobicContact CD2-CE 3.95Å; L487-M495 HydrophobicContact CD2-SD 3.87Å; L487-M495 HydrophobicContact CG-SD 4.33Å; L487-W514 HydrophobicContact CB-CH2 4.15Å; L487-P521 HydrophobicContact CB-CB 4.38Å; L487-P521 HydrophobicContact CB-CG 3.61Å; L487-P521 HydrophobicContact CD2-CB 3.95Å; L487-P521 HydrophobicContact CD2-CG 3.91Å; L487-P521 HydrophobicContact CG-CG 4.42Å; L487-R525 HydrophobicContact CD2-CB 4.28Å
488	V	83.8	Confident	90.5	Very high	120 Å²	120	37.9 Å²	37.9	73%	0.727	22%	0.215	S	C	*	.			trans	-106	-27.6	-176.9	-138.2	0	0	0	0	112.1	P486	P486-V488 VanDerWaalsContact O-CG2 3.28Å; P486-V488 WeakPolarHBondContact O-CG2 3.43Å; P486-V488 PolarHBondContact O-N 3.44Å
489	S	84	Confident	90.3	Very high	53 Å²	53	39.8 Å²	39.8	37%	0.371	23%	0.226	S	C	.	.			trans	-148.6	146	-176.8	176.9	0	0	0	0	113	S491 Q492	S489-S491 PolarHBondContact O-N 3.02Å; S489-S491 PolarHBondContact OG-N 3.24Å; S489-S491 VanDerWaalsContact OG-N 3.11Å; S489-S491 PolarHBondContact OG-OG 3.09Å; S489-Q492 WeakPolarHBondContact O-CB 3.25Å; S489-Q492 WeakPolarHBondContact O-CG 3.48Å; S489-Q492 PolarHBondContact O-N 3.06Å; S489-Q492 PolarHBondContact O-OE1 3.01Å
490	Q	81.3	Confident	90.1	Very high	104 Å²	104	40.5 Å²	40.5	49%	0.486	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.3	170.8	-66.2	-61	-33.9	0	0	113.3	Q492 M495 R525	Q490-Q492 VanDerWaalsContact C-N 3.31Å; Q490-M495 WeakPolarHBondContact O-CB 3.4Å; Q490-R525 PolarHBondContact NE2-O 3.12Å
491	S	83.6	Confident	90	Very high	79 Å²	79	40.5 Å²	40.5	55%	0.552	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.6	179.3	62.3	0	0	0	0	114.1	S489	S489-S491 PolarHBondContact O-N 3.02Å; S489-S491 PolarHBondContact OG-N 3.24Å; S489-S491 VanDerWaalsContact OG-N 3.11Å; S489-S491 PolarHBondContact OG-OG 3.09Å
492	Q	86.9	Confident	90.1	Very high	39 Å²	39	40.6 Å²	40.6	18%	0.182	23%	0.233	C	C	.	.	S	Bend	trans	-62	147.4	-179.2	-77.3	176.7	-71.8	0	0	112	P486 S489 Q490 V494 M495	P486-Q492 PolarHBondContact O-NE2 3.13Å; S489-Q492 WeakPolarHBondContact O-CB 3.25Å; S489-Q492 WeakPolarHBondContact O-CG 3.48Å; S489-Q492 PolarHBondContact O-N 3.06Å; S489-Q492 PolarHBondContact O-OE1 3.01Å; Q490-Q492 VanDerWaalsContact C-N 3.31Å; Q492-V494 VanDerWaalsContact C-N 3.29Å; Q492-V494 HydrophobicContact CB-CG1 4.24Å; Q492-V494 PolarHBondContact O-N 2.62Å; Q492-M495 PolarHBondContact O-N 3.09Å; Q492-M495 VanDerWaalsContact O-N 3.12Å
493	P	88.1	Confident	90.2	Very high	52 Å²	52	46.3 Å²	46.3	34%	0.338	26%	0.258	S	S	.	.	H	α-helix	trans	-52.2	-43.2	-178.7	-28.9	36	0	0	0	113.9	M495 K496 L497	P493-M495 PolarHBondContact O-N 3.34Å; P493-M495 VanDerWaalsContact O-N 3.17Å; P493-K496 PolarHBondContact O-N 3.47Å; P493-K496 VanDerWaalsContact O-N 3.08Å; P493-L497 WeakPolarHBondContact O-CB 3.49Å; P493-L497 PolarHBondContact O-N 2.87Å
494	V	90.3	Very high	90.4	Very high	12 Å²	12	46.4 Å²	46.4	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-54.9	-36.2	-179.9	70.1	0	0	0	0	113.4	I481 V483 L487 Q492 L498 E563	I481-V494 HydrophobicContact CG2-CG2 3.94Å; V483-V494 HydrophobicContact CG2-CG2 3.81Å; L487-V494 HydrophobicContact CD1-CG1 3.92Å; Q492-V494 VanDerWaalsContact C-N 3.29Å; Q492-V494 HydrophobicContact CB-CG1 4.24Å; Q492-V494 PolarHBondContact O-N 2.62Å; V494-L498 VanDerWaalsContact O-CB 3.32Å; V494-L498 WeakPolarHBondContact O-CB 3.45Å; V494-L498 PolarHBondContact O-N 3.15Å; V494-E563 WeakPolarHBondContact CA-O 3.33Å; V494-E563 HydrophobicContact CB-CB 4.18Å; V494-E563 HydrophobicContact CG2-CB 4.08Å; V494-E563 PolarHBondContact N-O 3.39Å
495	M	91.4	Very high	90.6	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-72	-42.1	179.8	-61.1	-62	-87.6	0	0	111.4	L487 Q490 Q492 P493 V499 R525 W526 P527	L487-M495 HydrophobicContact CD1-CE 4.35Å; L487-M495 HydrophobicContact CD1-CG 3.59Å; L487-M495 HydrophobicContact CD1-SD 3.48Å; L487-M495 WeakPolarHBondContact CD1-SD 3.43Å; L487-M495 HydrophobicContact CD2-CE 3.95Å; L487-M495 HydrophobicContact CD2-SD 3.87Å; L487-M495 HydrophobicContact CG-SD 4.33Å; Q490-M495 WeakPolarHBondContact O-CB 3.4Å; Q492-M495 PolarHBondContact O-N 3.09Å; Q492-M495 VanDerWaalsContact O-N 3.12Å; P493-M495 PolarHBondContact O-N 3.34Å; P493-M495 VanDerWaalsContact O-N 3.17Å; M495-V499 WeakPolarHBondContact O-CG2 3.43Å; M495-V499 PolarHBondContact O-N 2.85Å; M495-R525 WeakPolarHBondContact CE-O 3.44Å; M495-W526 HydrophobicContact SD-CE3 4.29Å; M495-W526 HydrophobicContact SD-CZ3 4.44Å; M495-P527 HydrophobicContact CE-CG 4.24Å
496	K	91.5	Very high	91	Very high	138 Å²	138	50.8 Å²	50.8	60%	0.6	27%	0.27	S	S	*	.	H	α-helix	trans	-66.6	-40.9	175.8	-63.6	-178.8	-177.5	175.8	0	110.9	P493 V499 A500	P493-K496 PolarHBondContact O-N 3.47Å; P493-K496 VanDerWaalsContact O-N 3.08Å; K496-V499 PolarHBondContact O-N 3.26Å; K496-A500 WeakPolarHBondContact O-CB 3.5Å; K496-A500 PolarHBondContact O-N 2.93Å
497	L	93.6	Very high	91.6	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-48.8	176.6	-179.6	63.4	0	0	0	111.2	I481 P493 V499 A500 V501 L561 D562 T565 L567	I481-L497 HydrophobicContact CD1-CD2 4.4Å; I481-L497 HydrophobicContact CD1-CG 4.35Å; I481-L497 HydrophobicContact CG2-CD2 4.37Å; P493-L497 WeakPolarHBondContact O-CB 3.49Å; P493-L497 PolarHBondContact O-N 2.87Å; L497-V499 VanDerWaalsContact C-N 3.31Å; L497-V499 PolarHBondContact O-N 2.76Å; L497-A500 PolarHBondContact O-N 2.66Å; L497-A500 VanDerWaalsContact O-N 3.12Å; L497-V501 HydrophobicContact CD1-CG2 3.97Å; L497-V501 HydrophobicContact CG-CG2 4.35Å; L497-V501 VanDerWaalsContact O-CG2 3.32Å; L497-V501 WeakPolarHBondContact O-CG2 3.25Å; L497-V501 PolarHBondContact O-N 3.08Å; L497-L561 HydrophobicContact CD1-CD1 4.24Å; L497-L561 HydrophobicContact CD2-CB 4.2Å; L497-L561 HydrophobicContact CD2-CD1 4.32Å; L497-L561 HydrophobicContact CG-CD1 4.38Å; L497-D562 WeakPolarHBondContact CD2-O 3.32Å; L497-T565 HydrophobicContact CD1-CG2 4.32Å; L497-T565 WeakPolarHBondContact CD1-O 2.99Å; L497-L567 HydrophobicContact CD1-CB 4.33Å
498	L	95.1	Very high	92.1	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-53.8	-48	176.5	175.9	60.4	0	0	0	111.3	I481 V494 A502 V510 V512 W526 P527 T529 F533	I481-L498 HydrophobicContact CD1-CB 4.24Å; I481-L498 HydrophobicContact CD1-CD1 4.25Å; V494-L498 VanDerWaalsContact O-CB 3.32Å; V494-L498 WeakPolarHBondContact O-CB 3.45Å; V494-L498 PolarHBondContact O-N 3.15Å; L498-A502 WeakPolarHBondContact O-CB 3.45Å; L498-A502 PolarHBondContact O-N 2.91Å; L498-V510 HydrophobicContact CD1-CB 3.92Å; L498-V510 HydrophobicContact CD1-CG1 3.56Å; L498-V510 HydrophobicContact CD1-CG2 4.17Å; L498-V512 HydrophobicContact CD1-CG2 4.37Å; L498-W526 HydrophobicContact CD2-CE3 4.09Å; L498-W526 HydrophobicContact CD2-CZ3 4.46Å; L498-P527 HydrophobicContact CD2-CG 3.55Å; L498-P527 HydrophobicContact CG-CG 4.11Å; L498-T529 HydrophobicContact CD1-CG2 4.46Å; L498-T529 HydrophobicContact CG-CG2 4.14Å; L498-F533 HydrophobicContact CD1-CB 4.34Å
499	V	94.6	Very high	92.8	Very high	40 Å²	40	43.9 Å²	43.9	24%	0.242	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-41.4	177.6	174.1	0	0	0	0	111.9	M495 K496 L497 K503 P527	M495-V499 WeakPolarHBondContact O-CG2 3.43Å; M495-V499 PolarHBondContact O-N 2.85Å; K496-V499 PolarHBondContact O-N 3.26Å; L497-V499 VanDerWaalsContact C-N 3.31Å; L497-V499 PolarHBondContact O-N 2.76Å; V499-K503 HydrophobicContact CG1-CD 4.14Å; V499-K503 VanDerWaalsContact O-CG 3.28Å; V499-K503 WeakPolarHBondContact O-CG 3.33Å; V499-K503 PolarHBondContact O-N 3.21Å; V499-K503 VanDerWaalsContact O-N 3.14Å; V499-P527 HydrophobicContact CG2-CB 3.64Å; V499-P527 HydrophobicContact CG2-CG 3.8Å
500	A	94.2	Very high	93.4	Very high	15 Å²	15	41.3 Å²	41.3	12%	0.124	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-42.4	-179.3	0	0	0	0	0	112.3	K496 L497 L567 T569	K496-A500 WeakPolarHBondContact O-CB 3.5Å; K496-A500 PolarHBondContact O-N 2.93Å; L497-A500 PolarHBondContact O-N 2.66Å; L497-A500 VanDerWaalsContact O-N 3.12Å; A500-L567 VanDerWaalsContact CB-O 3.31Å; A500-L567 WeakPolarHBondContact CB-O 3.42Å; A500-T569 WeakPolarHBondContact O-CB 3.5Å; A500-T569 PolarHBondContact O-OG1 2.74Å
501	V	96.7	Very high	94.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.7	-45	177.1	175.7	0	0	0	0	110.7	F477 A479 L497 K503 S504 C507 V510 L559 L561 V572	F477-V501 HydrophobicContact CE2-CG1 4.06Å; F477-V501 HydrophobicContact CZ-CG1 4.41Å; A479-V501 HydrophobicContact CB-CG1 3.52Å; L497-V501 HydrophobicContact CD1-CG2 3.97Å; L497-V501 HydrophobicContact CG-CG2 4.35Å; L497-V501 VanDerWaalsContact O-CG2 3.32Å; L497-V501 WeakPolarHBondContact O-CG2 3.25Å; L497-V501 PolarHBondContact O-N 3.08Å; V501-K503 PolarHBondContact O-N 3.15Å; V501-S504 WeakPolarHBondContact O-CB 3.39Å; V501-S504 PolarHBondContact O-N 2.95Å; V501-C507 WeakPolarHBondContact O-CB 3.38Å; V501-V510 HydrophobicContact CG1-CG2 4.12Å; V501-L559 HydrophobicContact CG1-CD2 4.25Å; V501-L561 HydrophobicContact CG2-CD1 3.61Å; V501-V572 HydrophobicContact CG2-CG2 4.28Å
502	A	97	Very high	94.7	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-27.3	178.8	0	0	0	0	0	113.6	L498 S504 T529 S530 V531	L498-A502 WeakPolarHBondContact O-CB 3.45Å; L498-A502 PolarHBondContact O-N 2.91Å; A502-S504 VanDerWaalsContact C-N 3.31Å; A502-T529 HydrophobicContact CB-CG2 3.74Å; A502-S530 PolarHBondContact O-OG 2.64Å; A502-V531 HydrophobicContact CB-CG2 3.71Å
503	K	97	Very high	95.1	Very high	137 Å²	137	30.8 Å²	30.8	60%	0.596	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.8	175.7	-78	175.9	179	-178.6	0	114.2	V499 V501 T569	V499-K503 HydrophobicContact CG1-CD 4.14Å; V499-K503 VanDerWaalsContact O-CG 3.28Å; V499-K503 WeakPolarHBondContact O-CG 3.33Å; V499-K503 PolarHBondContact O-N 3.21Å; V499-K503 VanDerWaalsContact O-N 3.14Å; V501-K503 PolarHBondContact O-N 3.15Å; K503-T569 HydrophobicContact CB-CG2 4.01Å
504	S	97	Very high	95.3	Very high	5 Å²	5	28.4 Å²	28.4	4%	0.035	14%	0.138	C	C	.	.			trans	-62.7	135.9	177.9	169.3	0	0	0	0	110.4	V501 A502 Y506 C507 D573	V501-S504 WeakPolarHBondContact O-CB 3.39Å; V501-S504 PolarHBondContact O-N 2.95Å; A502-S504 VanDerWaalsContact C-N 3.31Å; S504-Y506 PolarHBondContact O-N 2.85Å; S504-Y506 PolarHBondContact OG-N 2.94Å; S504-C507 PolarHBondContact O-N 3.04Å; S504-D573 WeakPolarHBondContact CB-OD1 3.23Å; S504-D573 PolarHBondContact OG-OD1 3.14Å
505	Q	95.6	Very high	95.4	Very high	131 Å²	131	28.3 Å²	28.3	61%	0.612	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.7	175.9	68.5	-170.4	-57.6	0	0	112.8	D573	Q505-D573 PolarHBondContact NE2-OD2 3.22Å
506	Y	97.6	Very high	95.2	Very high	60 Å²	60	28.4 Å²	28.4	24%	0.235	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-3.7	-178.9	-52.9	-69	0	0	0	113.1	K476 F477 S504 A508 D573 F576	K476-Y506 CarbonylContact C-O 3.05Å; K476-Y506 WeakPolarHBondContact CA-O 3.34Å; K476-Y506 WeakPolarHBondContact CB-O 3.09Å; F477-Y506 WeakPolarHBondContact CD1-O 2.93Å; F477-Y506 PolarHBondContact N-O 3.49Å; S504-Y506 PolarHBondContact O-N 2.85Å; S504-Y506 PolarHBondContact OG-N 2.94Å; Y506-A508 PolarHBondContact O-N 2.95Å; Y506-D573 HydrophobicContact CD2-CB 4.09Å; Y506-D573 HydrophobicContact CE2-CB 3.97Å; Y506-F576 VanDerWaalsContact CB-CD1 3.43Å; Y506-F576 AromaticContact CD1-CD1 3.8Å; Y506-F576 HydrophobicContact CD1-CD1 3.8Å; Y506-F576 AromaticContact CD1-CE1 3.7Å; Y506-F576 HydrophobicContact CD1-CE1 3.7Å; Y506-F576 AromaticContact CD2-CD1 3.73Å; Y506-F576 HydrophobicContact CD2-CD1 3.73Å; Y506-F576 HydrophobicContact CD2-CE1 4.46Å; Y506-F576 HydrophobicContact CE1-CD1 4.48Å; Y506-F576 HydrophobicContact CE1-CE1 4.48Å; Y506-F576 HydrophobicContact CE2-CD1 4.41Å; Y506-F576 AromaticContact CG-CD1 3.37Å; Y506-F576 HydrophobicContact CG-CD1 3.37Å; Y506-F576 AromaticContact CG-CE1 3.69Å; Y506-F576 HydrophobicContact CG-CE1 3.69Å; Y506-F576 HydrophobicContact CG-CG 4.4Å
507	C	98.1	Very high	95	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.027	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	121.4	177.5	-172	0	0	0	0	110	F477 V501 S504 Q509 V531	F477-C507 HydrophobicContact CE1-CB 4.43Å; F477-C507 HydrophobicContact CE2-CB 3.97Å; F477-C507 HydrophobicContact CZ-CB 3.76Å; V501-C507 WeakPolarHBondContact O-CB 3.38Å; S504-C507 PolarHBondContact O-N 3.04Å; C507-Q509 PolarHBondContact SG-O 3.22Å; C507-V531 HydrophobicContact CB-CG1 4.47Å; C507-V531 WeakPolarHBondContact O-CG1 3.46Å
508	A	97.6	Very high	94.8	Very high	24 Å²	24	34.5 Å²	34.5	20%	0.198	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-44.6	171.8	0	0	0	0	0	111.3	K476 F477 Y506 T555	K476-A508 HydrophobicContact CB-CB 3.94Å; K476-A508 HydrophobicContact CD-CB 4.13Å; F477-A508 WeakPolarHBondContact O-CB 3.34Å; F477-A508 PolarHBondContact O-N 3.32Å; Y506-A508 PolarHBondContact O-N 2.95Å; A508-T555 HydrophobicContact CB-CG2 3.69Å
509	Q	97.2	Very high	94.4	Very high	17 Å²	17	39.5 Å²	39.5	8%	0.079	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	165.9	178.6	68.4	176.3	-48.9	0	0	111.1	T478 A479 C507 P532 I534 T552	T478-Q509 HydrophobicContact CG2-CG 3.78Å; A479-Q509 PolarHBondContact N-O 2.8Å; C507-Q509 PolarHBondContact SG-O 3.22Å; Q509-P532 VanDerWaalsContact CA-O 3.27Å; Q509-P532 WeakPolarHBondContact CA-O 3.22Å; Q509-P532 HydrophobicContact CB-CG 4Å; Q509-P532 WeakPolarHBondContact CB-O 3.1Å; Q509-I534 VanDerWaalsContact OE1-CD1 3.31Å; Q509-T552 PolarHBondContact NE2-O 3.21Å
510	V	97.8	Very high	94.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.8	173	-172.6	0	0	0	0	110.5	A479 I481 L498 V501 V512 V531 P532 F533 I534	A479-V510 HydrophobicContact CB-CB 4.5Å; A479-V510 HydrophobicContact CB-CG1 4.14Å; A479-V510 HydrophobicContact CB-CG2 4.25Å; A479-V510 CarbonylContact O-C 3.46Å; I481-V510 HydrophobicContact CD1-CG1 3.78Å; I481-V510 HydrophobicContact CG1-CG1 4.08Å; L498-V510 HydrophobicContact CD1-CB 3.92Å; L498-V510 HydrophobicContact CD1-CG1 3.56Å; L498-V510 HydrophobicContact CD1-CG2 4.17Å; V501-V510 HydrophobicContact CG1-CG2 4.12Å; V510-V512 HydrophobicContact CG1-CG2 4.5Å; V510-V531 HydrophobicContact CG2-CG2 4.17Å; V510-P532 PolarHBondContact N-O 2.98Å; V510-F533 HydrophobicContact CB-CB 4Å; V510-F533 CarbonylContact O-C 3.49Å; V510-F533 WeakPolarHBondContact O-CA 3.39Å; V510-F533 WeakPolarHBondContact O-CB 3.47Å; V510-I534 PolarHBondContact O-N 3.48Å
511	I	96.8	Very high	93.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.4	170.5	-60.6	175	0	0	0	107.5	T478 A479 I480 I481 I534 I536 I553	T478-I511 HydrophobicContact CG2-CD1 3.8Å; T478-I511 HydrophobicContact CG2-CG1 4.04Å; A479-I511 PolarHBondContact O-N 3.38Å; I480-I511 CarbonylContact C-O 3.47Å; I480-I511 WeakPolarHBondContact CA-O 3.44Å; I480-I511 HydrophobicContact CG1-CB 4.32Å; I481-I511 PolarHBondContact N-O 3.5Å; I511-I534 CarbonylContact C-O 3.56Å; I511-I534 WeakPolarHBondContact CA-O 3.32Å; I511-I536 HydrophobicContact CG2-CD1 3.7Å; I511-I536 HydrophobicContact CG2-CG1 4.06Å; I511-I553 HydrophobicContact CD1-CG1 3.72Å
512	V	95.5	Very high	93.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	106.7	169.6	-178.9	0	0	0	0	107	V483 L498 V510 W514 W526 F533 I534 V535 I536	V483-V512 HydrophobicContact CB-CG1 4.47Å; V483-V512 HydrophobicContact CG2-CG1 3.68Å; L498-V512 HydrophobicContact CD1-CG2 4.37Å; V510-V512 HydrophobicContact CG1-CG2 4.5Å; V512-W514 PolarHBondContact O-N 3.19Å; V512-W526 HydrophobicContact CG1-CH2 3.89Å; V512-W526 HydrophobicContact CG1-CZ3 4.22Å; V512-W526 HydrophobicContact CG2-CZ3 4.47Å; V512-F533 HydrophobicContact CG2-CD2 4.3Å; V512-I534 PolarHBondContact N-O 3.1Å; V512-V535 HydrophobicContact CB-CG1 4.31Å; V512-V535 HydrophobicContact CB-CG2 4.25Å; V512-V535 HydrophobicContact CG1-CG1 4.34Å; V512-V535 WeakPolarHBondContact O-CA 3.22Å; V512-I536 PolarHBondContact O-N 2.98Å
513	L	94.9	Very high	92.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	104.2	176.9	-177.3	64	0	0	0	108.7	I480 I481 V483 N515 I536 R546 Y550	I480-L513 HydrophobicContact CG2-CB 4.38Å; I481-L513 PolarHBondContact O-N 2.83Å; V483-L513 PolarHBondContact N-O 2.78Å; L513-N515 PolarHBondContact O-N 3.36Å; L513-I536 HydrophobicContact CD1-CB 4.3Å; L513-I536 HydrophobicContact CD1-CG2 4.19Å; L513-R546 HydrophobicContact CD2-CB 3.94Å; L513-Y550 WeakPolarHBondContact CD1-OH 3.01Å
514	W	92.9	Very high	92.1	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	93.3	-176.6	-169.3	-95	0	0	0	110.7	V483 L487 V512 C516 K518 L520 P521 W526 V535 I536 G538	V483-W514 HydrophobicContact CB-CE3 4.16Å; V483-W514 HydrophobicContact CG1-CE3 3.7Å; V483-W514 HydrophobicContact CG1-CH2 4.44Å; V483-W514 HydrophobicContact CG1-CZ3 3.61Å; L487-W514 HydrophobicContact CB-CH2 4.15Å; V512-W514 PolarHBondContact O-N 3.19Å; W514-C516 HydrophobicContact CD2-CB 4.23Å; W514-C516 HydrophobicContact CZ2-CB 3.79Å; W514-K518 PolarHBondContact NE1-O 3.23Å; W514-L520 HydrophobicContact CB-CD2 3.78Å; W514-L520 HydrophobicContact CD2-CD2 3.77Å; W514-L520 HydrophobicContact CE3-CD2 4.41Å; W514-L520 HydrophobicContact CG-CD2 3.44Å; W514-L520 VanDerWaalsContact CG-CD2 3.44Å; W514-P521 VanDerWaalsContact CH2-CD 3.49Å; W514-P521 HydrophobicContact CH2-CG 3.55Å; W514-P521 HydrophobicContact CZ2-CG 4.16Å; W514-P521 HydrophobicContact CZ3-CG 3.91Å; W514-W526 HydrophobicContact CE3-CH2 4.14Å; W514-W526 HydrophobicContact CE3-CZ2 4.37Å; W514-W526 AromaticContact CZ3-CH2 3.96Å; W514-W526 HydrophobicContact CZ3-CH2 3.96Å; W514-W526 HydrophobicContact CZ3-CZ2 4.24Å; W514-V535 HydrophobicContact CB-CG1 3.99Å; W514-I536 PolarHBondContact N-O 3.27Å; W514-G538 PolarHBondContact O-N 3.36Å
515	N	90.8	Very high	91.7	Very high	10 Å²	10	59 Å²	59	5%	0.053	29%	0.294	C	S	.	.			trans	-105.2	39.9	173.4	-74.3	17.2	0	0	0	110.6	H482 V483 V484 L513 G538 K541 V542	H482-N515 PolarHBondContact NE2-ND2 2.82Å; V483-N515 CarbonylContact O-C 3.5Å; V483-N515 WeakPolarHBondContact O-CA 3.43Å; V483-N515 PolarHBondContact O-N 2.84Å; V484-N515 HydrophobicContact CG1-CB 4.23Å; L513-N515 PolarHBondContact O-N 3.36Å; N515-G538 WeakPolarHBondContact OD1-CA 3.32Å; N515-K541 HydrophobicContact CB-CB 4.27Å; N515-V542 PolarHBondContact ND2-O 2.68Å
516	C	88.1	Confident	91.3	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.034	27%	0.27	C	S	.	.			trans	-100.9	143.3	172.5	-170.4	0	0	0	0	109.8	P486 W514 K518 K541	P486-C516 VanDerWaalsContact N-SG 3.43Å; W514-C516 HydrophobicContact CD2-CB 4.23Å; W514-C516 HydrophobicContact CZ2-CB 3.79Å; C516-K518 PolarHBondContact O-N 2.7Å; C516-K541 PolarHBondContact O-NZ 2.74Å
517	D	86.9	Confident	91	Very high	143 Å²	143	52.4 Å²	52.4	77%	0.765	27%	0.265	S	S	*	.	S	Bend	trans	-71.7	-11	175.6	-60.9	-36.9	0	0	0	113
518	K	88.8	Confident	90.5	Very high	126 Å²	126	57.1 Å²	57.1	55%	0.548	31%	0.305	S	S	.	.	S	Bend	trans	-87	149.6	177.1	-62	-55.5	-175.4	-174.3	0	111	P486 W514 C516	P486-K518 HydrophobicContact CB-CB 4.07Å; P486-K518 HydrophobicContact CB-CG 3.95Å; P486-K518 HydrophobicContact CG-CG 4.35Å; W514-K518 PolarHBondContact NE1-O 3.23Å; C516-K518 PolarHBondContact O-N 2.7Å
519	P	87.1	Confident	90.2	Very high	107 Å²	107	58 Å²	58	70%	0.695	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-62.1	155.1	-179.9	26.9	-35.8	0	0	0	111.5
520	L	87.8	Confident	89.9	Confident	78 Å²	78	61.5 Å²	61.5	41%	0.408	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-54.9	134.4	178.1	-74.3	171.4	0	0	0	111.6	W514 V535	W514-L520 HydrophobicContact CB-CD2 3.78Å; W514-L520 HydrophobicContact CD2-CD2 3.77Å; W514-L520 HydrophobicContact CE3-CD2 4.41Å; W514-L520 HydrophobicContact CG-CD2 3.44Å; W514-L520 VanDerWaalsContact CG-CD2 3.44Å; L520-V535 HydrophobicContact CD2-CB 4.48Å; L520-V535 HydrophobicContact CD2-CG1 3.44Å; L520-V535 VanDerWaalsContact CD2-CG1 3.44Å
521	P	87.1	Confident	89.7	Confident	15 Å²	15	62.5 Å²	62.5	10%	0.097	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-58.7	140.6	171.8	-21.6	31.8	0	0	0	111.2	L487 W514 R525 W526	L487-P521 HydrophobicContact CB-CB 4.38Å; L487-P521 HydrophobicContact CB-CG 3.61Å; L487-P521 HydrophobicContact CD2-CB 3.95Å; L487-P521 HydrophobicContact CD2-CG 3.91Å; L487-P521 HydrophobicContact CG-CG 4.42Å; W514-P521 VanDerWaalsContact CH2-CD 3.49Å; W514-P521 HydrophobicContact CH2-CG 3.55Å; W514-P521 HydrophobicContact CZ2-CG 4.16Å; W514-P521 HydrophobicContact CZ3-CG 3.91Å; P521-R525 HydrophobicContact CB-CB 4.24Å; P521-W526 HydrophobicContact CB-CZ2 4.23Å; P521-W526 HydrophobicContact CG-CH2 4.47Å; P521-W526 HydrophobicContact CG-CZ2 3.78Å; P521-W526 PolarHBondContact O-NE1 2.66Å
522	A	87	Confident	89.6	Confident	47 Å²	47	66.5 Å²	66.5	39%	0.388	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-56.4	146.7	175	0	0	0	0	0	111.6	H524 R525	A522-H524 WeakPolarHBondContact CB-CE1 3.44Å; A522-H524 PolarHBondContact O-N 2.64Å; A522-R525 WeakPolarHBondContact O-CB 3.4Å; A522-R525 PolarHBondContact O-N 3.27Å
523	K	85.1	Confident	89.5	Confident	197 Å²	197	69.2 Å²	69.2	86%	0.857	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-50.4	-39.1	-172.9	-71	-173.2	178.2	-178.5	0	114.3	R525 W526	K523-R525 PolarHBondContact O-N 3.11Å; K523-W526 PolarHBondContact O-N 3.43Å
524	H	85.4	Confident	89.4	Confident	153 Å²	153	72.4 Å²	72.4	71%	0.708	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-66.9	-15.9	179.8	67.2	-95	0	0	0	114.3	A522 W526	A522-H524 WeakPolarHBondContact CB-CE1 3.44Å; A522-H524 PolarHBondContact O-N 2.64Å; H524-W526 VanDerWaalsContact C-N 3.34Å
525	R	86.9	Confident	89.4	Confident	120 Å²	120	74.4 Å²	74.4	45%	0.453	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-83	-10.2	176.4	-63.3	-169.3	-178.3	-178	1.8	112.6	L487 Q490 M495 P521 A522 K523	L487-R525 HydrophobicContact CD2-CB 4.28Å; Q490-R525 PolarHBondContact NE2-O 3.12Å; M495-R525 WeakPolarHBondContact CE-O 3.44Å; P521-R525 HydrophobicContact CB-CB 4.24Å; A522-R525 WeakPolarHBondContact O-CB 3.4Å; A522-R525 PolarHBondContact O-N 3.27Å; K523-R525 PolarHBondContact O-N 3.11Å
526	W	88.5	Confident	89.5	Confident	30 Å²	30	75.5 Å²	75.5	11%	0.114	41%	0.412	C	S	.	.	S	Bend	trans	-87.5	147	176.4	-64.6	98.8	0	0	0	110.7	M495 L498 V512 W514 P521 K523 H524 F533 V535	M495-W526 HydrophobicContact SD-CE3 4.29Å; M495-W526 HydrophobicContact SD-CZ3 4.44Å; L498-W526 HydrophobicContact CD2-CE3 4.09Å; L498-W526 HydrophobicContact CD2-CZ3 4.46Å; V512-W526 HydrophobicContact CG1-CH2 3.89Å; V512-W526 HydrophobicContact CG1-CZ3 4.22Å; V512-W526 HydrophobicContact CG2-CZ3 4.47Å; W514-W526 HydrophobicContact CE3-CH2 4.14Å; W514-W526 HydrophobicContact CE3-CZ2 4.37Å; W514-W526 AromaticContact CZ3-CH2 3.96Å; W514-W526 HydrophobicContact CZ3-CH2 3.96Å; W514-W526 HydrophobicContact CZ3-CZ2 4.24Å; P521-W526 HydrophobicContact CB-CZ2 4.23Å; P521-W526 HydrophobicContact CG-CH2 4.47Å; P521-W526 HydrophobicContact CG-CZ2 3.78Å; P521-W526 PolarHBondContact O-NE1 2.66Å; K523-W526 PolarHBondContact O-N 3.43Å; H524-W526 VanDerWaalsContact C-N 3.34Å; W526-F533 HydrophobicContact CB-CE1 4.35Å; W526-F533 HydrophobicContact CB-CE2 4.04Å; W526-F533 HydrophobicContact CB-CZ 3.45Å; W526-F533 VanDerWaalsContact CB-CZ 3.45Å; W526-F533 AromaticContact CD2-CE2 3.99Å; W526-F533 HydrophobicContact CD2-CE2 3.99Å; W526-F533 HydrophobicContact CD2-CZ 4.32Å; W526-F533 HydrophobicContact CE3-CE2 4.19Å; W526-F533 AromaticContact CG-CE2 3.93Å; W526-F533 HydrophobicContact CG-CE2 3.93Å; W526-F533 AromaticContact CG-CZ 3.81Å; W526-F533 HydrophobicContact CG-CZ 3.81Å; W526-V535 HydrophobicContact CZ2-CG2 4.14Å
527	P	89.8	Confident	89.6	Confident	21 Å²	21	79.8 Å²	79.8	14%	0.136	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-74.3	149.2	-179.1	32.6	-30.1	0	0	0	110.3	M495 L498 V499 T529	M495-P527 HydrophobicContact CE-CG 4.24Å; L498-P527 HydrophobicContact CD2-CG 3.55Å; L498-P527 HydrophobicContact CG-CG 4.11Å; V499-P527 HydrophobicContact CG2-CB 3.64Å; V499-P527 HydrophobicContact CG2-CG 3.8Å; P527-T529 HydrophobicContact CG-CG2 4.45Å; P527-T529 PolarHBondContact O-N 3.43Å
528	A	88.6	Confident	89.2	Confident	104 Å²	104	73.1 Å²	73.1	86%	0.86	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-66	130.9	167.8	0	0	0	0	0	109.5
529	T	91.8	Very high	88.8	Confident	41 Å²	41	76.8 Å²	76.8	25%	0.252	42%	0.416	S	S	.	.			trans	-125.6	150	-174.8	45.6	0	0	0	0	110.3	L498 A502 P527 V531 F533	L498-T529 HydrophobicContact CD1-CG2 4.46Å; L498-T529 HydrophobicContact CG-CG2 4.14Å; A502-T529 HydrophobicContact CB-CG2 3.74Å; P527-T529 HydrophobicContact CG-CG2 4.45Å; P527-T529 PolarHBondContact O-N 3.43Å; T529-V531 VanDerWaalsContact C-N 3.28Å; T529-V531 PolarHBondContact OG1-O 3.22Å; T529-V531 VanDerWaalsContact OG1-O 3.07Å; T529-F533 HydrophobicContact CG2-CD1 4.36Å; T529-F533 VanDerWaalsContact OG1-CD1 3.31Å; T529-F533 WeakPolarHBondContact OG1-CD1 3.49Å
530	S	90.1	Very high	88.4	Confident	91 Å²	91	75.2 Å²	75.2	64%	0.636	41%	0.408	S	S	*	.	S	Bend	trans	-77.3	-12.8	178.6	35.2	0	0	0	0	113.9	A502	A502-S530 PolarHBondContact O-OG 2.64Å
531	V	94.4	Very high	88.3	Confident	21 Å²	21	74.5 Å²	74.5	13%	0.127	40%	0.401	C	S	.	.	S	Bend	trans	-127.9	152.9	-179.8	-61.5	0	0	0	0	108.4	A502 C507 V510 T529 F533	A502-V531 HydrophobicContact CB-CG2 3.71Å; C507-V531 HydrophobicContact CB-CG1 4.47Å; C507-V531 WeakPolarHBondContact O-CG1 3.46Å; V510-V531 HydrophobicContact CG2-CG2 4.17Å; T529-V531 VanDerWaalsContact C-N 3.28Å; T529-V531 PolarHBondContact OG1-O 3.22Å; T529-V531 VanDerWaalsContact OG1-O 3.07Å; V531-F533 PolarHBondContact O-N 3.44Å
532	P	94.1	Very high	88.5	Confident	85 Å²	85	75.6 Å²	75.6	55%	0.552	41%	0.407	S	S	*	.			trans	-59.3	137.1	175.5	25.3	-33.8	0	0	0	110.2	Q509 V510	Q509-P532 VanDerWaalsContact CA-O 3.27Å; Q509-P532 WeakPolarHBondContact CA-O 3.22Å; Q509-P532 HydrophobicContact CB-CG 4Å; Q509-P532 WeakPolarHBondContact CB-O 3.1Å; V510-P532 PolarHBondContact N-O 2.98Å
533	F	92.6	Very high	88.6	Confident	58 Å²	58	74.4 Å²	74.4	25%	0.254	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.2	164.4	79.8	-81.7	0	0	0	110.4	L498 V510 V512 W526 T529 V531 V535	L498-F533 HydrophobicContact CD1-CB 4.34Å; V510-F533 HydrophobicContact CB-CB 4Å; V510-F533 CarbonylContact O-C 3.49Å; V510-F533 WeakPolarHBondContact O-CA 3.39Å; V510-F533 WeakPolarHBondContact O-CB 3.47Å; V512-F533 HydrophobicContact CG2-CD2 4.3Å; W526-F533 HydrophobicContact CB-CE1 4.35Å; W526-F533 HydrophobicContact CB-CE2 4.04Å; W526-F533 HydrophobicContact CB-CZ 3.45Å; W526-F533 VanDerWaalsContact CB-CZ 3.45Å; W526-F533 AromaticContact CD2-CE2 3.99Å; W526-F533 HydrophobicContact CD2-CE2 3.99Å; W526-F533 HydrophobicContact CD2-CZ 4.32Å; W526-F533 HydrophobicContact CE3-CE2 4.19Å; W526-F533 AromaticContact CG-CE2 3.93Å; W526-F533 HydrophobicContact CG-CE2 3.93Å; W526-F533 AromaticContact CG-CZ 3.81Å; W526-F533 HydrophobicContact CG-CZ 3.81Å; T529-F533 HydrophobicContact CG2-CD1 4.36Å; T529-F533 VanDerWaalsContact OG1-CD1 3.31Å; T529-F533 WeakPolarHBondContact OG1-CD1 3.49Å; V531-F533 PolarHBondContact O-N 3.44Å; F533-V535 HydrophobicContact CD2-CG2 4.09Å; F533-V535 HydrophobicContact CE2-CG2 3.84Å
534	I	93.8	Very high	88.9	Confident	67 Å²	67	65.6 Å²	65.6	34%	0.344	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137	-178.7	-53.8	175.4	0	0	0	107.1	Q509 V510 I511 V512 I536	Q509-I534 VanDerWaalsContact OE1-CD1 3.31Å; V510-I534 PolarHBondContact O-N 3.48Å; I511-I534 CarbonylContact C-O 3.56Å; I511-I534 WeakPolarHBondContact CA-O 3.32Å; V512-I534 PolarHBondContact N-O 3.1Å; I534-I536 HydrophobicContact CG2-CG1 4.21Å
535	V	93.3	Very high	89.2	Confident	43 Å²	43	58.3 Å²	58.3	26%	0.261	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.3	173.1	-167.2	0	0	0	0	108.2	V512 W514 L520 W526 F533	V512-V535 HydrophobicContact CB-CG1 4.31Å; V512-V535 HydrophobicContact CB-CG2 4.25Å; V512-V535 HydrophobicContact CG1-CG1 4.34Å; V512-V535 WeakPolarHBondContact O-CA 3.22Å; W514-V535 HydrophobicContact CB-CG1 3.99Å; L520-V535 HydrophobicContact CD2-CB 4.48Å; L520-V535 HydrophobicContact CD2-CG1 3.44Å; L520-V535 VanDerWaalsContact CD2-CG1 3.44Å; W526-V535 HydrophobicContact CZ2-CG2 4.14Å; F533-V535 HydrophobicContact CD2-CG2 4.09Å; F533-V535 HydrophobicContact CE2-CG2 3.84Å
536	I	92.5	Very high	89.5	Confident	33 Å²	33	52.7 Å²	52.7	17%	0.169	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.7	176.5	-60.1	-179.9	0	0	0	106.8	I511 V512 L513 W514 I534 Y550	I511-I536 HydrophobicContact CG2-CD1 3.7Å; I511-I536 HydrophobicContact CG2-CG1 4.06Å; V512-I536 PolarHBondContact O-N 2.98Å; L513-I536 HydrophobicContact CD1-CB 4.3Å; L513-I536 HydrophobicContact CD1-CG2 4.19Å; W514-I536 PolarHBondContact N-O 3.27Å; I534-I536 HydrophobicContact CG2-CG1 4.21Å; I536-Y550 HydrophobicContact CD1-CD1 4.23Å; I536-Y550 HydrophobicContact CD1-CE1 4.48Å; I536-Y550 HydrophobicContact CG2-CE1 4.25Å
537	E	89.2	Confident	89.9	Confident	95 Å²	95	51.2 Å²	51.2	44%	0.444	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.8	169.8	-173.1	164.9	-165.1	0	0	108.9	E539 K541	E537-E539 PolarHBondContact O-N 3.35Å; E537-K541 IonicContact OE1-NZ 3.19Å; E537-K541 PolarHBondContact OE1-NZ 3.1Å
538	G	79.8	Confident	90.1	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.031	31%	0.307	C	S	.	.			trans	-70.1	128.1	-178.2	0	0	0	0	0	111.3	W514 N515 S540 K541	W514-G538 PolarHBondContact O-N 3.36Å; N515-G538 WeakPolarHBondContact OD1-CA 3.32Å; G538-S540 PolarHBondContact O-N 3.33Å; G538-K541 WeakPolarHBondContact O-CG 3.41Å
539	E	79.5	Confident	90.4	Very high	203 Å²	203	51.3 Å²	51.3	95%	0.949	29%	0.285	S	S	*	.	S	Bend	trans	-60	-45.8	-178.1	-64.7	-179.1	174.8	0	0	112.7	E537	E537-E539 PolarHBondContact O-N 3.35Å
540	S	79.7	Confident	90.5	Very high	75 Å²	75	51.4 Å²	51.4	52%	0.524	28%	0.281	S	S	.	.	S	Bend	trans	-102.1	-6.1	-178.4	56	0	0	0	0	114	G538 V542	G538-S540 PolarHBondContact O-N 3.33Å; S540-V542 WeakPolarHBondContact O-CG1 3.41Å; S540-V542 PolarHBondContact O-N 2.98Å
541	K	85.4	Confident	90.6	Very high	63 Å²	63	55.1 Å²	55.1	27%	0.274	29%	0.294	S	S	.	.			trans	48.7	26.8	-178	-56.6	-171.3	179.6	-170.3	0	115.3	N515 C516 E537 G538	N515-K541 HydrophobicContact CB-CB 4.27Å; C516-K541 PolarHBondContact O-NZ 2.74Å; E537-K541 IonicContact OE1-NZ 3.19Å; E537-K541 PolarHBondContact OE1-NZ 3.1Å; G538-K541 WeakPolarHBondContact O-CG 3.41Å
542	V	90.2	Very high	90.6	Very high	37 Å²	37	57 Å²	57	22%	0.224	31%	0.305	C	S	.	.			trans	-85.7	163.5	178.7	-60.1	0	0	0	0	112.7	N515 S540 S544 S545 D644	N515-V542 PolarHBondContact ND2-O 2.68Å; S540-V542 WeakPolarHBondContact O-CG1 3.41Å; S540-V542 PolarHBondContact O-N 2.98Å; V542-S544 VanDerWaalsContact C-N 3.32Å; V542-S544 PolarHBondContact O-N 3.35Å; V542-S545 WeakPolarHBondContact CG2-OG 3.24Å; V542-S545 WeakPolarHBondContact O-CB 3.41Å; V542-S545 PolarHBondContact O-N 3.07Å; V542-S545 PolarHBondContact O-OG 3.11Å; V542-S545 VanDerWaalsContact O-OG 3.1Å; V542-D644 HydrophobicContact CB-CB 4.02Å; V542-D644 WeakPolarHBondContact CB-OD1 3.34Å; V542-D644 HydrophobicContact CG1-CB 4.04Å; V542-D644 HydrophobicContact CG2-CB 4.44Å; V542-D644 WeakPolarHBondContact CG2-OD1 3.34Å
543	I	89.5	Confident	90.7	Very high	23 Å²	23	53.6 Å²	53.6	12%	0.118	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-65.7	-34.5	-177.4	-164	166.8	0	0	0	112.6	S545 V643 E650	I543-S545 VanDerWaalsContact C-N 3.26Å; I543-S545 PolarHBondContact O-N 2.97Å; I543-V643 HydrophobicContact CG2-CG1 3.95Å; I543-E650 HydrophobicContact CD1-CG 4.28Å; I543-E650 VanDerWaalsContact CD1-OE2 3.3Å; I543-E650 WeakPolarHBondContact CD1-OE2 3.49Å; I543-E650 HydrophobicContact CG1-CG 4.03Å; I543-E650 HydrophobicContact CG2-CB 4.22Å
544	S	92.1	Very high	90.7	Very high	11 Å²	11	54.8 Å²	54.8	8%	0.077	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-76.7	-7.8	-178.5	72.3	0	0	0	0	114.3	V542 R546 F547 D644	V542-S544 VanDerWaalsContact C-N 3.32Å; V542-S544 PolarHBondContact O-N 3.35Å; S544-R546 PolarHBondContact O-N 2.66Å; S544-F547 PolarHBondContact O-N 3.05Å; S544-D644 WeakPolarHBondContact CB-OD1 3.22Å; S544-D644 PolarHBondContact N-OD1 3.48Å; S544-D644 VanDerWaalsContact OG-CG 3.25Å; S544-D644 PolarHBondContact OG-OD1 3.31Å; S544-D644 PolarHBondContact OG-OD2 2.89Å
545	S	92.3	Very high	90.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-54.2	-30.2	178.5	-60.4	0	0	0	0	112.4	V542 I543 F547 L548 Y550	V542-S545 WeakPolarHBondContact CG2-OG 3.24Å; V542-S545 WeakPolarHBondContact O-CB 3.41Å; V542-S545 PolarHBondContact O-N 3.07Å; V542-S545 PolarHBondContact O-OG 3.11Å; V542-S545 VanDerWaalsContact O-OG 3.1Å; I543-S545 VanDerWaalsContact C-N 3.26Å; I543-S545 PolarHBondContact O-N 2.97Å; S545-F547 PolarHBondContact O-N 2.78Å; S545-F547 VanDerWaalsContact O-N 3.09Å; S545-L548 WeakPolarHBondContact O-CB 3.47Å; S545-L548 WeakPolarHBondContact O-CG 3.49Å; S545-L548 PolarHBondContact O-N 3.25Å; S545-L548 VanDerWaalsContact O-N 3.12Å; S545-Y550 WeakPolarHBondContact O-CE2 3.21Å; S545-Y550 PolarHBondContact O-OH 2.84Å
546	R	93.1	Very high	91	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-62.7	-13.8	176.4	74.6	-173.9	-59.1	169.6	15	114.9	I480 L513 S544 S560 L561 D562 T618 H628	I480-R546 HydrophobicContact CG2-CB 4.49Å; L513-R546 HydrophobicContact CD2-CB 3.94Å; S544-R546 PolarHBondContact O-N 2.66Å; R546-S560 PolarHBondContact NE-OG 2.67Å; R546-S560 PolarHBondContact NH2-OG 3.31Å; R546-L561 VanDerWaalsContact NH2-N 3.11Å; R546-L561 PolarHBondContact NH2-O 3.43Å; R546-D562 IonicContact CZ-OD1 3.04Å; R546-D562 IonicContact NH1-OD1 2.66Å; R546-D562 PolarHBondContact NH1-OD1 3.28Å; R546-D562 IonicContact NH2-OD1 3.54Å; R546-D562 PolarHBondContact NH2-OD1 2.96Å; R546-T618 PolarHBondContact NH2-O 3.02Å; R546-H628 PolarHBondContact O-CE1 2.82Å; R546-H628 PolarHBondContact O-NE2 3.13Å
547	F	95.8	Very high	91.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-107.3	8.7	178.8	-54.5	-42	0	0	0	113.3	S544 S545 T618 Y623 H628 Y631 T632 E650 M654	S544-F547 PolarHBondContact O-N 3.05Å; S545-F547 PolarHBondContact O-N 2.78Å; S545-F547 VanDerWaalsContact O-N 3.09Å; F547-T618 HydrophobicContact CE1-CG2 4.25Å; F547-T618 HydrophobicContact CZ-CG2 4.04Å; F547-Y623 WeakPolarHBondContact CD1-OH 3.42Å; F547-Y623 VanDerWaalsContact CE1-OH 3.3Å; F547-Y623 WeakPolarHBondContact CE1-OH 3.29Å; F547-H628 AromaticContact CD1-NE2 3.94Å; F547-H628 VanDerWaalsContact O-CA 3.3Å; F547-H628 WeakPolarHBondContact O-CA 3.47Å; F547-H628 WeakPolarHBondContact O-CB 3.35Å; F547-Y631 HydrophobicContact CB-CD1 3.96Å; F547-Y631 HydrophobicContact CB-CE1 4.42Å; F547-Y631 HydrophobicContact CB-CG 4.12Å; F547-Y631 HydrophobicContact CD2-CD1 4.17Å; F547-Y631 HydrophobicContact CD2-CD2 4Å; F547-Y631 AromaticContact CD2-CE1 3.96Å; F547-Y631 HydrophobicContact CD2-CE1 3.96Å; F547-Y631 AromaticContact CD2-CE2 3.75Å; F547-Y631 HydrophobicContact CD2-CE2 3.75Å; F547-Y631 HydrophobicContact CD2-CG 4.2Å; F547-Y631 AromaticContact CD2-CZ 3.74Å; F547-Y631 HydrophobicContact CE2-CE2 4.06Å; F547-Y631 HydrophobicContact CG-CG 4.49Å; F547-T632 PolarHBondContact O-OG1 3.09Å; F547-E650 HydrophobicContact CE2-CB 3.75Å; F547-E650 HydrophobicContact CE2-CG 3.6Å; F547-E650 HydrophobicContact CZ-CG 3.98Å; F547-M654 HydrophobicContact CB-CE 4.08Å; F547-M654 HydrophobicContact CD1-CE 3.43Å; F547-M654 VanDerWaalsContact CD1-CE 3.43Å; F547-M654 HydrophobicContact CD2-CE 3.8Å; F547-M654 HydrophobicContact CE1-CE 3.69Å; F547-M654 HydrophobicContact CE2-CB 4.42Å; F547-M654 HydrophobicContact CE2-CE 4Å; F547-M654 HydrophobicContact CG-CE 3.51Å; F547-M654 HydrophobicContact CZ-CB 4.28Å; F547-M654 HydrophobicContact CZ-CE 3.96Å
548	L	94.6	Very high	91.7	Very high	66 Å²	66	44.5 Å²	44.5	35%	0.346	24%	0.244	S	C	.	.	S	Bend	trans	-68	142.4	172	-66.7	174.2	0	0	0	110	S545 Y550 H628 T632	S545-L548 WeakPolarHBondContact O-CB 3.47Å; S545-L548 WeakPolarHBondContact O-CG 3.49Å; S545-L548 PolarHBondContact O-N 3.25Å; S545-L548 VanDerWaalsContact O-N 3.12Å; L548-Y550 HydrophobicContact CB-CD2 4.35Å; L548-Y550 HydrophobicContact CB-CE1 4.29Å; L548-Y550 HydrophobicContact CB-CE2 3.91Å; L548-Y550 WeakPolarHBondContact O-CD2 3.39Å; L548-Y550 PolarHBondContact O-N 3.22Å; L548-H628 PolarHBondContact O-ND1 2.92Å; L548-T632 HydrophobicContact CD2-CG2 4.3Å
549	P	94.4	Very high	92.6	Very high	61 Å²	61	44.4 Å²	44.4	40%	0.396	24%	0.242	S	C	.	.			trans	-77.3	73.5	-178.3	33.2	-35.9	0	0	0	110.5	D551 H628	P549-D551 PolarHBondContact O-N 3.11Å; P549-H628 HydrophobicContact CB-CB 4.5Å
550	Y	93.4	Very high	93.5	Very high	43 Å²	43	34.7 Å²	34.7	17%	0.169	20%	0.197	C	C	.	.			trans	-66	124.8	179.4	-61.9	-74.9	0	0	0	111.4	L513 I536 S545 L548 T552 I553	L513-Y550 WeakPolarHBondContact CD1-OH 3.01Å; I536-Y550 HydrophobicContact CD1-CD1 4.23Å; I536-Y550 HydrophobicContact CD1-CE1 4.48Å; I536-Y550 HydrophobicContact CG2-CE1 4.25Å; S545-Y550 WeakPolarHBondContact O-CE2 3.21Å; S545-Y550 PolarHBondContact O-OH 2.84Å; L548-Y550 HydrophobicContact CB-CD2 4.35Å; L548-Y550 HydrophobicContact CB-CE1 4.29Å; L548-Y550 HydrophobicContact CB-CE2 3.91Å; L548-Y550 WeakPolarHBondContact O-CD2 3.39Å; L548-Y550 PolarHBondContact O-N 3.22Å; Y550-T552 PolarHBondContact O-N 2.96Å; Y550-T552 VanDerWaalsContact O-N 3.08Å; Y550-I553 HydrophobicContact CD2-CD1 4.27Å; Y550-I553 WeakPolarHBondContact O-CB 3.45Å; Y550-I553 PolarHBondContact O-N 3.5Å
551	D	92.4	Very high	94.4	Very high	169 Å²	169	31.1 Å²	31.1	90%	0.904	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.5	176	-63.1	-37.8	0	0	0	112.9	P549 I553	P549-D551 PolarHBondContact O-N 3.11Å; D551-I553 PolarHBondContact O-N 3.48Å
552	T	94.3	Very high	94.8	Very high	60 Å²	60	29.7 Å²	29.7	37%	0.368	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-3.1	175	56.2	0	0	0	0	113.6	Q509 Y550 P554	Q509-T552 PolarHBondContact NE2-O 3.21Å; Y550-T552 PolarHBondContact O-N 2.96Å; Y550-T552 VanDerWaalsContact O-N 3.08Å; T552-P554 WeakPolarHBondContact O-CD 3.21Å
553	I	95.9	Very high	94.9	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.072	16%	0.163	C	C	.	.			trans	-94.9	97.2	176.1	-58.1	167.9	0	0	0	109.9	T478 I480 I511 Y550 D551 V558	T478-I553 HydrophobicContact CG2-CG1 4.3Å; T478-I553 HydrophobicContact CG2-CG2 4.33Å; I480-I553 HydrophobicContact CD1-CD1 3.79Å; I511-I553 HydrophobicContact CD1-CG1 3.72Å; Y550-I553 HydrophobicContact CD2-CD1 4.27Å; Y550-I553 WeakPolarHBondContact O-CB 3.45Å; Y550-I553 PolarHBondContact O-N 3.5Å; D551-I553 PolarHBondContact O-N 3.48Å; I553-V558 HydrophobicContact CG2-CG2 3.97Å
554	P	93.6	Very high	94.8	Very high	83 Å²	83	31.8 Å²	31.8	54%	0.539	18%	0.177	S	C	.	.			trans	-83.7	-15.8	-177.4	34.9	-38.4	0	0	0	113	T552	T552-P554 WeakPolarHBondContact O-CD 3.21Å
555	T	97.1	Very high	94.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-97.1	155.4	-172.2	59.8	0	0	0	0	111.7	Y474 K476 T478 A508 A557 K625	Y474-T555 HydrophobicContact CD1-CG2 3.76Å; Y474-T555 HydrophobicContact CE1-CG2 3.78Å; K476-T555 HydrophobicContact CB-CG2 4.43Å; K476-T555 WeakPolarHBondContact O-CB 3.11Å; T478-T555 VanDerWaalsContact CB-OG1 3.29Å; T478-T555 WeakPolarHBondContact CB-OG1 3.45Å; T478-T555 PolarHBondContact N-OG1 3.2Å; T478-T555 PolarHBondContact OG1-OG1 3.22Å; A508-T555 HydrophobicContact CB-CG2 3.69Å; T555-A557 PolarHBondContact OG1-O 2.96Å; T555-K625 VanDerWaalsContact O-CD 3.28Å; T555-K625 WeakPolarHBondContact O-CD 3.38Å
556	D	96.6	Very high	94.6	Very high	22 Å²	22	34.9 Å²	34.9	12%	0.118	20%	0.195	C	C	.	.	S	Bend	trans	-73.9	-32.3	176.4	-59.4	-28.2	0	0	0	112.2	Y474 W579 H624 K625	Y474-D556 WeakPolarHBondContact CB-OD2 3.21Å; Y474-D556 PolarHBondContact N-OD2 2.99Å; Y474-D556 VanDerWaalsContact N-OD2 3.15Å; D556-W579 HydrophobicContact CB-CH2 4.3Å; D556-H624 CarbonylContact O-C 3.41Å; D556-H624 VanDerWaalsContact O-CA 3.31Å; D556-H624 WeakPolarHBondContact O-CA 3.37Å; D556-K625 PolarHBondContact O-N 3.13Å; D556-K625 VanDerWaalsContact OD1-CE 3.3Å; D556-K625 WeakPolarHBondContact OD1-CE 3.33Å; D556-K625 IonicContact OD1-NZ 2.74Å; D556-K625 PolarHBondContact OD1-NZ 3.36Å
557	A	98.4	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.2	179.8	0	0	0	0	0	112.3	F477 T478 T555 F576 W579 I622	F477-A557 WeakPolarHBondContact CA-O 3.38Å; F477-A557 HydrophobicContact CB-CB 3.63Å; F477-A557 WeakPolarHBondContact CB-O 3.16Å; T478-A557 PolarHBondContact N-O 3.15Å; T555-A557 PolarHBondContact OG1-O 2.96Å; A557-F576 HydrophobicContact CB-CD2 4.27Å; A557-F576 HydrophobicContact CB-CE2 3.7Å; A557-W579 HydrophobicContact CB-CD2 4.19Å; A557-W579 HydrophobicContact CB-CE3 3.79Å; A557-W579 HydrophobicContact CB-CH2 3.61Å; A557-W579 HydrophobicContact CB-CZ2 4Å; A557-W579 HydrophobicContact CB-CZ3 3.51Å; A557-I622 HydrophobicContact CB-CG2 4.09Å
558	V	98.6	Very high	94.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.7	170.4	178.7	0	0	0	0	109.2	T478 I480 I553 I622 Y623 K625	T478-V558 CarbonylContact O-C 3.36Å; T478-V558 WeakPolarHBondContact O-CA 3.5Å; I480-V558 HydrophobicContact CD1-CG1 3.57Å; I480-V558 HydrophobicContact CG1-CG1 3.92Å; I553-V558 HydrophobicContact CG2-CG2 3.97Å; V558-I622 VanDerWaalsContact O-CA 3.28Å; V558-I622 WeakPolarHBondContact O-CA 3.35Å; V558-Y623 HydrophobicContact CB-CE2 4.14Å; V558-Y623 HydrophobicContact CG1-CE2 4.32Å; V558-Y623 PolarHBondContact N-O 3.22Å; V558-Y623 PolarHBondContact O-N 2.95Å; V558-Y623 VanDerWaalsContact O-N 3.12Å; V558-K625 HydrophobicContact CG2-CB 3.97Å
559	L	98.6	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	104.8	167.5	172.7	61.9	0	0	0	109	F477 T478 A479 I480 V501 L561 V572 I622	F477-L559 HydrophobicContact CD2-CB 3.7Å; F477-L559 HydrophobicContact CD2-CD2 4.22Å; F477-L559 HydrophobicContact CE2-CB 4Å; F477-L559 HydrophobicContact CE2-CD2 3.64Å; F477-L559 HydrophobicContact CE2-CG 4.48Å; F477-L559 HydrophobicContact CG-CB 4.41Å; F477-L559 HydrophobicContact CZ-CD2 4.03Å; T478-L559 PolarHBondContact O-N 3.18Å; A479-L559 CarbonylContact C-O 3.49Å; A479-L559 VanDerWaalsContact CA-O 3.27Å; A479-L559 WeakPolarHBondContact CA-O 3.39Å; A479-L559 HydrophobicContact CB-CB 4.33Å; A479-L559 HydrophobicContact CB-CD2 4.4Å; I480-L559 PolarHBondContact N-O 3.29Å; V501-L559 HydrophobicContact CG1-CD2 4.25Å; L559-L561 HydrophobicContact CD1-CD2 4.08Å; L559-L561 HydrophobicContact CD1-CG 4.21Å; L559-L561 HydrophobicContact CD2-CD1 3.92Å; L559-L561 HydrophobicContact CD2-CG 4.41Å; L559-L561 HydrophobicContact CG-CD1 3.93Å; L559-L561 HydrophobicContact CG-CD2 4.3Å; L559-L561 HydrophobicContact CG-CG 3.94Å; L559-V572 HydrophobicContact CD2-CG1 3.75Å; L559-V572 HydrophobicContact CD2-CG2 4.39Å; L559-I622 HydrophobicContact CB-CG1 4.05Å; L559-I622 HydrophobicContact CD1-CD1 4.17Å; L559-I622 HydrophobicContact CD1-CG1 3.48Å; L559-I622 VanDerWaalsContact CD1-CG1 3.48Å; L559-I622 HydrophobicContact CG-CG1 4.3Å
560	S	98.3	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.8	-178.1	-176.1	0	0	0	0	110.2	R546 T618 G619 A620 A621 Y623	R546-S560 PolarHBondContact NE-OG 2.67Å; R546-S560 PolarHBondContact NH2-OG 3.31Å; S560-T618 CarbonylContact C-O 3.6Å; S560-T618 WeakPolarHBondContact CB-O 3.43Å; S560-T618 VanDerWaalsContact O-O 3.09Å; S560-T618 PolarHBondContact OG-O 3.11Å; S560-G619 CarbonylContact O-C 3.35Å; S560-A620 WeakPolarHBondContact O-CA 3.48Å; S560-A621 PolarHBondContact N-O 3.1Å; S560-A621 PolarHBondContact O-N 3.45Å; S560-A621 VanDerWaalsContact O-N 3.1Å; S560-Y623 VanDerWaalsContact CB-CE1 3.48Å; S560-Y623 WeakPolarHBondContact CB-OH 3.35Å; S560-Y623 PolarHBondContact OG-OH 2.55Å
561	L	97.2	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.3	-172.3	-65.8	166.8	0	0	0	112.7	I480 I481 H482 L497 V501 R546 L559 T565 L567 G619 A620	I480-L561 PolarHBondContact O-N 3.22Å; I481-L561 WeakPolarHBondContact CA-O 3.26Å; I481-L561 HydrophobicContact CG1-CB 4.22Å; I481-L561 HydrophobicContact CG1-CD1 4.15Å; H482-L561 PolarHBondContact N-O 3.27Å; L497-L561 HydrophobicContact CD1-CD1 4.24Å; L497-L561 HydrophobicContact CD2-CB 4.2Å; L497-L561 HydrophobicContact CD2-CD1 4.32Å; L497-L561 HydrophobicContact CG-CD1 4.38Å; V501-L561 HydrophobicContact CG2-CD1 3.61Å; R546-L561 VanDerWaalsContact NH2-N 3.11Å; R546-L561 PolarHBondContact NH2-O 3.43Å; L559-L561 HydrophobicContact CD1-CD2 4.08Å; L559-L561 HydrophobicContact CD1-CG 4.21Å; L559-L561 HydrophobicContact CD2-CD1 3.92Å; L559-L561 HydrophobicContact CD2-CG 4.41Å; L559-L561 HydrophobicContact CG-CD1 3.93Å; L559-L561 HydrophobicContact CG-CD2 4.3Å; L559-L561 HydrophobicContact CG-CG 3.94Å; L561-T565 HydrophobicContact CD2-CG2 3.83Å; L561-L567 HydrophobicContact CD2-CD1 3.75Å; L561-G619 CarbonylContact C-O 3.41Å; L561-G619 WeakPolarHBondContact CA-O 3.24Å; L561-A620 HydrophobicContact CD2-CB 4.39Å
562	D	94.3	Very high	94.2	Very high	32 Å²	32	27.6 Å²	27.6	17%	0.171	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	150.5	166.9	-63.9	-13.5	0	0	0	110.2	L497 R546 D564 T565 G619	L497-D562 WeakPolarHBondContact CD2-O 3.32Å; R546-D562 IonicContact CZ-OD1 3.04Å; R546-D562 IonicContact NH1-OD1 2.66Å; R546-D562 PolarHBondContact NH1-OD1 3.28Å; R546-D562 IonicContact NH2-OD1 3.54Å; R546-D562 PolarHBondContact NH2-OD1 2.96Å; D562-D564 WeakPolarHBondContact CB-OD1 3.2Å; D562-D564 PolarHBondContact O-N 2.83Å; D562-D564 VanDerWaalsContact O-N 3.13Å; D562-T565 VanDerWaalsContact O-CB 3.22Å; D562-T565 WeakPolarHBondContact O-CB 3.3Å; D562-T565 PolarHBondContact O-N 3.22Å; D562-T565 PolarHBondContact O-OG1 3.42Å; D562-G619 PolarHBondContact N-O 2.81Å; D562-G619 VanDerWaalsContact OD1-CA 3.22Å; D562-G619 WeakPolarHBondContact OD1-CA 3.26Å; D562-G619 VanDerWaalsContact OD2-CA 3.28Å; D562-G619 WeakPolarHBondContact OD2-CA 3.49Å
563	E	91.8	Very high	94.3	Very high	29 Å²	29	25.9 Å²	25.9	14%	0.136	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.2	-177	61	177.7	-161.7	0	0	115.3	H482 V483 V484 T485 V494	H482-E563 WeakPolarHBondContact O-CB 3.42Å; H482-E563 PolarHBondContact O-N 3.3Å; V483-E563 WeakPolarHBondContact CA-OE2 3.27Å; V483-E563 WeakPolarHBondContact CG1-OE2 3.38Å; V483-E563 HydrophobicContact CG2-CB 4.41Å; V484-E563 WeakPolarHBondContact CG2-OE1 3.38Å; V484-E563 PolarHBondContact N-OE2 3.1Å; T485-E563 WeakPolarHBondContact CB-OE1 3.36Å; T485-E563 WeakPolarHBondContact CG2-OE1 3.45Å; T485-E563 PolarHBondContact N-OE1 3.45Å; T485-E563 PolarHBondContact N-OE2 3.49Å; T485-E563 PolarHBondContact OG1-OE1 2.89Å; T485-E563 PolarHBondContact OG1-OE2 2.85Å; T485-E563 VanDerWaalsContact OG1-OE2 3.06Å; V494-E563 WeakPolarHBondContact CA-O 3.33Å; V494-E563 HydrophobicContact CB-CB 4.18Å; V494-E563 HydrophobicContact CG2-CB 4.08Å; V494-E563 PolarHBondContact N-O 3.39Å
564	D	88.2	Confident	94.2	Very high	76 Å²	76	27.1 Å²	27.1	41%	0.406	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1	179.7	69.6	-22.1	0	0	0	113.3	D562 V566	D562-D564 WeakPolarHBondContact CB-OD1 3.2Å; D562-D564 PolarHBondContact O-N 2.83Å; D562-D564 VanDerWaalsContact O-N 3.13Å; D564-V566 PolarHBondContact O-N 2.72Å
565	T	90.7	Very high	94.4	Very high	18 Å²	18	23.2 Å²	23.2	11%	0.11	13%	0.131	C	C	.	.			trans	-66.5	133.1	179.9	-65.8	0	0	0	0	111.2	L497 L561 D562 L567 G619 A620	L497-T565 HydrophobicContact CD1-CG2 4.32Å; L497-T565 WeakPolarHBondContact CD1-O 2.99Å; L561-T565 HydrophobicContact CD2-CG2 3.83Å; D562-T565 VanDerWaalsContact O-CB 3.22Å; D562-T565 WeakPolarHBondContact O-CB 3.3Å; D562-T565 PolarHBondContact O-N 3.22Å; D562-T565 PolarHBondContact O-OG1 3.42Å; T565-L567 HydrophobicContact CG2-CD1 3.65Å; T565-L567 HydrophobicContact CG2-CG 3.63Å; T565-G619 PolarHBondContact OG1-O 3.41Å; T565-A620 HydrophobicContact CG2-CB 4Å
566	V	89	Confident	94.4	Very high	59 Å²	59	23.2 Å²	23.2	36%	0.358	13%	0.131	S	C	.	.			trans	-114.4	93.9	179.9	-175.4	0	0	0	0	109.7	D564 Q671	D564-V566 PolarHBondContact O-N 2.72Å; V566-Q671 PolarHBondContact O-NE2 2.91Å
567	L	90.4	Very high	94.4	Very high	11 Å²	11	25 Å²	25	6%	0.058	14%	0.143	C	C	.	.			trans	-124	140.5	178.4	-67.1	172	0	0	0	111.3	L497 A500 L561 T565 E571 V572 Y589 A620 Q671	L497-L567 HydrophobicContact CD1-CB 4.33Å; A500-L567 VanDerWaalsContact CB-O 3.31Å; A500-L567 WeakPolarHBondContact CB-O 3.42Å; L561-L567 HydrophobicContact CD2-CD1 3.75Å; T565-L567 HydrophobicContact CG2-CD1 3.65Å; T565-L567 HydrophobicContact CG2-CG 3.63Å; L567-E571 HydrophobicContact CD2-CB 4.37Å; L567-V572 HydrophobicContact CB-CG2 4.14Å; L567-V572 HydrophobicContact CD1-CG2 4.45Å; L567-Y589 HydrophobicContact CD1-CD2 4.1Å; L567-Y589 HydrophobicContact CD1-CE2 3.48Å; L567-Y589 VanDerWaalsContact CD1-CE2 3.48Å; L567-Y589 HydrophobicContact CD2-CD1 4.12Å; L567-Y589 HydrophobicContact CD2-CD2 4.09Å; L567-Y589 HydrophobicContact CD2-CE1 3.8Å; L567-Y589 HydrophobicContact CD2-CE2 3.8Å; L567-Y589 HydrophobicContact CD2-CG 4.26Å; L567-Y589 HydrophobicContact CG-CE2 4.31Å; L567-A620 HydrophobicContact CD1-CB 4.5Å; L567-Q671 HydrophobicContact CD2-CG 4.06Å
568	S	92.4	Very high	94.3	Very high	40 Å²	40	25.5 Å²	25.5	28%	0.28	15%	0.146	S	C	.	.			trans	-81.9	155.6	168.3	68.5	0	0	0	0	111.2	T570 E571 V572	S568-T570 PolarHBondContact O-N 2.92Å; S568-T570 PolarHBondContact OG-OG1 3.47Å; S568-E571 VanDerWaalsContact CB-OE2 3.27Å; S568-E571 WeakPolarHBondContact CB-OE2 3.27Å; S568-E571 PolarHBondContact N-OE2 3.18Å; S568-E571 PolarHBondContact O-N 2.94Å; S568-E571 VanDerWaalsContact OG-CD 3.28Å; S568-E571 WeakPolarHBondContact OG-CG 3.33Å; S568-E571 PolarHBondContact OG-N 2.84Å; S568-E571 PolarHBondContact OG-OE2 2.65Å; S568-V572 PolarHBondContact O-N 3.5Å; S568-V572 VanDerWaalsContact O-N 3.14Å
569	T	93.8	Very high	94.3	Very high	35 Å²	35	25.5 Å²	25.5	22%	0.215	15%	0.146	C	C	.	.	H	α-helix	trans	-54.3	-37.4	174.9	-50.5	0	0	0	0	112.3	A500 K503 E571 V572 D573	A500-T569 WeakPolarHBondContact O-CB 3.5Å; A500-T569 PolarHBondContact O-OG1 2.74Å; K503-T569 HydrophobicContact CB-CG2 4.01Å; T569-E571 VanDerWaalsContact C-N 3.35Å; T569-E571 PolarHBondContact O-N 3.29Å; T569-V572 PolarHBondContact O-N 3.39Å; T569-D573 PolarHBondContact O-N 3.46Å
570	T	91.6	Very high	94.2	Very high	85 Å²	85	28.3 Å²	28.3	52%	0.521	16%	0.159	S	C	.	.	H	α-helix	trans	-67.6	-32.8	179	52.9	0	0	0	0	113.6	S568 F574	S568-T570 PolarHBondContact O-N 2.92Å; S568-T570 PolarHBondContact OG-OG1 3.47Å; T570-F574 WeakPolarHBondContact O-CB 3.43Å; T570-F574 PolarHBondContact O-N 3.03Å; T570-F574 VanDerWaalsContact O-N 3.11Å
571	E	93	Very high	94.1	Very high	16 Å²	16	32.1 Å²	32.1	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-72.2	-42.6	176.3	-71.2	161.1	129.9	0	0	110.2	L567 S568 T569 D573 F574 A575 Y589 Q671 K672	L567-E571 HydrophobicContact CD2-CB 4.37Å; S568-E571 VanDerWaalsContact CB-OE2 3.27Å; S568-E571 WeakPolarHBondContact CB-OE2 3.27Å; S568-E571 PolarHBondContact N-OE2 3.18Å; S568-E571 PolarHBondContact O-N 2.94Å; S568-E571 VanDerWaalsContact OG-CD 3.28Å; S568-E571 WeakPolarHBondContact OG-CG 3.33Å; S568-E571 PolarHBondContact OG-N 2.84Å; S568-E571 PolarHBondContact OG-OE2 2.65Å; T569-E571 VanDerWaalsContact C-N 3.35Å; T569-E571 PolarHBondContact O-N 3.29Å; E571-D573 PolarHBondContact O-N 3.11Å; E571-F574 PolarHBondContact O-N 3.46Å; E571-A575 WeakPolarHBondContact O-CB 3.44Å; E571-A575 PolarHBondContact O-N 3.13Å; E571-Y589 HydrophobicContact CB-CE1 4.15Å; E571-Y589 PolarHBondContact O-OH 3.47Å; E571-Q671 VanDerWaalsContact OE1-CA 3.22Å; E571-Q671 WeakPolarHBondContact OE1-CA 3.43Å; E571-Q671 VanDerWaalsContact OE1-CG 3.28Å; E571-Q671 WeakPolarHBondContact OE1-CG 3.35Å; E571-K672 PolarHBondContact OE1-N 3.04Å
572	V	95.4	Very high	94	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-49.4	174.5	173.7	0	0	0	0	111.2	F477 V501 L559 L567 S568 T569 F574 A575 F576	F477-V572 HydrophobicContact CE1-CG1 3.88Å; F477-V572 HydrophobicContact CE2-CG1 4.35Å; F477-V572 HydrophobicContact CZ-CG1 3.44Å; F477-V572 VanDerWaalsContact CZ-CG1 3.44Å; V501-V572 HydrophobicContact CG2-CG2 4.28Å; L559-V572 HydrophobicContact CD2-CG1 3.75Å; L559-V572 HydrophobicContact CD2-CG2 4.39Å; L567-V572 HydrophobicContact CB-CG2 4.14Å; L567-V572 HydrophobicContact CD1-CG2 4.45Å; S568-V572 PolarHBondContact O-N 3.5Å; S568-V572 VanDerWaalsContact O-N 3.14Å; T569-V572 PolarHBondContact O-N 3.39Å; V572-F574 VanDerWaalsContact C-N 3.34Å; V572-F574 PolarHBondContact O-N 3.34Å; V572-A575 PolarHBondContact O-N 2.86Å; V572-F576 PolarHBondContact O-N 3.37Å
573	D	95.8	Very high	94.1	Very high	24 Å²	24	33.3 Å²	33.3	13%	0.128	19%	0.191	C	C	.	.	H	α-helix	trans	-59.9	-43.6	178.1	-78.7	6.6	0	0	0	112.1	S504 Q505 Y506 T569 E571 F576 T577	S504-D573 WeakPolarHBondContact CB-OD1 3.23Å; S504-D573 PolarHBondContact OG-OD1 3.14Å; Q505-D573 PolarHBondContact NE2-OD2 3.22Å; Y506-D573 HydrophobicContact CD2-CB 4.09Å; Y506-D573 HydrophobicContact CE2-CB 3.97Å; T569-D573 PolarHBondContact O-N 3.46Å; E571-D573 PolarHBondContact O-N 3.11Å; D573-F576 PolarHBondContact O-N 2.95Å; D573-T577 PolarHBondContact O-N 2.97Å; D573-T577 PolarHBondContact O-OG1 3.26Å
574	F	94.6	Very high	94.4	Very high	40 Å²	40	33.3 Å²	33.3	18%	0.175	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-48.2	177.8	176.1	-106.2	0	0	0	112.1	T570 E571 V572 F576 T577 V578 V669 L721 D722 P723	T570-F574 WeakPolarHBondContact O-CB 3.43Å; T570-F574 PolarHBondContact O-N 3.03Å; T570-F574 VanDerWaalsContact O-N 3.11Å; E571-F574 PolarHBondContact O-N 3.46Å; V572-F574 VanDerWaalsContact C-N 3.34Å; V572-F574 PolarHBondContact O-N 3.34Å; F574-F576 VanDerWaalsContact C-N 3.26Å; F574-F576 PolarHBondContact O-N 3.29Å; F574-T577 WeakPolarHBondContact O-CB 3.37Å; F574-T577 PolarHBondContact O-N 3.19Å; F574-T577 VanDerWaalsContact O-N 3.17Å; F574-V578 HydrophobicContact CD1-CG2 4.36Å; F574-V578 HydrophobicContact CD2-CG2 4.39Å; F574-V578 HydrophobicContact CE1-CG2 3.86Å; F574-V578 HydrophobicContact CE2-CG2 3.88Å; F574-V578 HydrophobicContact CZ-CG2 3.59Å; F574-V578 WeakPolarHBondContact O-CG2 3.47Å; F574-V578 PolarHBondContact O-N 2.05Å; F574-V669 HydrophobicContact CD1-CB 4.41Å; F574-V669 HydrophobicContact CD1-CG1 4.35Å; F574-V669 HydrophobicContact CE1-CB 4.07Å; F574-V669 HydrophobicContact CE1-CG1 3.83Å; F574-L721 WeakPolarHBondContact CE1-O 3.42Å; F574-L721 HydrophobicContact CZ-CB 4.19Å; F574-D722 WeakPolarHBondContact CZ-O 3.21Å; F574-P723 HydrophobicContact CD1-CB 4.39Å; F574-P723 HydrophobicContact CD1-CG 4.45Å; F574-P723 HydrophobicContact CD2-CB 3.83Å; F574-P723 HydrophobicContact CE2-CB 4.06Å; F574-P723 HydrophobicContact CG-CB 4.01Å; F574-P723 HydrophobicContact CG-CG 4.49Å; F574-P723 HydrophobicContact CZ-CB 4.44Å; F574-P723 VanDerWaalsContact CZ-N 3.27Å
575	A	96.4	Very high	94.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-39.6	178.2	0	0	0	0	0	111.6	E571 V572 V578 W579 Y589 I622 V669	E571-A575 WeakPolarHBondContact O-CB 3.44Å; E571-A575 PolarHBondContact O-N 3.13Å; V572-A575 PolarHBondContact O-N 2.86Å; A575-V578 PolarHBondContact O-N 3.47Å; A575-W579 WeakPolarHBondContact O-CB 3.27Å; A575-W579 PolarHBondContact O-N 2.91Å; A575-Y589 HydrophobicContact CB-CE2 4.42Å; A575-Y589 WeakPolarHBondContact CB-OH 3.41Å; A575-I622 HydrophobicContact CB-CD1 3.95Å; A575-V669 HydrophobicContact CB-CG2 4.15Å
576	F	97.8	Very high	95.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-43.2	176.2	-179.4	-109.3	0	0	0	112.2	P475 F477 Y506 A557 V572 D573 F574 V578 W579 Q580 I622	P475-F576 VanDerWaalsContact O-CE1 3.27Å; P475-F576 WeakPolarHBondContact O-CE1 3.47Å; F477-F576 HydrophobicContact CB-CD2 3.91Å; F477-F576 HydrophobicContact CB-CE2 3.83Å; F477-F576 HydrophobicContact CD1-CB 4.05Å; F477-F576 HydrophobicContact CD1-CD1 4.3Å; F477-F576 AromaticContact CD1-CD2 3.57Å; F477-F576 HydrophobicContact CD1-CD2 3.57Å; F477-F576 HydrophobicContact CD1-CE2 4.07Å; F477-F576 AromaticContact CD1-CG 3.69Å; F477-F576 HydrophobicContact CD1-CG 3.69Å; F477-F576 HydrophobicContact CE1-CB 4.27Å; F477-F576 HydrophobicContact CE1-CG 4.31Å; F477-F576 HydrophobicContact CG-CD2 4.15Å; F477-F576 HydrophobicContact CG-CE2 4.46Å; Y506-F576 VanDerWaalsContact CB-CD1 3.43Å; Y506-F576 AromaticContact CD1-CD1 3.8Å; Y506-F576 HydrophobicContact CD1-CD1 3.8Å; Y506-F576 AromaticContact CD1-CE1 3.7Å; Y506-F576 HydrophobicContact CD1-CE1 3.7Å; Y506-F576 AromaticContact CD2-CD1 3.73Å; Y506-F576 HydrophobicContact CD2-CD1 3.73Å; Y506-F576 HydrophobicContact CD2-CE1 4.46Å; Y506-F576 HydrophobicContact CE1-CD1 4.48Å; Y506-F576 HydrophobicContact CE1-CE1 4.48Å; Y506-F576 HydrophobicContact CE2-CD1 4.41Å; Y506-F576 AromaticContact CG-CD1 3.37Å; Y506-F576 HydrophobicContact CG-CD1 3.37Å; Y506-F576 AromaticContact CG-CE1 3.69Å; Y506-F576 HydrophobicContact CG-CE1 3.69Å; Y506-F576 HydrophobicContact CG-CG 4.4Å; A557-F576 HydrophobicContact CB-CD2 4.27Å; A557-F576 HydrophobicContact CB-CE2 3.7Å; V572-F576 PolarHBondContact O-N 3.37Å; D573-F576 PolarHBondContact O-N 2.95Å; F574-F576 VanDerWaalsContact C-N 3.26Å; F574-F576 PolarHBondContact O-N 3.29Å; F576-V578 VanDerWaalsContact C-N 3.28Å; F576-V578 PolarHBondContact O-N 2.85Å; F576-W579 HydrophobicContact CD2-CE3 4.23Å; F576-W579 AromaticContact CE2-CE3 3.91Å; F576-W579 HydrophobicContact CE2-CE3 3.91Å; F576-W579 HydrophobicContact CE2-CZ3 4.15Å; F576-W579 PolarHBondContact O-N 3.23Å; F576-W579 VanDerWaalsContact O-N 3.11Å; F576-Q580 HydrophobicContact CD1-CG 4.37Å; F576-Q580 HydrophobicContact CE1-CG 3.95Å; F576-Q580 HydrophobicContact CE2-CG 4.29Å; F576-Q580 HydrophobicContact CZ-CG 3.91Å; F576-Q580 WeakPolarHBondContact O-CG 3.06Å; F576-Q580 PolarHBondContact O-N 2.75Å; F576-I622 HydrophobicContact CB-CD1 3.88Å; F576-I622 HydrophobicContact CD2-CD1 4.4Å
577	T	96.1	Very high	95.7	Very high	60 Å²	60	28.1 Å²	28.1	37%	0.368	16%	0.158	S	C	.	.	H	α-helix	trans	-60	-40.1	175.7	-56.8	0	0	0	0	111.6	D573 F574 Q580	D573-T577 PolarHBondContact O-N 2.97Å; D573-T577 PolarHBondContact O-OG1 3.26Å; F574-T577 WeakPolarHBondContact O-CB 3.37Å; F574-T577 PolarHBondContact O-N 3.19Å; F574-T577 VanDerWaalsContact O-N 3.17Å; T577-Q580 PolarHBondContact O-N 2.91Å
578	V	96.7	Very high	95.9	Very high	10 Å²	10	27.6 Å²	27.6	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-64.3	-46.5	173.8	173.4	0	0	0	0	110.7	F574 A575 F576 Q580 S581 F582 V587 I667 V669 L721	F574-V578 HydrophobicContact CD1-CG2 4.36Å; F574-V578 HydrophobicContact CD2-CG2 4.39Å; F574-V578 HydrophobicContact CE1-CG2 3.86Å; F574-V578 HydrophobicContact CE2-CG2 3.88Å; F574-V578 HydrophobicContact CZ-CG2 3.59Å; F574-V578 WeakPolarHBondContact O-CG2 3.47Å; F574-V578 PolarHBondContact O-N 2.05Å; A575-V578 PolarHBondContact O-N 3.47Å; F576-V578 VanDerWaalsContact C-N 3.28Å; F576-V578 PolarHBondContact O-N 2.85Å; V578-Q580 VanDerWaalsContact C-N 3.29Å; V578-Q580 PolarHBondContact O-N 3.4Å; V578-S581 WeakPolarHBondContact O-CB 3.36Å; V578-S581 PolarHBondContact O-N 3.45Å; V578-F582 HydrophobicContact CG1-CD2 4.04Å; V578-F582 HydrophobicContact CG1-CE2 4.36Å; V578-F582 WeakPolarHBondContact O-CD2 3.28Å; V578-F582 PolarHBondContact O-N 2.83Å; V578-V587 HydrophobicContact CB-CG1 4.03Å; V578-V587 HydrophobicContact CG1-CG1 3.59Å; V578-V587 HydrophobicContact CG1-CG2 4.39Å; V578-I667 HydrophobicContact CG1-CG2 3.88Å; V578-V669 HydrophobicContact CB-CG1 4.21Å; V578-V669 HydrophobicContact CG1-CG1 4.09Å; V578-V669 HydrophobicContact CG2-CG1 4.06Å; V578-L721 HydrophobicContact CB-CD1 4.46Å; V578-L721 HydrophobicContact CG1-CD1 3.52Å; V578-L721 HydrophobicContact CG2-CB 4.28Å; V578-L721 HydrophobicContact CG2-CD1 4.11Å
579	W	97.9	Very high	96	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-37	178.2	178.9	86	0	0	0	112.8	P473 D556 A557 A575 F576 S581 F582 P583 V587 I622 H624	P473-W579 HydrophobicContact CB-CH2 3.76Å; P473-W579 HydrophobicContact CB-CZ3 3.6Å; P473-W579 HydrophobicContact CG-CH2 4.37Å; P473-W579 HydrophobicContact CG-CZ3 3.86Å; D556-W579 HydrophobicContact CB-CH2 4.3Å; A557-W579 HydrophobicContact CB-CD2 4.19Å; A557-W579 HydrophobicContact CB-CE3 3.79Å; A557-W579 HydrophobicContact CB-CH2 3.61Å; A557-W579 HydrophobicContact CB-CZ2 4Å; A557-W579 HydrophobicContact CB-CZ3 3.51Å; A575-W579 WeakPolarHBondContact O-CB 3.27Å; A575-W579 PolarHBondContact O-N 2.91Å; F576-W579 HydrophobicContact CD2-CE3 4.23Å; F576-W579 AromaticContact CE2-CE3 3.91Å; F576-W579 HydrophobicContact CE2-CE3 3.91Å; F576-W579 HydrophobicContact CE2-CZ3 4.15Å; F576-W579 PolarHBondContact O-N 3.23Å; F576-W579 VanDerWaalsContact O-N 3.11Å; W579-S581 PolarHBondContact O-N 2.98Å; W579-S581 VanDerWaalsContact O-N 3.11Å; W579-F582 CarbonylContact O-C 3.55Å; W579-F582 WeakPolarHBondContact O-CA 3.25Å; W579-F582 PolarHBondContact O-N 3.43Å; W579-P583 HydrophobicContact CH2-CB 4.17Å; W579-P583 HydrophobicContact CZ2-CB 4.02Å; W579-P583 PolarHBondContact NE1-O 3.39Å; W579-P583 WeakPolarHBondContact O-CA 3.18Å; W579-V587 HydrophobicContact CB-CB 4.13Å; W579-V587 HydrophobicContact CB-CG2 3.95Å; W579-V587 HydrophobicContact CG-CG2 4.36Å; W579-I622 HydrophobicContact CB-CB 4.15Å; W579-I622 HydrophobicContact CB-CG2 3.85Å; W579-I622 HydrophobicContact CD2-CG2 3.78Å; W579-I622 HydrophobicContact CE3-CG2 4.48Å; W579-I622 HydrophobicContact CG-CB 4.07Å; W579-I622 HydrophobicContact CG-CG2 3.43Å; W579-I622 VanDerWaalsContact CG-CG2 3.43Å; W579-H624 HydrophobicContact CZ2-CB 4.15Å
580	Q	96.6	Very high	95.9	Very high	59 Å²	59	25.9 Å²	25.9	28%	0.276	14%	0.142	S	C	.	.	H	α-helix	trans	-60.3	-23.9	175.1	-69.9	-175.4	-53.6	0	0	113.5	P473 F576 T577 V578	P473-Q580 HydrophobicContact CG-CB 4.28Å; P473-Q580 HydrophobicContact CG-CG 4.24Å; F576-Q580 HydrophobicContact CD1-CG 4.37Å; F576-Q580 HydrophobicContact CE1-CG 3.95Å; F576-Q580 HydrophobicContact CE2-CG 4.29Å; F576-Q580 HydrophobicContact CZ-CG 3.91Å; F576-Q580 WeakPolarHBondContact O-CG 3.06Å; F576-Q580 PolarHBondContact O-N 2.75Å; T577-Q580 PolarHBondContact O-N 2.91Å; V578-Q580 VanDerWaalsContact C-N 3.29Å; V578-Q580 PolarHBondContact O-N 3.4Å
581	S	95.5	Very high	95.9	Very high	81 Å²	81	22.5 Å²	22.5	57%	0.566	12%	0.123	S	C	*	.	H	α-helix	trans	-85.6	-18.4	174.6	-55.2	0	0	0	0	113	V578 W579	V578-S581 WeakPolarHBondContact O-CB 3.36Å; V578-S581 PolarHBondContact O-N 3.45Å; W579-S581 PolarHBondContact O-N 2.98Å; W579-S581 VanDerWaalsContact O-N 3.11Å
582	F	96.8	Very high	96	Very high	43 Å²	43	22.7 Å²	22.7	19%	0.189	12%	0.123	C	C	.	.	S	Bend	trans	-137.6	57.1	-176.9	-53.4	-66.2	0	0	0	111.4	V578 W579 D584 R585 I667 M719 L721	V578-F582 HydrophobicContact CG1-CD2 4.04Å; V578-F582 HydrophobicContact CG1-CE2 4.36Å; V578-F582 WeakPolarHBondContact O-CD2 3.28Å; V578-F582 PolarHBondContact O-N 2.83Å; W579-F582 CarbonylContact O-C 3.55Å; W579-F582 WeakPolarHBondContact O-CA 3.25Å; W579-F582 PolarHBondContact O-N 3.43Å; F582-D584 PolarHBondContact O-N 3.06Å; F582-R585 HydrophobicContact CB-CB 4.35Å; F582-R585 PolarHBondContact O-N 3.06Å; F582-I667 HydrophobicContact CB-CG1 4.28Å; F582-I667 HydrophobicContact CD2-CG1 4.06Å; F582-I667 HydrophobicContact CG-CG1 4.13Å; F582-M719 HydrophobicContact CE2-CE 4.01Å; F582-M719 HydrophobicContact CZ-CE 3.72Å; F582-L721 HydrophobicContact CE2-CD1 3.78Å
583	P	96.8	Very high	95.9	Very high	14 Å²	14	23 Å²	23	9%	0.091	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.2	-167.5	26.1	-34.7	0	0	0	113.5	P463 Y466 P473 W579 R585	P463-P583 HydrophobicContact CB-CB 4.46Å; P463-P583 WeakPolarHBondContact CB-O 3.33Å; Y466-P583 HydrophobicContact CD2-CB 3.81Å; Y466-P583 HydrophobicContact CD2-CG 3.61Å; Y466-P583 HydrophobicContact CE2-CB 3.9Å; Y466-P583 HydrophobicContact CE2-CG 4.24Å; P473-P583 HydrophobicContact CG-CB 4.37Å; W579-P583 HydrophobicContact CH2-CB 4.17Å; W579-P583 HydrophobicContact CZ2-CB 4.02Å; W579-P583 PolarHBondContact NE1-O 3.39Å; W579-P583 WeakPolarHBondContact O-CA 3.18Å; P583-R585 VanDerWaalsContact C-N 3.32Å
584	D	96.7	Very high	95.9	Very high	28 Å²	28	22.4 Å²	22.4	15%	0.15	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-9	175.8	63.7	-38	0	0	0	113.4	P463 F582 Y627 T662 L664	P463-D584 HydrophobicContact CB-CB 4.23Å; F582-D584 PolarHBondContact O-N 3.06Å; D584-Y627 PolarHBondContact O-OH 3.08Å; D584-T662 HydrophobicContact CB-CG2 4.32Å; D584-T662 VanDerWaalsContact O-CG2 3.24Å; D584-T662 WeakPolarHBondContact O-CG2 3.35Å; D584-L664 WeakPolarHBondContact OD2-CD1 3.43Å
585	R	97.5	Very high	95.9	Very high	42 Å²	42	24.7 Å²	24.7	16%	0.158	13%	0.132	C	C	.	.	S	Bend	trans	-113.7	157.5	-174.9	-69.2	-176	-100.8	-177.2	-6.4	112.8	F582 P583 L664 P665	F582-R585 HydrophobicContact CB-CB 4.35Å; F582-R585 PolarHBondContact O-N 3.06Å; P583-R585 VanDerWaalsContact C-N 3.32Å; R585-L664 HydrophobicContact CG-CB 4.27Å; R585-L664 HydrophobicContact CG-CD1 4.5Å; R585-P665 WeakPolarHBondContact CD-O 3.42Å
586	I	98.6	Very high	95.8	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.015	15%	0.153	C	C	.	.			trans	-75.3	125.5	167	-55.8	173	0	0	0	107.9	V616 A621 M654 V658 P666 I667	I586-V616 HydrophobicContact CG2-CB 4.05Å; I586-V616 HydrophobicContact CG2-CG1 4.04Å; I586-A621 HydrophobicContact CG2-CB 3.71Å; I586-M654 HydrophobicContact CD1-CG 4.3Å; I586-V658 HydrophobicContact CD1-CB 4Å; I586-V658 HydrophobicContact CD1-CG1 4.42Å; I586-V658 HydrophobicContact CD1-CG2 3.84Å; I586-V658 HydrophobicContact CG1-CB 4.18Å; I586-V658 HydrophobicContact CG1-CG1 4.09Å; I586-V658 HydrophobicContact CG1-CG2 3.96Å; I586-P666 HydrophobicContact CB-CB 4.13Å; I586-P666 CarbonylContact O-C 3.58Å; I586-P666 WeakPolarHBondContact O-CA 3.43Å; I586-P666 WeakPolarHBondContact O-CB 3.45Å; I586-I667 PolarHBondContact O-N 3.21Å
587	V	98.5	Very high	95.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.6	176.2	-178.4	0	0	0	0	109.2	V578 W579 A621 I622 I667 V669	V578-V587 HydrophobicContact CB-CG1 4.03Å; V578-V587 HydrophobicContact CG1-CG1 3.59Å; V578-V587 HydrophobicContact CG1-CG2 4.39Å; W579-V587 HydrophobicContact CB-CB 4.13Å; W579-V587 HydrophobicContact CB-CG2 3.95Å; W579-V587 HydrophobicContact CG-CG2 4.36Å; V587-A621 CarbonylContact O-C 3.6Å; V587-A621 VanDerWaalsContact O-CA 3.3Å; V587-A621 WeakPolarHBondContact O-CA 3.35Å; V587-I622 PolarHBondContact N-O 3.32Å; V587-I622 PolarHBondContact O-N 3.39Å; V587-I667 WeakPolarHBondContact CA-O 3.31Å; V587-I667 HydrophobicContact CG1-CB 4.43Å; V587-I667 HydrophobicContact CG1-CG2 4.41Å; V587-I667 HydrophobicContact CG2-CB 4.02Å; V587-I667 HydrophobicContact CG2-CG1 4.4Å; V587-V669 HydrophobicContact CG1-CG1 3.88Å
588	G	96.3	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-170.3	-177.1	0	0	0	0	0	114.9	V616 A620 I667 V669	G588-V616 VanDerWaalsContact CA-CG1 3.43Å; G588-A620 WeakPolarHBondContact CA-O 3.36Å; G588-I667 PolarHBondContact N-O 3.38Å; G588-I667 VanDerWaalsContact N-O 3.08Å; G588-V669 WeakPolarHBondContact O-CG2 3.32Å; G588-V669 PolarHBondContact O-N 2.71Å
589	Y	92.9	Very high	95.4	Very high	15 Å²	15	37.7 Å²	37.7	6%	0.059	21%	0.205	C	C	.	.	S	Bend	trans	-99.9	-54.3	-165.3	-46.5	-96.7	0	0	0	113.8	L567 E571 A575 A591 A620 V669 Q671	L567-Y589 HydrophobicContact CD1-CD2 4.1Å; L567-Y589 HydrophobicContact CD1-CE2 3.48Å; L567-Y589 VanDerWaalsContact CD1-CE2 3.48Å; L567-Y589 HydrophobicContact CD2-CD1 4.12Å; L567-Y589 HydrophobicContact CD2-CD2 4.09Å; L567-Y589 HydrophobicContact CD2-CE1 3.8Å; L567-Y589 HydrophobicContact CD2-CE2 3.8Å; L567-Y589 HydrophobicContact CD2-CG 4.26Å; L567-Y589 HydrophobicContact CG-CE2 4.31Å; E571-Y589 HydrophobicContact CB-CE1 4.15Å; E571-Y589 PolarHBondContact O-OH 3.47Å; A575-Y589 HydrophobicContact CB-CE2 4.42Å; A575-Y589 WeakPolarHBondContact CB-OH 3.41Å; Y589-A591 PolarHBondContact O-N 2.78Å; Y589-A620 HydrophobicContact CD2-CB 3.79Å; Y589-A620 VanDerWaalsContact CD2-O 3.29Å; Y589-A620 WeakPolarHBondContact CD2-O 3.48Å; Y589-A620 PolarHBondContact N-O 2.97Å; Y589-A620 VanDerWaalsContact N-O 3.15Å; Y589-V669 HydrophobicContact CD1-CG2 3.71Å; Y589-V669 HydrophobicContact CD2-CG2 4.49Å; Y589-V669 HydrophobicContact CE1-CG2 3.72Å; Y589-V669 HydrophobicContact CE2-CG2 4.48Å; Y589-V669 HydrophobicContact CG-CG2 4.12Å; Y589-Q671 HydrophobicContact CD1-CB 4.09Å
590	P	92.1	Very high	95.1	Very high	23 Å²	23	43.3 Å²	43.3	15%	0.149	23%	0.23	C	C	.	.			trans	-79.7	99.3	-172.4	-9.6	29	0	0	0	109.6	V616 L617 A620	P590-V616 WeakPolarHBondContact O-CA 2.97Å; P590-L617 HydrophobicContact CB-CB 4.16Å; P590-L617 HydrophobicContact CB-CD1 4.3Å; P590-L617 HydrophobicContact CB-CG 4.2Å; P590-L617 HydrophobicContact CG-CB 4.48Å; P590-L617 PolarHBondContact O-N 3.49Å; P590-A620 HydrophobicContact CG-CB 4.12Å
591	A	92.3	Very high	95	Very high	15 Å²	15	48 Å²	48	12%	0.124	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	141.2	177.1	0	0	0	0	0	111.7	Y589 Y613 M615 K668	Y589-A591 PolarHBondContact O-N 2.78Å; A591-Y613 HydrophobicContact CB-CD2 4.21Å; A591-Y613 HydrophobicContact CB-CG 4.01Å; A591-M615 WeakPolarHBondContact CA-O 3.39Å; A591-K668 HydrophobicContact CB-CD 3.72Å; A591-K668 HydrophobicContact CB-CG 4.14Å
592	R	94.3	Very high	94.9	Very high	19 Å²	19	49 Å²	49	7%	0.072	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	165.6	175.6	-62.8	-67.2	-177.3	-90.5	-2	109.7	Y605 Y613 S614 M615 L617	R592-Y605 HydrophobicContact CB-CE2 3.9Å; R592-Y605 VanDerWaalsContact CD-OH 3.27Å; R592-Y605 WeakPolarHBondContact CD-OH 3.32Å; R592-Y605 HydrophobicContact CG-CE2 4.11Å; R592-Y605 VanDerWaalsContact CG-OH 3.31Å; R592-Y605 WeakPolarHBondContact CG-OH 3.07Å; R592-Y605 PolarHBondContact NE-OH 3.14Å; R592-Y613 WeakPolarHBondContact O-CB 3.4Å; R592-S614 PolarHBondContact O-N 2.77Å; R592-M615 HydrophobicContact CB-CB 4.31Å; R592-M615 HydrophobicContact CB-CE 4.24Å; R592-M615 PolarHBondContact N-O 3.41Å; R592-M615 PolarHBondContact O-N 3.48Å; R592-L617 HydrophobicContact CB-CD2 4.23Å; R592-L617 HydrophobicContact CG-CD1 3.9Å; R592-L617 HydrophobicContact CG-CD2 3.7Å; R592-L617 HydrophobicContact CG-CG 3.86Å
593	S	95	Very high	94.8	Very high	7 Å²	7	50.1 Å²	50.1	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	163.4	-179.9	-156.7	0	0	0	0	112.2	T606 M615 H716	S593-T606 PolarHBondContact N-O 3.14Å; S593-T606 PolarHBondContact O-N 3.37Å; S593-M615 WeakPolarHBondContact O-CE 3.29Å; S593-H716 PolarHBondContact OG-CE1 3.43Å; S593-H716 VanDerWaalsContact OG-CE1 3.26Å
594	H	95	Very high	94.6	Very high	11 Å²	11	49.5 Å²	49.5	5%	0.051	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	161.9	165.8	71.8	-65.4	0	0	0	109.9	W603 G604 S614 M615 M702 M712 L714 H716	H594-W603 AromaticContact CD2-CE3 3.72Å; H594-W603 AromaticContact CD2-CZ3 3.78Å; H594-G604 CarbonylContact C-O 3.48Å; H594-G604 WeakPolarHBondContact CA-O 3.41Å; H594-S614 PolarHBondContact N-OG 2.87Å; H594-S614 WeakPolarHBondContact ND1-CB 3.33Å; H594-S614 PolarHBondContact ND1-OG 2.86Å; H594-M615 HydrophobicContact CB-CE 4.47Å; H594-M702 HydrophobicContact CB-CE 3.75Å; H594-M702 HydrophobicContact CB-SD 3.55Å; H594-M702 VanDerWaalsContact CB-SD 3.55Å; H594-M712 VanDerWaalsContact NE2-CG 3.33Å; H594-M712 WeakPolarHBondContact NE2-CG 3.47Å; H594-L714 HydrophobicContact CB-CD1 4.15Å; H594-L714 VanDerWaalsContact CE1-CB 3.47Å; H594-L714 WeakPolarHBondContact CE1-CB 3.31Å; H594-H716 AromaticContact CE1-CD2 3.46Å; H594-H716 PolarHBondContact CE1-CD2 2.86Å; H594-H716 VanDerWaalsContact CE1-CD2 3.46Å; H594-H716 AromaticContact CE1-CE1 3.95Å; H594-H716 AromaticContact CE1-NE2 3.09Å; H594-H716 PolarHBondContact CE1-NE2 3.49Å; H594-H716 AromaticContact ND1-CE1 3.98Å; H594-H716 AromaticContact ND1-NE2 3.51Å; H594-H716 AromaticContact NE2-NE2 3.6Å; H594-H716 PolarHBondContact O-CE1 3.17Å
595	F	94.5	Very high	94.4	Very high	89 Å²	89	48.8 Å²	48.8	39%	0.39	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	158.4	172.5	63.5	-84.2	0	0	0	109.9	D597 W603 G604 T606	F595-D597 HydrophobicContact CD2-CB 4.48Å; F595-D597 HydrophobicContact CE2-CB 4.01Å; F595-W603 CarbonylContact O-C 3.57Å; F595-G604 WeakPolarHBondContact CD1-O 3.46Å; F595-G604 PolarHBondContact N-O 2.9Å; F595-G604 WeakPolarHBondContact O-CA 3.31Å; F595-G604 PolarHBondContact O-N 3.25Å; F595-T606 HydrophobicContact CD1-CG2 4.12Å
596	W	94.6	Very high	94	Very high	116 Å²	116	48 Å²	48	44%	0.439	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	123.1	169.5	-178.2	-107.6	0	0	0	109.7	S598 E601 W603	W596-S598 PolarHBondContact O-N 3.3Å; W596-E601 HydrophobicContact CH2-CB 4.45Å; W596-E601 WeakPolarHBondContact CH2-O 3.4Å; W596-E601 VanDerWaalsContact CZ2-C 3.43Å; W596-E601 HydrophobicContact CZ2-CB 4.07Å; W596-W603 HydrophobicContact CB-CE3 4.11Å; W596-W603 HydrophobicContact CB-CH2 4.27Å; W596-W603 HydrophobicContact CB-CZ3 3.75Å; W596-W603 AromaticContact CE3-CD2 3.52Å; W596-W603 HydrophobicContact CE3-CD2 3.52Å; W596-W603 AromaticContact CE3-CE2 3.51Å; W596-W603 AromaticContact CE3-CE3 3.83Å; W596-W603 HydrophobicContact CE3-CE3 3.83Å; W596-W603 AromaticContact CE3-CG 3.96Å; W596-W603 HydrophobicContact CE3-CG 3.96Å; W596-W603 HydrophobicContact CE3-CH2 4.13Å; W596-W603 AromaticContact CE3-CZ2 3.83Å; W596-W603 HydrophobicContact CE3-CZ2 3.83Å; W596-W603 HydrophobicContact CE3-CZ3 4.14Å; W596-W603 AromaticContact CE3-NE1 3.91Å; W596-W603 AromaticContact CZ3-CD1 3.85Å; W596-W603 HydrophobicContact CZ3-CD2 4Å; W596-W603 AromaticContact CZ3-CE2 3.74Å; W596-W603 HydrophobicContact CZ3-CG 4.08Å; W596-W603 HydrophobicContact CZ3-CZ2 4.26Å; W596-W603 AromaticContact CZ3-NE1 3.64Å
597	D	92.8	Very high	93.4	Very high	29 Å²	29	49.7 Å²	49.7	16%	0.155	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	95.9	171.8	-173.7	-16.1	0	0	0	108.9	F595 S599 K600 E601 R602	F595-D597 HydrophobicContact CD2-CB 4.48Å; F595-D597 HydrophobicContact CE2-CB 4.01Å; D597-S599 PolarHBondContact O-N 3.45Å; D597-S599 WeakPolarHBondContact OD1-CB 3.42Å; D597-S599 PolarHBondContact OD1-N 2.97Å; D597-S599 PolarHBondContact OD1-OG 3.41Å; D597-K600 HydrophobicContact CB-CB 4.45Å; D597-K600 PolarHBondContact O-N 3.31Å; D597-K600 VanDerWaalsContact O-N 3.16Å; D597-K600 PolarHBondContact OD1-N 3.04Å; D597-K600 WeakPolarHBondContact OD2-CD 3.33Å; D597-K600 IonicContact OD2-NZ 3.26Å; D597-E601 WeakPolarHBondContact O-CA 3.32Å; D597-E601 PolarHBondContact O-N 2.9Å; D597-R602 WeakPolarHBondContact CB-O 3.39Å; D597-R602 PolarHBondContact N-O 3.09Å; D597-R602 PolarHBondContact O-N 3.41Å
598	S	94.1	Very high	92.7	Very high	95 Å²	95	57.2 Å²	57.2	66%	0.664	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.3	180	-59.5	0	0	0	0	113.7	W596	W596-S598 PolarHBondContact O-N 3.3Å
599	S	95.1	Very high	91.6	Very high	102 Å²	102	66.1 Å²	66.1	71%	0.713	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-25.7	179.3	72.8	0	0	0	0	112.9	D597	D597-S599 PolarHBondContact O-N 3.45Å; D597-S599 WeakPolarHBondContact OD1-CB 3.42Å; D597-S599 PolarHBondContact OD1-N 2.97Å; D597-S599 PolarHBondContact OD1-OG 3.41Å
600	K	92	Very high	91	Very high	119 Å²	119	68.4 Å²	68.4	52%	0.517	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	1.9	-177.4	-63.7	179.1	-167.9	159.7	0	113	D597 R602	D597-K600 HydrophobicContact CB-CB 4.45Å; D597-K600 PolarHBondContact O-N 3.31Å; D597-K600 VanDerWaalsContact O-N 3.16Å; D597-K600 PolarHBondContact OD1-N 3.04Å; D597-K600 WeakPolarHBondContact OD2-CD 3.33Å; D597-K600 IonicContact OD2-NZ 3.26Å; K600-R602 HydrophobicContact CB-CG 3.75Å; K600-R602 PolarHBondContact O-N 3.32Å
601	E	93.7	Very high	90.6	Very high	158 Å²	158	73.3 Å²	73.3	74%	0.738	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	45.5	-176.1	-60.1	-175	158.5	0	0	113	W596 D597	W596-E601 HydrophobicContact CH2-CB 4.45Å; W596-E601 WeakPolarHBondContact CH2-O 3.4Å; W596-E601 VanDerWaalsContact CZ2-C 3.43Å; W596-E601 HydrophobicContact CZ2-CB 4.07Å; D597-E601 WeakPolarHBondContact O-CA 3.32Å; D597-E601 PolarHBondContact O-N 2.9Å
602	R	93.8	Very high	90.6	Very high	102 Å²	102	75 Å²	75	39%	0.385	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.9	-175.7	73.6	-173.5	-166.5	174.5	4.9	112.9	D597 K600 G604 N703	D597-R602 WeakPolarHBondContact CB-O 3.39Å; D597-R602 PolarHBondContact N-O 3.09Å; D597-R602 PolarHBondContact O-N 3.41Å; K600-R602 HydrophobicContact CB-CG 3.75Å; K600-R602 PolarHBondContact O-N 3.32Å; R602-G604 PolarHBondContact O-N 2.89Å; R602-N703 WeakPolarHBondContact CB-OD1 3.41Å
603	W	94.4	Very high	90.6	Very high	66 Å²	66	74.3 Å²	74.3	25%	0.25	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.7	177.8	-67.6	107.8	0	0	0	112	H594 F595 W596 Q699 M702 N703 M712	H594-W603 AromaticContact CD2-CE3 3.72Å; H594-W603 AromaticContact CD2-CZ3 3.78Å; F595-W603 CarbonylContact O-C 3.57Å; W596-W603 HydrophobicContact CB-CE3 4.11Å; W596-W603 HydrophobicContact CB-CH2 4.27Å; W596-W603 HydrophobicContact CB-CZ3 3.75Å; W596-W603 AromaticContact CE3-CD2 3.52Å; W596-W603 HydrophobicContact CE3-CD2 3.52Å; W596-W603 AromaticContact CE3-CE2 3.51Å; W596-W603 AromaticContact CE3-CE3 3.83Å; W596-W603 HydrophobicContact CE3-CE3 3.83Å; W596-W603 AromaticContact CE3-CG 3.96Å; W596-W603 HydrophobicContact CE3-CG 3.96Å; W596-W603 HydrophobicContact CE3-CH2 4.13Å; W596-W603 AromaticContact CE3-CZ2 3.83Å; W596-W603 HydrophobicContact CE3-CZ2 3.83Å; W596-W603 HydrophobicContact CE3-CZ3 4.14Å; W596-W603 AromaticContact CE3-NE1 3.91Å; W596-W603 AromaticContact CZ3-CD1 3.85Å; W596-W603 HydrophobicContact CZ3-CD2 4Å; W596-W603 AromaticContact CZ3-CE2 3.74Å; W596-W603 HydrophobicContact CZ3-CG 4.08Å; W596-W603 HydrophobicContact CZ3-CZ2 4.26Å; W596-W603 AromaticContact CZ3-NE1 3.64Å; W603-Q699 VanDerWaalsContact O-CD 3.3Å; W603-Q699 PolarHBondContact O-NE2 3.5Å; W603-M702 HydrophobicContact CB-CG 3.94Å; W603-M702 HydrophobicContact CB-SD 3.99Å; W603-N703 PolarHBondContact N-OD1 3.11Å; W603-N703 PolarHBondContact O-ND2 2.92Å; W603-M712 HydrophobicContact CB-CE 3.7Å; W603-M712 HydrophobicContact CD2-CB 4.41Å; W603-M712 HydrophobicContact CD2-CE 3.32Å; W603-M712 HydrophobicContact CD2-CG 4.38Å; W603-M712 HydrophobicContact CE3-CE 3.84Å; W603-M712 HydrophobicContact CE3-CG 4.4Å; W603-M712 HydrophobicContact CG-CE 3.23Å; W603-M712 HydrophobicContact CH2-CB 4.02Å; W603-M712 HydrophobicContact CH2-CG 4.23Å; W603-M712 HydrophobicContact CZ2-CB 3.61Å; W603-M712 HydrophobicContact CZ2-CG 4.21Å; W603-M712 HydrophobicContact CZ3-CG 4.32Å
604	G	92.3	Very high	90.7	Very high	0 Å²	0	74 Å²	74	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	136.1	178	0	0	0	0	0	114.7	H594 F595 R602	H594-G604 CarbonylContact C-O 3.48Å; H594-G604 WeakPolarHBondContact CA-O 3.41Å; F595-G604 WeakPolarHBondContact CD1-O 3.46Å; F595-G604 PolarHBondContact N-O 2.9Å; F595-G604 WeakPolarHBondContact O-CA 3.31Å; F595-G604 PolarHBondContact O-N 3.25Å; R602-G604 PolarHBondContact O-N 2.89Å
605	Y	93.1	Very high	90.9	Very high	14 Å²	14	73.4 Å²	73.4	6%	0.055	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.7	164.7	174.1	-96.5	0	0	0	110.7	R592 M615 I652 F695 R698 M702	R592-Y605 HydrophobicContact CB-CE2 3.9Å; R592-Y605 VanDerWaalsContact CD-OH 3.27Å; R592-Y605 WeakPolarHBondContact CD-OH 3.32Å; R592-Y605 HydrophobicContact CG-CE2 4.11Å; R592-Y605 VanDerWaalsContact CG-OH 3.31Å; R592-Y605 WeakPolarHBondContact CG-OH 3.07Å; R592-Y605 PolarHBondContact NE-OH 3.14Å; Y605-M615 HydrophobicContact CD2-CE 3.9Å; Y605-M615 HydrophobicContact CE2-CE 4.07Å; Y605-I652 HydrophobicContact CD2-CD1 4.07Å; Y605-I652 HydrophobicContact CE2-CD1 4.21Å; Y605-F695 AromaticContact CD1-CD1 3.88Å; Y605-F695 HydrophobicContact CD1-CD1 3.88Å; Y605-F695 HydrophobicContact CD1-CE1 4.07Å; Y605-F695 AromaticContact CE1-CD1 3.89Å; Y605-F695 HydrophobicContact CE1-CD1 3.89Å; Y605-F695 AromaticContact CE1-CE1 3.68Å; Y605-F695 HydrophobicContact CE1-CE1 3.68Å; Y605-R698 HydrophobicContact CD1-CB 4.12Å; Y605-R698 HydrophobicContact CE1-CB 4.46Å; Y605-R698 HydrophobicContact CG-CB 4.15Å; Y605-R698 PolarHBondContact OH-NH1 3.42Å; Y605-M702 HydrophobicContact CD2-CE 3.85Å; Y605-M702 HydrophobicContact CG-CE 4.33Å
606	T	89.1	Confident	91	Very high	24 Å²	24	69.2 Å²	69.2	15%	0.147	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.2	175.2	-168.4	0	0	0	0	113.8	S593 F595 K608	S593-T606 PolarHBondContact N-O 3.14Å; S593-T606 PolarHBondContact O-N 3.37Å; F595-T606 HydrophobicContact CD1-CG2 4.12Å; T606-K608 WeakPolarHBondContact OG1-CB 3.42Å; T606-K608 WeakPolarHBondContact OG1-CG 3.49Å; T606-K608 PolarHBondContact OG1-N 2.67Å
607	S	85.8	Confident	91	Very high	40 Å²	40	63.9 Å²	63.9	28%	0.28	32%	0.318	S	S	.	.			trans	-97.8	6.7	170	59.2	0	0	0	0	113.2	W609 F695	S607-W609 PolarHBondContact O-N 3.13Å; S607-F695 VanDerWaalsContact OG-CE1 3.29Å; S607-F695 WeakPolarHBondContact OG-CE1 3.45Å; S607-F695 WeakPolarHBondContact OG-CZ 3.44Å
608	K	83.2	Confident	91.2	Very high	157 Å²	157	62.5 Å²	62.5	68%	0.683	31%	0.31	S	S	*	.			trans	-58.2	132.3	178.2	-74.4	180	179.9	-179	0	109.8	T606 T610	T606-K608 WeakPolarHBondContact OG1-CB 3.42Å; T606-K608 WeakPolarHBondContact OG1-CG 3.49Å; T606-K608 PolarHBondContact OG1-N 2.67Å; K608-T610 VanDerWaalsContact C-N 3.29Å; K608-T610 HydrophobicContact CB-CG2 3.92Å; K608-T610 PolarHBondContact O-N 3.03Å
609	W	74	Confident	91.3	Very high	188 Å²	188	58.2 Å²	58.2	71%	0.712	28%	0.281	S	S	*	.			trans	-75.8	83	176.7	-66.5	84.5	0	0	0	109.5	S607 Y675	S607-W609 PolarHBondContact O-N 3.13Å; W609-Y675 HydrophobicContact CH2-CD1 4.19Å; W609-Y675 HydrophobicContact CZ2-CD1 4.13Å; W609-Y675 HydrophobicContact CZ2-CE1 4.39Å
610	T	81	Confident	91.3	Very high	63 Å²	63	53.5 Å²	53.5	39%	0.387	25%	0.248	S	C	.	.			trans	-110.1	165.1	173.7	91.2	0	0	0	0	110.5	K608 D612	K608-T610 VanDerWaalsContact C-N 3.29Å; K608-T610 HydrophobicContact CB-CG2 3.92Å; K608-T610 PolarHBondContact O-N 3.03Å; T610-D612 PolarHBondContact OG1-N 2.96Å; T610-D612 VanDerWaalsContact OG1-N 3.1Å; T610-D612 PolarHBondContact OG1-O 2.89Å
611	N	82.8	Confident	91.6	Very high	126 Å²	126	47.9 Å²	47.9	67%	0.674	22%	0.224	S	C	*	.	S	Bend	trans	-73.8	-17.2	172.1	-70.5	-25.5	0	0	0	111.9	Q718	N611-Q718 WeakPolarHBondContact O-CA 3.33Å
612	D	92.1	Very high	91.8	Very high	51 Å²	51	40.4 Å²	40.4	27%	0.273	19%	0.189	S	C	.	.			trans	-92.1	130.3	175.7	-176.8	44.2	0	0	0	110.9	T610 H716 Q718	T610-D612 PolarHBondContact OG1-N 2.96Å; T610-D612 VanDerWaalsContact OG1-N 3.1Å; T610-D612 PolarHBondContact OG1-O 2.89Å; D612-H716 VanDerWaalsContact CG-ND1 3.29Å; D612-H716 WeakPolarHBondContact OD1-CB 3.49Å; D612-H716 IonicContact OD1-CG 3.41Å; D612-H716 IonicContact OD1-ND1 3.71Å; D612-H716 PolarHBondContact OD1-ND1 2.79Å; D612-H716 VanDerWaalsContact OD1-ND1 3.14Å; D612-H716 IonicContact OD2-CE1 3.12Å; D612-H716 PolarHBondContact OD2-CE1 3.13Å; D612-H716 VanDerWaalsContact OD2-CE1 3.32Å; D612-H716 IonicContact OD2-CG 2.7Å; D612-H716 IonicContact OD2-ND1 3.02Å; D612-H716 PolarHBondContact OD2-ND1 3.36Å; D612-Q718 HydrophobicContact CB-CG 4.39Å
613	Y	95	Very high	92.1	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.012	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-149.1	155.4	-178.3	70.8	-82.7	0	0	0	110.4	A591 R592 V616 P666 K668 H716 S717 M719	A591-Y613 HydrophobicContact CB-CD2 4.21Å; A591-Y613 HydrophobicContact CB-CG 4.01Å; R592-Y613 WeakPolarHBondContact O-CB 3.4Å; Y613-V616 HydrophobicContact CD2-CG2 4.39Å; Y613-V616 HydrophobicContact CE2-CG2 4.23Å; Y613-P666 HydrophobicContact CD2-CG 4.31Å; Y613-P666 HydrophobicContact CE2-CG 4.02Å; Y613-P666 WeakPolarHBondContact CE2-O 3.29Å; Y613-P666 PolarHBondContact OH-O 3.4Å; Y613-K668 HydrophobicContact CD1-CB 4.45Å; Y613-K668 HydrophobicContact CD1-CD 4.27Å; Y613-K668 HydrophobicContact CE1-CB 3.86Å; Y613-K668 HydrophobicContact CE1-CD 4.33Å; Y613-K668 HydrophobicContact CE2-CB 4.07Å; Y613-K668 PolarHBondContact OH-N 3.23Å; Y613-H716 CarbonylContact O-C 3.51Å; Y613-H716 WeakPolarHBondContact O-CA 3.3Å; Y613-S717 WeakPolarHBondContact CD1-O 3.18Å; Y613-S717 VanDerWaalsContact CE1-O 3.26Å; Y613-S717 WeakPolarHBondContact CE1-O 3.37Å; Y613-S717 PolarHBondContact N-O 3.21Å; Y613-S717 PolarHBondContact O-N 2.98Å; Y613-S717 WeakPolarHBondContact OH-CB 3.48Å; Y613-S717 PolarHBondContact OH-OG 3.48Å; Y613-M719 VanDerWaalsContact CE1-O 3.24Å; Y613-M719 WeakPolarHBondContact CE1-O 3.37Å; Y613-M719 PolarHBondContact OH-O 3.28Å
614	S	97	Very high	92.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-131.3	-3.6	179.4	71.7	0	0	0	0	113	R592 H594 V715	R592-S614 PolarHBondContact O-N 2.77Å; H594-S614 PolarHBondContact N-OG 2.87Å; H594-S614 WeakPolarHBondContact ND1-CB 3.33Å; H594-S614 PolarHBondContact ND1-OG 2.86Å; S614-V715 WeakPolarHBondContact CA-O 3.22Å
615	M	97.8	Very high	92.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.9	-177.5	-68.2	174.6	-76.2	0	0	110.3	A591 R592 S593 H594 Y605 I652 N655 M702 L714	A591-M615 WeakPolarHBondContact CA-O 3.39Å; R592-M615 HydrophobicContact CB-CB 4.31Å; R592-M615 HydrophobicContact CB-CE 4.24Å; R592-M615 PolarHBondContact N-O 3.41Å; R592-M615 PolarHBondContact O-N 3.48Å; S593-M615 WeakPolarHBondContact O-CE 3.29Å; H594-M615 HydrophobicContact CB-CE 4.47Å; Y605-M615 HydrophobicContact CD2-CE 3.9Å; Y605-M615 HydrophobicContact CE2-CE 4.07Å; M615-I652 HydrophobicContact SD-CG1 4.18Å; M615-I652 HydrophobicContact SD-CG2 4.19Å; M615-N655 VanDerWaalsContact CA-OD1 3.28Å; M615-N655 WeakPolarHBondContact CA-OD1 3.32Å; M615-N655 HydrophobicContact CB-CB 4.31Å; M615-N655 HydrophobicContact CG-CB 3.81Å; M615-M702 HydrophobicContact CE-CE 3.7Å; M615-M702 HydrophobicContact SD-CE 4.33Å; M615-L714 HydrophobicContact CE-CD1 4.04Å; M615-L714 HydrophobicContact CG-CD1 3.74Å; M615-L714 HydrophobicContact CG-CD2 3.88Å; M615-L714 HydrophobicContact CG-CG 4.45Å; M615-L714 HydrophobicContact SD-CD1 3.66Å
616	V	97	Very high	92.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.5	166.4	169.3	0	0	0	0	107.6	I586 G588 P590 Y613 A621 N655 P666	I586-V616 HydrophobicContact CG2-CB 4.05Å; I586-V616 HydrophobicContact CG2-CG1 4.04Å; G588-V616 VanDerWaalsContact CA-CG1 3.43Å; P590-V616 WeakPolarHBondContact O-CA 2.97Å; Y613-V616 HydrophobicContact CD2-CG2 4.39Å; Y613-V616 HydrophobicContact CE2-CG2 4.23Å; V616-A621 HydrophobicContact CG1-CB 4Å; V616-N655 PolarHBondContact N-OD1 3.49Å; V616-N655 PolarHBondContact O-ND2 3.49Å; V616-N655 PolarHBondContact O-OD1 3.46Å; V616-P666 HydrophobicContact CB-CB 4.04Å; V616-P666 HydrophobicContact CB-CG 4.41Å; V616-P666 HydrophobicContact CG2-CB 3.76Å; V616-P666 HydrophobicContact CG2-CG 4.01Å
617	L	95.9	Very high	93.2	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	16%	0.159	C	C	.	.			trans	-71.6	135.5	-173	-52.7	-170	0	0	0	111.3	P590 R592 G619 A620 D651 W689	P590-L617 HydrophobicContact CB-CB 4.16Å; P590-L617 HydrophobicContact CB-CD1 4.3Å; P590-L617 HydrophobicContact CB-CG 4.2Å; P590-L617 HydrophobicContact CG-CB 4.48Å; P590-L617 PolarHBondContact O-N 3.49Å; R592-L617 HydrophobicContact CB-CD2 4.23Å; R592-L617 HydrophobicContact CG-CD1 3.9Å; R592-L617 HydrophobicContact CG-CD2 3.7Å; R592-L617 HydrophobicContact CG-CG 3.86Å; L617-G619 PolarHBondContact O-N 2.86Å; L617-G619 VanDerWaalsContact O-N 3.15Å; L617-A620 PolarHBondContact O-N 2.67Å; L617-D651 HydrophobicContact CB-CB 4.46Å; L617-D651 HydrophobicContact CD2-CB 4.36Å; L617-D651 VanDerWaalsContact CD2-OD2 3.3Å; L617-D651 WeakPolarHBondContact CD2-OD2 3.35Å; L617-W689 HydrophobicContact CD1-CH2 3.65Å; L617-W689 HydrophobicContact CD1-CZ3 3.85Å
618	T	96.6	Very high	93.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-5.7	-175.8	48.1	0	0	0	0	114.2	R546 F547 S560 A620 Y623 D651 M654	R546-T618 PolarHBondContact NH2-O 3.02Å; F547-T618 HydrophobicContact CE1-CG2 4.25Å; F547-T618 HydrophobicContact CZ-CG2 4.04Å; S560-T618 CarbonylContact C-O 3.6Å; S560-T618 WeakPolarHBondContact CB-O 3.43Å; S560-T618 VanDerWaalsContact O-O 3.09Å; S560-T618 PolarHBondContact OG-O 3.11Å; T618-A620 PolarHBondContact O-N 2.85Å; T618-Y623 HydrophobicContact CG2-CD1 4.46Å; T618-Y623 HydrophobicContact CG2-CE1 4.03Å; T618-D651 WeakPolarHBondContact OG1-CA 3.14Å; T618-D651 VanDerWaalsContact OG1-CB 3.24Å; T618-D651 WeakPolarHBondContact OG1-CB 3.4Å; T618-M654 HydrophobicContact CG2-CB 3.97Å; T618-M654 HydrophobicContact CG2-CG 3.83Å
619	G	94.8	Very high	94.4	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.1	171.7	0	0	0	0	0	114.2	S560 L561 D562 T565 L617	S560-G619 CarbonylContact O-C 3.35Å; L561-G619 CarbonylContact C-O 3.41Å; L561-G619 WeakPolarHBondContact CA-O 3.24Å; D562-G619 PolarHBondContact N-O 2.81Å; D562-G619 VanDerWaalsContact OD1-CA 3.22Å; D562-G619 WeakPolarHBondContact OD1-CA 3.26Å; D562-G619 VanDerWaalsContact OD2-CA 3.28Å; D562-G619 WeakPolarHBondContact OD2-CA 3.49Å; T565-G619 PolarHBondContact OG1-O 3.41Å; L617-G619 PolarHBondContact O-N 2.86Å; L617-G619 VanDerWaalsContact O-N 3.15Å
620	A	96.3	Very high	95.5	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.033	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	75.8	166.6	0	0	0	0	0	109.6	S560 L561 T565 L567 G588 Y589 P590 L617 T618	S560-A620 WeakPolarHBondContact O-CA 3.48Å; L561-A620 HydrophobicContact CD2-CB 4.39Å; T565-A620 HydrophobicContact CG2-CB 4Å; L567-A620 HydrophobicContact CD1-CB 4.5Å; G588-A620 WeakPolarHBondContact CA-O 3.36Å; Y589-A620 HydrophobicContact CD2-CB 3.79Å; Y589-A620 VanDerWaalsContact CD2-O 3.29Å; Y589-A620 WeakPolarHBondContact CD2-O 3.48Å; Y589-A620 PolarHBondContact N-O 2.97Å; Y589-A620 VanDerWaalsContact N-O 3.15Å; P590-A620 HydrophobicContact CG-CB 4.12Å; L617-A620 PolarHBondContact O-N 2.67Å; T618-A620 PolarHBondContact O-N 2.85Å
621	A	98.1	Very high	96.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154.3	-178	0	0	0	0	0	113.4	S560 I586 V587 V616	S560-A621 PolarHBondContact N-O 3.1Å; S560-A621 PolarHBondContact O-N 3.45Å; S560-A621 VanDerWaalsContact O-N 3.1Å; I586-A621 HydrophobicContact CG2-CB 3.71Å; V587-A621 CarbonylContact O-C 3.6Å; V587-A621 VanDerWaalsContact O-CA 3.3Å; V587-A621 WeakPolarHBondContact O-CA 3.35Å; V616-A621 HydrophobicContact CG1-CB 4Å
622	I	98.6	Very high	96.9	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.3	172.1	-53.7	177.5	0	0	0	108.8	A557 V558 L559 A575 F576 W579 V587	A557-I622 HydrophobicContact CB-CG2 4.09Å; V558-I622 VanDerWaalsContact O-CA 3.28Å; V558-I622 WeakPolarHBondContact O-CA 3.35Å; L559-I622 HydrophobicContact CB-CG1 4.05Å; L559-I622 HydrophobicContact CD1-CD1 4.17Å; L559-I622 HydrophobicContact CD1-CG1 3.48Å; L559-I622 VanDerWaalsContact CD1-CG1 3.48Å; L559-I622 HydrophobicContact CG-CG1 4.3Å; A575-I622 HydrophobicContact CB-CD1 3.95Å; F576-I622 HydrophobicContact CB-CD1 3.88Å; F576-I622 HydrophobicContact CD2-CD1 4.4Å; W579-I622 HydrophobicContact CB-CB 4.15Å; W579-I622 HydrophobicContact CB-CG2 3.85Å; W579-I622 HydrophobicContact CD2-CG2 3.78Å; W579-I622 HydrophobicContact CE3-CG2 4.48Å; W579-I622 HydrophobicContact CG-CB 4.07Å; W579-I622 HydrophobicContact CG-CG2 3.43Å; W579-I622 VanDerWaalsContact CG-CG2 3.43Å; V587-I622 PolarHBondContact N-O 3.32Å; V587-I622 PolarHBondContact O-N 3.39Å
623	Y	98.6	Very high	96.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	168.6	175.4	52.9	-97.1	0	0	0	110.1	F547 V558 S560 T618 H628	F547-Y623 WeakPolarHBondContact CD1-OH 3.42Å; F547-Y623 VanDerWaalsContact CE1-OH 3.3Å; F547-Y623 WeakPolarHBondContact CE1-OH 3.29Å; V558-Y623 HydrophobicContact CB-CE2 4.14Å; V558-Y623 HydrophobicContact CG1-CE2 4.32Å; V558-Y623 PolarHBondContact N-O 3.22Å; V558-Y623 PolarHBondContact O-N 2.95Å; V558-Y623 VanDerWaalsContact O-N 3.12Å; S560-Y623 VanDerWaalsContact CB-CE1 3.48Å; S560-Y623 WeakPolarHBondContact CB-OH 3.35Å; S560-Y623 PolarHBondContact OG-OH 2.55Å; T618-Y623 HydrophobicContact CG2-CD1 4.46Å; T618-Y623 HydrophobicContact CG2-CE1 4.03Å; Y623-H628 AromaticContact CE2-CD2 3.63Å; Y623-H628 AromaticContact CE2-NE2 3.38Å; Y623-H628 WeakPolarHBondContact CE2-NE2 3.1Å; Y623-H628 AromaticContact CZ-NE2 3.72Å; Y623-H628 PolarHBondContact OH-NE2 3.3Å; Y623-H628 VanDerWaalsContact OH-NE2 3.13Å
624	H	98.4	Very high	96.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	138.8	-178.6	-165.8	-90.1	0	0	0	112.6	D461 P463 Y466 D556 W579 Y626 Y627	D461-H624 PolarHBondContact O-CE1 3.11Å; D461-H624 VanDerWaalsContact O-CE1 3.23Å; P463-H624 HydrophobicContact CB-CB 3.99Å; P463-H624 HydrophobicContact CG-CB 3.9Å; Y466-H624 AromaticContact CZ-NE2 3.97Å; Y466-H624 PolarHBondContact OH-NE2 3.43Å; D556-H624 CarbonylContact O-C 3.41Å; D556-H624 VanDerWaalsContact O-CA 3.31Å; D556-H624 WeakPolarHBondContact O-CA 3.37Å; W579-H624 HydrophobicContact CZ2-CB 4.15Å; H624-Y626 WeakPolarHBondContact ND1-CB 3.37Å; H624-Y626 PolarHBondContact ND1-N 3Å; H624-Y626 PolarHBondContact O-N 3.24Å; H624-Y626 VanDerWaalsContact O-N 3.08Å; H624-Y627 HydrophobicContact CB-CD2 4.04Å; H624-Y627 HydrophobicContact CB-CE2 3.94Å; H624-Y627 VanDerWaalsContact O-CD2 3.3Å; H624-Y627 WeakPolarHBondContact O-CD2 3.31Å; H624-Y627 PolarHBondContact O-N 2.82Å; H624-Y627 VanDerWaalsContact O-N 3.07Å
625	K	97.5	Very high	96.7	Very high	48 Å²	48	11.4 Å²	11.4	21%	0.209	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.3	179.6	65.7	169.9	164.3	-159.4	0	113.7	Y455 T555 D556 V558 Y627 H628	Y455-K625 VanDerWaalsContact OH-CE 3.31Å; Y455-K625 WeakPolarHBondContact OH-CE 3.5Å; T555-K625 VanDerWaalsContact O-CD 3.28Å; T555-K625 WeakPolarHBondContact O-CD 3.38Å; D556-K625 PolarHBondContact O-N 3.13Å; D556-K625 VanDerWaalsContact OD1-CE 3.3Å; D556-K625 WeakPolarHBondContact OD1-CE 3.33Å; D556-K625 IonicContact OD1-NZ 2.74Å; D556-K625 PolarHBondContact OD1-NZ 3.36Å; V558-K625 HydrophobicContact CG2-CB 3.97Å; K625-Y627 PolarHBondContact O-N 3.42Å; K625-Y627 VanDerWaalsContact O-N 3.07Å; K625-H628 VanDerWaalsContact O-CB 3.26Å; K625-H628 WeakPolarHBondContact O-CB 3.25Å; K625-H628 PolarHBondContact O-N 3.32Å
626	Y	98	Very high	96.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-55	-29.4	177.9	-176.8	-127.5	0	0	0	112.8	F450 L452 Y455 F462 F464 H624 H628 Y629 L630	F450-Y626 WeakPolarHBondContact O-CE1 3.43Å; F450-Y626 PolarHBondContact O-OH 3.06Å; L452-Y626 PolarHBondContact N-OH 3.5Å; Y455-Y626 AromaticContact CD1-CD2 3.31Å; Y455-Y626 HydrophobicContact CD1-CD2 3.31Å; Y455-Y626 AromaticContact CD1-CE2 3.47Å; Y455-Y626 HydrophobicContact CD1-CE2 3.47Å; Y455-Y626 VanDerWaalsContact CD1-CE2 3.47Å; Y455-Y626 HydrophobicContact CD1-CG 4.35Å; Y455-Y626 AromaticContact CD2-CD2 3.83Å; Y455-Y626 HydrophobicContact CD2-CD2 3.83Å; Y455-Y626 HydrophobicContact CD2-CE2 4.1Å; Y455-Y626 AromaticContact CE1-CD2 3.42Å; Y455-Y626 HydrophobicContact CE1-CD2 3.42Å; Y455-Y626 VanDerWaalsContact CE1-CD2 3.42Å; Y455-Y626 HydrophobicContact CE1-CE2 4.08Å; Y455-Y626 HydrophobicContact CE1-CG 4.14Å; Y455-Y626 AromaticContact CE2-CD2 3.93Å; Y455-Y626 HydrophobicContact CE2-CD2 3.93Å; Y455-Y626 AromaticContact CG-CD2 3.52Å; Y455-Y626 HydrophobicContact CG-CD2 3.52Å; Y455-Y626 AromaticContact CG-CE2 3.47Å; Y455-Y626 HydrophobicContact CG-CE2 3.47Å; Y455-Y626 VanDerWaalsContact CG-CE2 3.47Å; Y455-Y626 AromaticContact CZ-CD2 3.73Å; F462-Y626 AromaticContact CD1-CD1 3.99Å; F462-Y626 HydrophobicContact CD1-CD1 3.99Å; F462-Y626 HydrophobicContact CD1-CD2 4.3Å; F462-Y626 AromaticContact CD1-CE1 3.65Å; F462-Y626 HydrophobicContact CD1-CE1 3.65Å; F462-Y626 HydrophobicContact CD1-CE2 4.03Å; F462-Y626 HydrophobicContact CD1-CG 4.3Å; F462-Y626 AromaticContact CD1-CZ 3.69Å; F462-Y626 HydrophobicContact CE1-CD2 4.28Å; F462-Y626 AromaticContact CE1-CE1 3.94Å; F462-Y626 HydrophobicContact CE1-CE1 3.94Å; F462-Y626 AromaticContact CE1-CE2 3.65Å; F462-Y626 HydrophobicContact CE1-CE2 3.65Å; F462-Y626 AromaticContact CE1-CZ 3.45Å; F462-Y626 VanDerWaalsContact CE1-CZ 3.45Å; F464-Y626 HydrophobicContact CE1-CD1 4.27Å; F464-Y626 HydrophobicContact CE1-CE1 4.13Å; F464-Y626 HydrophobicContact CZ-CE1 4.32Å; H624-Y626 WeakPolarHBondContact ND1-CB 3.37Å; H624-Y626 PolarHBondContact ND1-N 3Å; H624-Y626 PolarHBondContact O-N 3.24Å; H624-Y626 VanDerWaalsContact O-N 3.08Å; Y626-H628 VanDerWaalsContact C-N 3.28Å; Y626-H628 PolarHBondContact O-N 2.71Å; Y626-Y629 HydrophobicContact CE2-CD1 4Å; Y626-Y629 WeakPolarHBondContact O-CB 3.42Å; Y626-Y629 PolarHBondContact O-N 3.15Å; Y626-Y629 VanDerWaalsContact O-N 3.13Å; Y626-L630 HydrophobicContact CD1-CD1 3.95Å; Y626-L630 HydrophobicContact CD1-CG 4.25Å; Y626-L630 HydrophobicContact CE1-CD1 3.53Å; Y626-L630 HydrophobicContact CE1-CD2 4.16Å; Y626-L630 HydrophobicContact CE1-CG 3.76Å; Y626-L630 HydrophobicContact CE2-CG 4.27Å; Y626-L630 PolarHBondContact O-N 3.15Å
627	Y	98.4	Very high	96.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.5	-22.8	177.4	-61.9	-56.6	0	0	0	113.6	D584 H624 K625 L630 Y631 V658 V661 T662	D584-Y627 PolarHBondContact O-OH 3.08Å; H624-Y627 HydrophobicContact CB-CD2 4.04Å; H624-Y627 HydrophobicContact CB-CE2 3.94Å; H624-Y627 VanDerWaalsContact O-CD2 3.3Å; H624-Y627 WeakPolarHBondContact O-CD2 3.31Å; H624-Y627 PolarHBondContact O-N 2.82Å; H624-Y627 VanDerWaalsContact O-N 3.07Å; K625-Y627 PolarHBondContact O-N 3.42Å; K625-Y627 VanDerWaalsContact O-N 3.07Å; Y627-L630 HydrophobicContact CD1-CD1 4.05Å; Y627-L630 HydrophobicContact CE1-CD1 4.32Å; Y627-Y631 WeakPolarHBondContact O-CB 3.26Å; Y627-Y631 PolarHBondContact O-N 2.89Å; Y627-V658 HydrophobicContact CD1-CG2 3.67Å; Y627-V658 HydrophobicContact CD2-CG2 3.8Å; Y627-V658 HydrophobicContact CE1-CB 4.38Å; Y627-V658 HydrophobicContact CE1-CG1 4.25Å; Y627-V658 HydrophobicContact CE1-CG2 3.88Å; Y627-V658 HydrophobicContact CE2-CG1 4.11Å; Y627-V658 HydrophobicContact CE2-CG2 4Å; Y627-V658 HydrophobicContact CG-CG2 3.65Å; Y627-V661 HydrophobicContact CE1-CB 4.48Å; Y627-V661 HydrophobicContact CE1-CG1 4.35Å; Y627-T662 WeakPolarHBondContact OH-CG2 3.39Å
628	H	97.9	Very high	96	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-63.3	-44.7	167.8	-69.5	-173.2	0	0	0	111.1	R546 F547 L548 P549 Y623 K625 Y626 Y631 T632	R546-H628 PolarHBondContact O-CE1 2.82Å; R546-H628 PolarHBondContact O-NE2 3.13Å; F547-H628 AromaticContact CD1-NE2 3.94Å; F547-H628 VanDerWaalsContact O-CA 3.3Å; F547-H628 WeakPolarHBondContact O-CA 3.47Å; F547-H628 WeakPolarHBondContact O-CB 3.35Å; L548-H628 PolarHBondContact O-ND1 2.92Å; P549-H628 HydrophobicContact CB-CB 4.5Å; Y623-H628 AromaticContact CE2-CD2 3.63Å; Y623-H628 AromaticContact CE2-NE2 3.38Å; Y623-H628 WeakPolarHBondContact CE2-NE2 3.1Å; Y623-H628 AromaticContact CZ-NE2 3.72Å; Y623-H628 PolarHBondContact OH-NE2 3.3Å; Y623-H628 VanDerWaalsContact OH-NE2 3.13Å; K625-H628 VanDerWaalsContact O-CB 3.26Å; K625-H628 WeakPolarHBondContact O-CB 3.25Å; K625-H628 PolarHBondContact O-N 3.32Å; Y626-H628 VanDerWaalsContact C-N 3.28Å; Y626-H628 PolarHBondContact O-N 2.71Å; H628-Y631 PolarHBondContact O-N 3.2Å; H628-T632 WeakPolarHBondContact O-CB 3.28Å; H628-T632 PolarHBondContact O-N 2.88Å; H628-T632 PolarHBondContact O-OG1 2.89Å
629	Y	97.3	Very high	95.8	Very high	38 Å²	38	19.2 Å²	19.2	15%	0.149	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-48.7	177.6	-171.8	-92	0	0	0	111.3	L452 R454 Y455 Y626 Y631 T632 T633	L452-Y629 HydrophobicContact CB-CE1 4.1Å; L452-Y629 HydrophobicContact CD1-CD1 4.23Å; L452-Y629 HydrophobicContact CD1-CE1 3.81Å; R454-Y629 WeakPolarHBondContact CB-OH 3.09Å; R454-Y629 PolarHBondContact O-OH 3.35Å; Y455-Y629 HydrophobicContact CD2-CD1 4.13Å; Y455-Y629 AromaticContact CD2-CD2 3.75Å; Y455-Y629 HydrophobicContact CD2-CD2 3.75Å; Y455-Y629 HydrophobicContact CD2-CE2 4.33Å; Y455-Y629 AromaticContact CD2-CG 3.62Å; Y455-Y629 HydrophobicContact CD2-CG 3.62Å; Y455-Y629 HydrophobicContact CE2-CG 4.43Å; Y455-Y629 HydrophobicContact CG-CD1 4.3Å; Y455-Y629 HydrophobicContact CG-CG 4.25Å; Y626-Y629 HydrophobicContact CE2-CD1 4Å; Y626-Y629 WeakPolarHBondContact O-CB 3.42Å; Y626-Y629 PolarHBondContact O-N 3.15Å; Y626-Y629 VanDerWaalsContact O-N 3.13Å; Y629-Y631 PolarHBondContact O-N 3.26Å; Y629-T632 PolarHBondContact O-N 3.36Å; Y629-T633 HydrophobicContact CD1-CG2 4.38Å; Y629-T633 VanDerWaalsContact CD1-OG1 3.3Å; Y629-T633 WeakPolarHBondContact CD1-OG1 3.08Å; Y629-T633 HydrophobicContact CD2-CG2 4.15Å; Y629-T633 HydrophobicContact CE1-CG2 4.1Å; Y629-T633 WeakPolarHBondContact CE1-OG1 3.36Å; Y629-T633 HydrophobicContact CE2-CG2 3.89Å; Y629-T633 HydrophobicContact CG-CG2 4.4Å; Y629-T633 WeakPolarHBondContact O-CB 3.48Å; Y629-T633 WeakPolarHBondContact O-CG2 3.33Å; Y629-T633 PolarHBondContact O-N 2.85Å; Y629-T633 PolarHBondContact O-OG1 3.09Å
630	L	97.4	Very high	95.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-43.1	176.3	-72.3	179.5	0	0	0	112.1	L452 Y626 Y627 T632 Y634 L635 L657 V661	L452-L630 HydrophobicContact CD1-CD2 3.71Å; L452-L630 HydrophobicContact CG-CD2 4.08Å; Y626-L630 HydrophobicContact CD1-CD1 3.95Å; Y626-L630 HydrophobicContact CD1-CG 4.25Å; Y626-L630 HydrophobicContact CE1-CD1 3.53Å; Y626-L630 HydrophobicContact CE1-CD2 4.16Å; Y626-L630 HydrophobicContact CE1-CG 3.76Å; Y626-L630 HydrophobicContact CE2-CG 4.27Å; Y626-L630 PolarHBondContact O-N 3.15Å; Y627-L630 HydrophobicContact CD1-CD1 4.05Å; Y627-L630 HydrophobicContact CE1-CD1 4.32Å; L630-T632 PolarHBondContact O-N 3.46Å; L630-Y634 HydrophobicContact CD2-CG 4.32Å; L630-Y634 WeakPolarHBondContact O-CA 3.5Å; L630-Y634 WeakPolarHBondContact O-CB 3.42Å; L630-Y634 PolarHBondContact O-N 3.47Å; L630-L635 PolarHBondContact O-N 3.13Å; L630-L657 HydrophobicContact CB-CD1 4.23Å; L630-L657 HydrophobicContact CB-CD2 3.86Å; L630-L657 HydrophobicContact CB-CG 4.45Å; L630-V661 HydrophobicContact CD1-CG2 3.83Å
631	Y	97.1	Very high	95.7	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-40.8	177.6	-169.3	-80.8	0	0	0	111.3	F547 Y627 H628 Y629 L635 R640 L653 M654 L657	F547-Y631 HydrophobicContact CB-CD1 3.96Å; F547-Y631 HydrophobicContact CB-CE1 4.42Å; F547-Y631 HydrophobicContact CB-CG 4.12Å; F547-Y631 HydrophobicContact CD2-CD1 4.17Å; F547-Y631 HydrophobicContact CD2-CD2 4Å; F547-Y631 AromaticContact CD2-CE1 3.96Å; F547-Y631 HydrophobicContact CD2-CE1 3.96Å; F547-Y631 AromaticContact CD2-CE2 3.75Å; F547-Y631 HydrophobicContact CD2-CE2 3.75Å; F547-Y631 HydrophobicContact CD2-CG 4.2Å; F547-Y631 AromaticContact CD2-CZ 3.74Å; F547-Y631 HydrophobicContact CE2-CE2 4.06Å; F547-Y631 HydrophobicContact CG-CG 4.49Å; Y627-Y631 WeakPolarHBondContact O-CB 3.26Å; Y627-Y631 PolarHBondContact O-N 2.89Å; H628-Y631 PolarHBondContact O-N 3.2Å; Y629-Y631 PolarHBondContact O-N 3.26Å; Y631-L635 HydrophobicContact CD2-CD1 3.71Å; Y631-L635 HydrophobicContact CE2-CD1 4.07Å; Y631-L635 HydrophobicContact CG-CD1 4.03Å; Y631-L635 WeakPolarHBondContact O-CB 3.5Å; Y631-R640 HydrophobicContact CD1-CG 4.43Å; Y631-R640 HydrophobicContact CE1-CG 3.95Å; Y631-R640 WeakPolarHBondContact O-CD 3.36Å; Y631-R640 PolarHBondContact O-NH1 3.39Å; Y631-L653 HydrophobicContact CE2-CB 4.17Å; Y631-L653 HydrophobicContact CE2-CD2 3.88Å; Y631-L653 HydrophobicContact CE2-CG 3.88Å; Y631-M654 HydrophobicContact CD2-CE 3.73Å; Y631-M654 HydrophobicContact CD2-SD 4.32Å; Y631-M654 HydrophobicContact CG-CE 4.13Å; Y631-L657 HydrophobicContact CD2-CD2 4.42Å
632	T	94.6	Very high	95.5	Very high	34 Å²	34	26 Å²	26	21%	0.209	15%	0.148	C	C	.	.	H	α-helix	trans	-84.8	-31.8	-174.9	-56.1	0	0	0	0	113.9	F547 L548 H628 Y629 L630 R640	F547-T632 PolarHBondContact O-OG1 3.09Å; L548-T632 HydrophobicContact CD2-CG2 4.3Å; H628-T632 WeakPolarHBondContact O-CB 3.28Å; H628-T632 PolarHBondContact O-N 2.88Å; H628-T632 PolarHBondContact O-OG1 2.89Å; Y629-T632 PolarHBondContact O-N 3.36Å; L630-T632 PolarHBondContact O-N 3.46Å; T632-R640 PolarHBondContact O-NH1 3.24Å; T632-R640 PolarHBondContact O-NH2 3.32Å
633	T	93.1	Very high	95.3	Very high	54 Å²	54	26 Å²	26	33%	0.331	15%	0.148	S	C	.	.	H	α-helix	trans	-113.2	-26.8	-170.8	66	0	0	0	0	114.3	Y629	Y629-T633 HydrophobicContact CD1-CG2 4.38Å; Y629-T633 VanDerWaalsContact CD1-OG1 3.3Å; Y629-T633 WeakPolarHBondContact CD1-OG1 3.08Å; Y629-T633 HydrophobicContact CD2-CG2 4.15Å; Y629-T633 HydrophobicContact CE1-CG2 4.1Å; Y629-T633 WeakPolarHBondContact CE1-OG1 3.36Å; Y629-T633 HydrophobicContact CE2-CG2 3.89Å; Y629-T633 HydrophobicContact CG-CG2 4.4Å; Y629-T633 WeakPolarHBondContact O-CB 3.48Å; Y629-T633 WeakPolarHBondContact O-CG2 3.33Å; Y629-T633 PolarHBondContact O-N 2.85Å; Y629-T633 PolarHBondContact O-OG1 3.09Å
634	Y	93.6	Very high	95.1	Very high	44 Å²	44	28 Å²	28	17%	0.173	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-46	-178.5	-177.2	-90.4	0	0	0	112	L449 F450 L452 L630 L657 W708	L449-Y634 WeakPolarHBondContact O-CE2 3.43Å; F450-Y634 HydrophobicContact CD1-CE1 4.26Å; F450-Y634 HydrophobicContact CD1-CE2 4.1Å; F450-Y634 AromaticContact CD1-CZ 3.9Å; F450-Y634 HydrophobicContact CE1-CD1 4.47Å; F450-Y634 AromaticContact CE1-CE1 3.65Å; F450-Y634 HydrophobicContact CE1-CE1 3.65Å; F450-Y634 HydrophobicContact CE1-CE2 4.09Å; F450-Y634 AromaticContact CE1-CZ 3.42Å; F450-Y634 VanDerWaalsContact CE1-CZ 3.42Å; F450-Y634 VanDerWaalsContact CE1-OH 3.28Å; F450-Y634 WeakPolarHBondContact CE1-OH 3.24Å; L452-Y634 HydrophobicContact CD1-CD2 4.49Å; L630-Y634 HydrophobicContact CD2-CG 4.32Å; L630-Y634 WeakPolarHBondContact O-CA 3.5Å; L630-Y634 WeakPolarHBondContact O-CB 3.42Å; L630-Y634 PolarHBondContact O-N 3.47Å; Y634-L657 HydrophobicContact CD1-CD1 4.34Å; Y634-W708 HydrophobicContact CE1-CH2 4.2Å
635	L	93.9	Very high	94.8	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	19%	0.193	C	C	.	.	S	Bend	trans	-64.5	147.8	177.8	-63.4	177.6	0	0	0	110.8	L630 Y631 R640 L653 L657 W708 F709	L630-L635 PolarHBondContact O-N 3.13Å; Y631-L635 HydrophobicContact CD2-CD1 3.71Å; Y631-L635 HydrophobicContact CE2-CD1 4.07Å; Y631-L635 HydrophobicContact CG-CD1 4.03Å; Y631-L635 WeakPolarHBondContact O-CB 3.5Å; L635-R640 PolarHBondContact O-NH1 3.09Å; L635-L653 HydrophobicContact CD1-CD1 4.06Å; L635-L653 HydrophobicContact CD1-CD2 3.93Å; L635-L653 HydrophobicContact CD1-CG 3.8Å; L635-L657 HydrophobicContact CD1-CD2 4.22Å; L635-L657 HydrophobicContact CD2-CD1 4.16Å; L635-L657 HydrophobicContact CG-CD1 4.42Å; L635-L657 HydrophobicContact CG-CD2 4.47Å; L635-W708 HydrophobicContact CD2-CH2 4.15Å; L635-W708 HydrophobicContact CD2-CZ3 3.86Å; L635-F709 HydrophobicContact CD2-CZ 4.06Å
636	P	91.8	Very high	94.4	Very high	25 Å²	25	35.7 Å²	35.7	16%	0.162	20%	0.196	C	C	.	.			trans	-71.6	148.9	177	31.9	-38.5	0	0	0	110.5	S638 L639 R640 W708	P636-S638 PolarHBondContact O-N 2.85Å; P636-L639 HydrophobicContact CG-CB 4.04Å; P636-L639 HydrophobicContact CG-CD1 3.87Å; P636-L639 HydrophobicContact CG-CG 3.71Å; P636-L639 PolarHBondContact O-N 2.98Å; P636-R640 PolarHBondContact O-N 3.1Å; P636-W708 HydrophobicContact CG-CD2 4.27Å; P636-W708 HydrophobicContact CG-CZ2 3.81Å
637	A	91.3	Very high	94.1	Very high	57 Å²	57	38.7 Å²	38.7	47%	0.471	22%	0.216	S	C	.	.	H	α-helix	trans	-57.1	-36	176.9	0	0	0	0	0	111.9	L639 R640 T641	A637-L639 VanDerWaalsContact C-N 3.33Å; A637-L639 PolarHBondContact O-N 2.95Å; A637-R640 PolarHBondContact O-N 2.89Å; A637-T641 WeakPolarHBondContact O-CB 3.3Å; A637-T641 PolarHBondContact O-N 2.55Å; A637-T641 PolarHBondContact O-OG1 3.13Å
638	S	92.3	Very high	93.8	Very high	80 Å²	80	38.9 Å²	38.9	56%	0.559	22%	0.217	S	C	*	.	H	α-helix	trans	-57.9	-39.1	179.2	57.3	0	0	0	0	114	P636 M642	P636-S638 PolarHBondContact O-N 2.85Å; S638-M642 WeakPolarHBondContact O-CB 3.01Å; S638-M642 PolarHBondContact O-N 3Å
639	L	93.3	Very high	93.7	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-72.9	-41.5	176.3	-71.8	-173	0	0	0	111.8	P636 A637 M642 V643 L653 F705 W708	P636-L639 HydrophobicContact CG-CB 4.04Å; P636-L639 HydrophobicContact CG-CD1 3.87Å; P636-L639 HydrophobicContact CG-CG 3.71Å; P636-L639 PolarHBondContact O-N 2.98Å; A637-L639 VanDerWaalsContact C-N 3.33Å; A637-L639 PolarHBondContact O-N 2.95Å; L639-M642 HydrophobicContact CD2-CE 4.18Å; L639-M642 PolarHBondContact O-N 2.9Å; L639-V643 PolarHBondContact O-N 2.81Å; L639-V643 VanDerWaalsContact O-N 3.13Å; L639-L653 HydrophobicContact CB-CD2 4.34Å; L639-L653 HydrophobicContact CD1-CD1 4.34Å; L639-F705 HydrophobicContact CD1-CD1 4.47Å; L639-F705 HydrophobicContact CD2-CD1 3.94Å; L639-F705 HydrophobicContact CD2-CE1 4.18Å; L639-W708 HydrophobicContact CD1-CB 4Å; L639-W708 HydrophobicContact CD1-CD2 3.55Å; L639-W708 HydrophobicContact CD1-CE3 3.62Å; L639-W708 HydrophobicContact CD1-CG 3.68Å; L639-W708 HydrophobicContact CD1-CZ3 4.38Å; L639-W708 HydrophobicContact CD2-CB 4.46Å; L639-W708 HydrophobicContact CG-CG 4.34Å
640	R	94.3	Very high	93.6	Very high	53 Å²	53	37.4 Å²	37.4	20%	0.2	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-48.7	177	-69.8	-163.6	-67.9	-90.2	-1.9	111.8	Y631 T632 L635 P636 A637 M642 V643 D644	Y631-R640 HydrophobicContact CD1-CG 4.43Å; Y631-R640 HydrophobicContact CE1-CG 3.95Å; Y631-R640 WeakPolarHBondContact O-CD 3.36Å; Y631-R640 PolarHBondContact O-NH1 3.39Å; T632-R640 PolarHBondContact O-NH1 3.24Å; T632-R640 PolarHBondContact O-NH2 3.32Å; L635-R640 PolarHBondContact O-NH1 3.09Å; P636-R640 PolarHBondContact O-N 3.1Å; A637-R640 PolarHBondContact O-N 2.89Å; R640-M642 VanDerWaalsContact C-N 3.26Å; R640-M642 PolarHBondContact O-N 2.92Å; R640-V643 WeakPolarHBondContact O-CB 3.27Å; R640-V643 PolarHBondContact O-N 3.16Å; R640-V643 VanDerWaalsContact O-N 3.11Å; R640-D644 PolarHBondContact O-N 3.21Å
641	T	93.8	Very high	93.6	Very high	67 Å²	67	37.5 Å²	37.5	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-60.1	-37.1	178	-58.4	0	0	0	0	111.7	A637 D644 Q645	A637-T641 WeakPolarHBondContact O-CB 3.3Å; A637-T641 PolarHBondContact O-N 2.55Å; A637-T641 PolarHBondContact O-OG1 3.13Å; T641-D644 PolarHBondContact O-N 3.33Å; T641-Q645 HydrophobicContact CG2-CG 4.26Å; T641-Q645 WeakPolarHBondContact O-CB 3.46Å; T641-Q645 WeakPolarHBondContact O-CG 3.35Å; T641-Q645 PolarHBondContact O-N 3.05Å
642	M	94.2	Very high	93.6	Very high	32 Å²	32	37.4 Å²	37.4	16%	0.158	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-45.2	174.5	-179.3	-168.9	-48.6	0	0	112.4	S638 L639 R640 D644 Q645 M646 K704	S638-M642 WeakPolarHBondContact O-CB 3.01Å; S638-M642 PolarHBondContact O-N 3Å; L639-M642 HydrophobicContact CD2-CE 4.18Å; L639-M642 PolarHBondContact O-N 2.9Å; R640-M642 VanDerWaalsContact C-N 3.26Å; R640-M642 PolarHBondContact O-N 2.92Å; M642-D644 VanDerWaalsContact C-N 3.32Å; M642-D644 PolarHBondContact O-N 3.14Å; M642-Q645 PolarHBondContact O-N 2.6Å; M642-M646 HydrophobicContact CG-CE 4.29Å; M642-M646 HydrophobicContact CG-SD 4.04Å; M642-M646 WeakPolarHBondContact O-CB 3.38Å; M642-M646 VanDerWaalsContact O-CG 3.3Å; M642-M646 WeakPolarHBondContact O-CG 3.32Å; M642-M646 PolarHBondContact O-N 3.06Å; M642-K704 HydrophobicContact CE-CD 3.51Å; M642-K704 HydrophobicContact SD-CB 4.27Å; M642-K704 HydrophobicContact SD-CD 3.3Å; M642-K704 WeakPolarHBondContact SD-CD 3.41Å; M642-K704 HydrophobicContact SD-CG 4.43Å
643	V	95.2	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-44.4	175.2	161.9	0	0	0	0	110.8	I543 L639 R640 M646 S647 N648 C649 E650 L653 F705	I543-V643 HydrophobicContact CG2-CG1 3.95Å; L639-V643 PolarHBondContact O-N 2.81Å; L639-V643 VanDerWaalsContact O-N 3.13Å; R640-V643 WeakPolarHBondContact O-CB 3.27Å; R640-V643 PolarHBondContact O-N 3.16Å; R640-V643 VanDerWaalsContact O-N 3.11Å; V643-M646 PolarHBondContact O-N 2.61Å; V643-S647 WeakPolarHBondContact O-CA 3.26Å; V643-S647 PolarHBondContact O-N 3.17Å; V643-N648 WeakPolarHBondContact CG1-O 3.48Å; V643-N648 PolarHBondContact O-N 3.33Å; V643-C649 HydrophobicContact CG2-CB 4.5Å; V643-E650 HydrophobicContact CG1-CB 3.53Å; V643-L653 HydrophobicContact CG2-CB 4.42Å; V643-L653 HydrophobicContact CG2-CD2 3.79Å; V643-F705 HydrophobicContact CG2-CE1 4.34Å; V643-F705 HydrophobicContact CG2-CZ 3.78Å
644	D	93.1	Very high	94	Very high	41 Å²	41	33.2 Å²	33.2	22%	0.219	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-42.2	-179.7	-67.6	-31.1	0	0	0	112.4	V542 S544 R640 T641 M642 S647	V542-D644 HydrophobicContact CB-CB 4.02Å; V542-D644 WeakPolarHBondContact CB-OD1 3.34Å; V542-D644 HydrophobicContact CG1-CB 4.04Å; V542-D644 HydrophobicContact CG2-CB 4.44Å; V542-D644 WeakPolarHBondContact CG2-OD1 3.34Å; S544-D644 WeakPolarHBondContact CB-OD1 3.22Å; S544-D644 PolarHBondContact N-OD1 3.48Å; S544-D644 VanDerWaalsContact OG-CG 3.25Å; S544-D644 PolarHBondContact OG-OD1 3.31Å; S544-D644 PolarHBondContact OG-OD2 2.89Å; R640-D644 PolarHBondContact O-N 3.21Å; T641-D644 PolarHBondContact O-N 3.33Å; M642-D644 VanDerWaalsContact C-N 3.32Å; M642-D644 PolarHBondContact O-N 3.14Å; D644-S647 PolarHBondContact O-N 2.99Å
645	Q	92.5	Very high	94.3	Very high	156 Å²	156	31.1 Å²	31.1	73%	0.729	18%	0.178	S	C	*	.	H	α-helix	trans	-64.6	-38	175.8	-75.5	172.9	-8.8	0	0	112.4	T641 M642 S647	T641-Q645 HydrophobicContact CG2-CG 4.26Å; T641-Q645 WeakPolarHBondContact O-CB 3.46Å; T641-Q645 WeakPolarHBondContact O-CG 3.35Å; T641-Q645 PolarHBondContact O-N 3.05Å; M642-Q645 PolarHBondContact O-N 2.6Å; Q645-S647 VanDerWaalsContact C-N 3.32Å
646	M	90.6	Very high	94.5	Very high	55 Å²	55	30.9 Å²	30.9	27%	0.271	18%	0.177	S	C	.	.	H	α-helix	trans	-78.1	-19	176.6	-70.6	-179.4	163.7	0	0	112.7	M642 V643 N648 C701	M642-M646 HydrophobicContact CG-CE 4.29Å; M642-M646 HydrophobicContact CG-SD 4.04Å; M642-M646 WeakPolarHBondContact O-CB 3.38Å; M642-M646 VanDerWaalsContact O-CG 3.3Å; M642-M646 WeakPolarHBondContact O-CG 3.32Å; M642-M646 PolarHBondContact O-N 3.06Å; V643-M646 PolarHBondContact O-N 2.61Å; M646-N648 HydrophobicContact CB-CB 4.35Å; M646-N648 PolarHBondContact O-N 3.03Å; M646-C701 VanDerWaalsContact SD-SG 3.7Å
647	S	90.6	Very high	94.8	Very high	62 Å²	62	29.7 Å²	29.7	43%	0.434	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	39.5	-170.8	-146	0	0	0	0	112.3	V643 D644 Q645	V643-S647 WeakPolarHBondContact O-CA 3.26Å; V643-S647 PolarHBondContact O-N 3.17Å; D644-S647 PolarHBondContact O-N 2.99Å; Q645-S647 VanDerWaalsContact C-N 3.32Å
648	N	92.3	Very high	95.1	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	15%	0.148	C	C	.	.			trans	-159.7	167.3	-172.2	-160.8	-10.2	0	0	0	110.1	V643 M646 E650 H694 Q697 R698	V643-N648 WeakPolarHBondContact CG1-O 3.48Å; V643-N648 PolarHBondContact O-N 3.33Å; M646-N648 HydrophobicContact CB-CB 4.35Å; M646-N648 PolarHBondContact O-N 3.03Å; N648-E650 PolarHBondContact O-N 3.09Å; N648-H694 PolarHBondContact ND2-CD2 3.2Å; N648-H694 PolarHBondContact ND2-NE2 3.48Å; N648-H694 PolarHBondContact ND2-O 2.92Å; N648-H694 PolarHBondContact OD1-NE2 3.28Å; N648-Q697 PolarHBondContact ND2-OE1 2.77Å; N648-Q697 VanDerWaalsContact ND2-OE1 3.15Å; N648-R698 PolarHBondContact OD1-NE 3.17Å; N648-R698 PolarHBondContact OD1-NH2 3.05Å
649	C	95.3	Very high	95.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.			trans	68.3	8.4	172.4	-46.4	0	0	0	0	116.6	V643 D651 I652 L653 C701 F705	V643-C649 HydrophobicContact CG2-CB 4.5Å; C649-D651 PolarHBondContact O-N 3.03Å; C649-I652 HydrophobicContact CB-CB 4.49Å; C649-I652 HydrophobicContact CB-CD1 4.43Å; C649-I652 PolarHBondContact O-N 2.9Å; C649-L653 WeakPolarHBondContact O-CB 3.49Å; C649-L653 PolarHBondContact O-N 3.17Å; C649-C701 HydrophobicContact CB-CB 3.44Å; C649-C701 VanDerWaalsContact CB-CB 3.44Å; C649-C701 WeakPolarHBondContact CB-SG 3.41Å; C649-C701 WeakPolarHBondContact SG-CB 3.43Å; C649-C701 CovalentContact SG-SG 2.03Å; C649-C701 PolarHBondContact SG-SG 3.1Å; C649-F705 HydrophobicContact CB-CE2 4.08Å; C649-F705 HydrophobicContact CB-CZ 4.07Å
650	E	95.8	Very high	95.3	Very high	9 Å²	9	23.5 Å²	23.5	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-36.9	174.4	86	-63.9	167.5	0	0	111	I543 F547 V643 N648 L653 M654	I543-E650 HydrophobicContact CD1-CG 4.28Å; I543-E650 VanDerWaalsContact CD1-OE2 3.3Å; I543-E650 WeakPolarHBondContact CD1-OE2 3.49Å; I543-E650 HydrophobicContact CG1-CG 4.03Å; I543-E650 HydrophobicContact CG2-CB 4.22Å; F547-E650 HydrophobicContact CE2-CB 3.75Å; F547-E650 HydrophobicContact CE2-CG 3.6Å; F547-E650 HydrophobicContact CZ-CG 3.98Å; V643-E650 HydrophobicContact CG1-CB 3.53Å; N648-E650 PolarHBondContact O-N 3.09Å; E650-L653 PolarHBondContact O-N 3.5Å; E650-M654 WeakPolarHBondContact O-CB 2.94Å; E650-M654 PolarHBondContact O-N 2.91Å
651	D	96.8	Very high	95.4	Very high	2 Å²	2	21 Å²	21	1%	0.011	11%	0.114	C	C	.	.	H	α-helix	trans	-66.8	-43.8	175.5	58.4	-1.6	0	0	0	112.2	L617 T618 C649 M654 N655 R698	L617-D651 HydrophobicContact CB-CB 4.46Å; L617-D651 HydrophobicContact CD2-CB 4.36Å; L617-D651 VanDerWaalsContact CD2-OD2 3.3Å; L617-D651 WeakPolarHBondContact CD2-OD2 3.35Å; T618-D651 WeakPolarHBondContact OG1-CA 3.14Å; T618-D651 VanDerWaalsContact OG1-CB 3.24Å; T618-D651 WeakPolarHBondContact OG1-CB 3.4Å; C649-D651 PolarHBondContact O-N 3.03Å; D651-M654 PolarHBondContact O-N 3.4Å; D651-N655 PolarHBondContact O-N 3.27Å; D651-N655 PolarHBondContact O-ND2 2.89Å; D651-R698 IonicContact OD1-CZ 3.24Å; D651-R698 IonicContact OD1-NH1 2.76Å; D651-R698 PolarHBondContact OD1-NH1 2.87Å; D651-R698 IonicContact OD1-NH2 3.15Å; D651-R698 PolarHBondContact OD1-NH2 3.49Å; D651-R698 IonicContact OD2-CZ 3.54Å; D651-R698 VanDerWaalsContact OD2-CZ 3.24Å; D651-R698 IonicContact OD2-NH1 3.71Å; D651-R698 PolarHBondContact OD2-NH1 2.98Å; D651-R698 IonicContact OD2-NH2 2.93Å; D651-R698 PolarHBondContact OD2-NH2 3.08Å
652	I	97.7	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-47.9	175	-62.4	174.4	0	0	0	109.1	Y605 M615 C649 M654 N655 F656 R698 F705	Y605-I652 HydrophobicContact CD2-CD1 4.07Å; Y605-I652 HydrophobicContact CE2-CD1 4.21Å; M615-I652 HydrophobicContact SD-CG1 4.18Å; M615-I652 HydrophobicContact SD-CG2 4.19Å; C649-I652 HydrophobicContact CB-CB 4.49Å; C649-I652 HydrophobicContact CB-CD1 4.43Å; C649-I652 PolarHBondContact O-N 2.9Å; I652-M654 VanDerWaalsContact C-N 3.32Å; I652-M654 PolarHBondContact O-N 2.87Å; I652-N655 PolarHBondContact O-N 2.85Å; I652-N655 VanDerWaalsContact O-N 3.16Å; I652-F656 HydrophobicContact CG2-CD2 3.75Å; I652-F656 HydrophobicContact CG2-CE2 3.64Å; I652-F656 VanDerWaalsContact O-CD2 3.28Å; I652-F656 WeakPolarHBondContact O-CD2 3.49Å; I652-F656 PolarHBondContact O-N 3.04Å; I652-R698 HydrophobicContact CD1-CB 3.76Å; I652-R698 HydrophobicContact CD1-CG 3.76Å; I652-F705 HydrophobicContact CB-CE2 4.19Å; I652-F705 HydrophobicContact CG2-CD2 3.87Å; I652-F705 HydrophobicContact CG2-CE2 3.95Å
653	L	98	Very high	95.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.1	-40.4	-179.9	-174.8	54	0	0	0	111.6	Y631 L635 L639 V643 C649 E650 F656 L657 F705 F709	Y631-L653 HydrophobicContact CE2-CB 4.17Å; Y631-L653 HydrophobicContact CE2-CD2 3.88Å; Y631-L653 HydrophobicContact CE2-CG 3.88Å; L635-L653 HydrophobicContact CD1-CD1 4.06Å; L635-L653 HydrophobicContact CD1-CD2 3.93Å; L635-L653 HydrophobicContact CD1-CG 3.8Å; L639-L653 HydrophobicContact CB-CD2 4.34Å; L639-L653 HydrophobicContact CD1-CD1 4.34Å; V643-L653 HydrophobicContact CG2-CB 4.42Å; V643-L653 HydrophobicContact CG2-CD2 3.79Å; C649-L653 WeakPolarHBondContact O-CB 3.49Å; C649-L653 PolarHBondContact O-N 3.17Å; E650-L653 PolarHBondContact O-N 3.5Å; L653-F656 WeakPolarHBondContact O-CB 3.39Å; L653-F656 PolarHBondContact O-N 2.92Å; L653-L657 WeakPolarHBondContact O-CB 3.41Å; L653-L657 PolarHBondContact O-N 3.13Å; L653-F705 HydrophobicContact CB-CD2 4.26Å; L653-F705 HydrophobicContact CB-CE2 3.66Å; L653-F705 HydrophobicContact CB-CZ 3.83Å; L653-F705 HydrophobicContact CD1-CD1 4.01Å; L653-F705 HydrophobicContact CD1-CD2 4.16Å; L653-F705 HydrophobicContact CD1-CE1 4.1Å; L653-F705 HydrophobicContact CD1-CE2 4.23Å; L653-F705 HydrophobicContact CD1-CG 4.06Å; L653-F705 HydrophobicContact CD1-CZ 4.22Å; L653-F705 HydrophobicContact CD2-CE1 4.36Å; L653-F705 HydrophobicContact CD2-CZ 4.29Å; L653-F705 HydrophobicContact CG-CE2 4.45Å; L653-F705 HydrophobicContact CG-CZ 4.34Å; L653-F709 HydrophobicContact CD1-CE2 4.38Å
654	M	98.3	Very high	95.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-43.3	173.8	-173.9	62	78.4	0	0	111.9	F547 I586 T618 Y631 E650 D651 I652 F656 L657 V658	F547-M654 HydrophobicContact CB-CE 4.08Å; F547-M654 HydrophobicContact CD1-CE 3.43Å; F547-M654 VanDerWaalsContact CD1-CE 3.43Å; F547-M654 HydrophobicContact CD2-CE 3.8Å; F547-M654 HydrophobicContact CE1-CE 3.69Å; F547-M654 HydrophobicContact CE2-CB 4.42Å; F547-M654 HydrophobicContact CE2-CE 4Å; F547-M654 HydrophobicContact CG-CE 3.51Å; F547-M654 HydrophobicContact CZ-CB 4.28Å; F547-M654 HydrophobicContact CZ-CE 3.96Å; I586-M654 HydrophobicContact CD1-CG 4.3Å; T618-M654 HydrophobicContact CG2-CB 3.97Å; T618-M654 HydrophobicContact CG2-CG 3.83Å; Y631-M654 HydrophobicContact CD2-CE 3.73Å; Y631-M654 HydrophobicContact CD2-SD 4.32Å; Y631-M654 HydrophobicContact CG-CE 4.13Å; E650-M654 WeakPolarHBondContact O-CB 2.94Å; E650-M654 PolarHBondContact O-N 2.91Å; D651-M654 PolarHBondContact O-N 3.4Å; I652-M654 VanDerWaalsContact C-N 3.32Å; I652-M654 PolarHBondContact O-N 2.87Å; M654-F656 PolarHBondContact O-N 2.82Å; M654-L657 PolarHBondContact O-N 2.82Å; M654-L657 HydrophobicContact SD-CD2 4.28Å; M654-V658 HydrophobicContact CG-CG2 4.44Å; M654-V658 WeakPolarHBondContact O-CG2 3.44Å; M654-V658 PolarHBondContact O-N 2.66Å; M654-V658 HydrophobicContact SD-CG2 4.22Å
655	N	98.5	Very high	95.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.8	-39.1	176.2	-82.3	-95.7	0	0	0	112.2	M615 V616 D651 I652 S659 L714	M615-N655 VanDerWaalsContact CA-OD1 3.28Å; M615-N655 WeakPolarHBondContact CA-OD1 3.32Å; M615-N655 HydrophobicContact CB-CB 4.31Å; M615-N655 HydrophobicContact CG-CB 3.81Å; V616-N655 PolarHBondContact N-OD1 3.49Å; V616-N655 PolarHBondContact O-ND2 3.49Å; V616-N655 PolarHBondContact O-OD1 3.46Å; D651-N655 PolarHBondContact O-N 3.27Å; D651-N655 PolarHBondContact O-ND2 2.89Å; I652-N655 PolarHBondContact O-N 2.85Å; I652-N655 VanDerWaalsContact O-N 3.16Å; N655-S659 WeakPolarHBondContact O-CB 3.35Å; N655-S659 PolarHBondContact O-N 2.87Å; N655-S659 PolarHBondContact O-OG 2.96Å; N655-L714 HydrophobicContact CB-CD2 3.97Å
656	F	98.1	Very high	95.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.8	-48.1	172.9	-92.9	-115.1	0	0	0	111	I652 L653 M654 S660 M702 F705 A706 F709 M712 P713 L714	I652-F656 HydrophobicContact CG2-CD2 3.75Å; I652-F656 HydrophobicContact CG2-CE2 3.64Å; I652-F656 VanDerWaalsContact O-CD2 3.28Å; I652-F656 WeakPolarHBondContact O-CD2 3.49Å; I652-F656 PolarHBondContact O-N 3.04Å; L653-F656 WeakPolarHBondContact O-CB 3.39Å; L653-F656 PolarHBondContact O-N 2.92Å; M654-F656 PolarHBondContact O-N 2.82Å; F656-S660 WeakPolarHBondContact O-CB 3.45Å; F656-S660 PolarHBondContact O-N 2.92Å; F656-S660 PolarHBondContact O-OG 3Å; F656-M702 HydrophobicContact CE2-CG 4.21Å; F656-M702 HydrophobicContact CZ-CG 3.9Å; F656-F705 HydrophobicContact CD1-CB 3.64Å; F656-F705 HydrophobicContact CD2-CD2 4.42Å; F656-F705 HydrophobicContact CE1-CB 3.63Å; F656-F705 HydrophobicContact CG-CB 4.16Å; F656-F705 HydrophobicContact CZ-CB 4.11Å; F656-A706 HydrophobicContact CE1-CB 4.12Å; F656-F709 HydrophobicContact CB-CD2 4.35Å; F656-F709 HydrophobicContact CB-CE2 3.75Å; F656-F709 HydrophobicContact CB-CZ 4.23Å; F656-F709 AromaticContact CD1-CD2 3.73Å; F656-F709 HydrophobicContact CD1-CD2 3.73Å; F656-F709 AromaticContact CD1-CE2 3.98Å; F656-F709 HydrophobicContact CD1-CE2 3.98Å; F656-F709 HydrophobicContact CG-CE2 4.36Å; F656-M712 HydrophobicContact CE1-CE 4.33Å; F656-M712 HydrophobicContact CE1-SD 3.93Å; F656-M712 HydrophobicContact CE2-SD 4.27Å; F656-M712 HydrophobicContact CZ-CE 3.79Å; F656-M712 HydrophobicContact CZ-SD 3.55Å; F656-M712 VanDerWaalsContact CZ-SD 3.55Å; F656-P713 HydrophobicContact CB-CG 4.08Å; F656-P713 HydrophobicContact CD1-CG 3.34Å; F656-P713 HydrophobicContact CE1-CG 3.93Å; F656-P713 HydrophobicContact CG-CG 3.82Å; F656-L714 HydrophobicContact CD2-CD1 4Å; F656-L714 HydrophobicContact CD2-CD2 3.81Å; F656-L714 HydrophobicContact CD2-CG 3.85Å; F656-L714 HydrophobicContact CE2-CD1 3.51Å; F656-L714 HydrophobicContact CE2-CD2 4.2Å; F656-L714 HydrophobicContact CE2-CG 3.75Å; F656-L714 HydrophobicContact CG-CD2 4.45Å; F656-L714 HydrophobicContact CZ-CD1 4.21Å; F656-L714 HydrophobicContact CZ-CG 4.31Å
657	L	97.8	Very high	96	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.9	-56.2	177.7	176.1	62.7	0	0	0	111.3	L630 Y631 Y634 L635 L653 M654 S659 S660 V661	L630-L657 HydrophobicContact CB-CD1 4.23Å; L630-L657 HydrophobicContact CB-CD2 3.86Å; L630-L657 HydrophobicContact CB-CG 4.45Å; Y631-L657 HydrophobicContact CD2-CD2 4.42Å; Y634-L657 HydrophobicContact CD1-CD1 4.34Å; L635-L657 HydrophobicContact CD1-CD2 4.22Å; L635-L657 HydrophobicContact CD2-CD1 4.16Å; L635-L657 HydrophobicContact CG-CD1 4.42Å; L635-L657 HydrophobicContact CG-CD2 4.47Å; L653-L657 WeakPolarHBondContact O-CB 3.41Å; L653-L657 PolarHBondContact O-N 3.13Å; M654-L657 PolarHBondContact O-N 2.82Å; M654-L657 HydrophobicContact SD-CD2 4.28Å; L657-S659 VanDerWaalsContact C-N 3.35Å; L657-S659 PolarHBondContact O-N 3.08Å; L657-S660 PolarHBondContact O-N 3.04Å; L657-S660 VanDerWaalsContact O-N 3.13Å; L657-S660 PolarHBondContact O-OG 2.86Å; L657-V661 HydrophobicContact CD1-CG2 4.26Å; L657-V661 VanDerWaalsContact O-CG2 3.31Å; L657-V661 WeakPolarHBondContact O-CG2 3.41Å; L657-V661 PolarHBondContact O-N 2.83Å
658	V	98.1	Very high	96.2	Very high	5 Å²	5	10.7 Å²	10.7	3%	0.03	6%	0.055	C	C	.	.	H	α-helix	trans	-62.4	-41.8	-177.4	178.2	0	0	0	0	111.6	I586 Y627 M654 S660 V661 T662	I586-V658 HydrophobicContact CD1-CB 4Å; I586-V658 HydrophobicContact CD1-CG1 4.42Å; I586-V658 HydrophobicContact CD1-CG2 3.84Å; I586-V658 HydrophobicContact CG1-CB 4.18Å; I586-V658 HydrophobicContact CG1-CG1 4.09Å; I586-V658 HydrophobicContact CG1-CG2 3.96Å; Y627-V658 HydrophobicContact CD1-CG2 3.67Å; Y627-V658 HydrophobicContact CD2-CG2 3.8Å; Y627-V658 HydrophobicContact CE1-CB 4.38Å; Y627-V658 HydrophobicContact CE1-CG1 4.25Å; Y627-V658 HydrophobicContact CE1-CG2 3.88Å; Y627-V658 HydrophobicContact CE2-CG1 4.11Å; Y627-V658 HydrophobicContact CE2-CG2 4Å; Y627-V658 HydrophobicContact CG-CG2 3.65Å; M654-V658 HydrophobicContact CG-CG2 4.44Å; M654-V658 WeakPolarHBondContact O-CG2 3.44Å; M654-V658 PolarHBondContact O-N 2.66Å; M654-V658 HydrophobicContact SD-CG2 4.22Å; V658-S660 VanDerWaalsContact C-N 3.32Å; V658-S660 PolarHBondContact O-N 3.1Å; V658-V661 PolarHBondContact O-N 3.06Å; V658-T662 HydrophobicContact CG1-CG2 4.12Å; V658-T662 WeakPolarHBondContact O-CB 3.22Å; V658-T662 WeakPolarHBondContact O-CG2 3.49Å; V658-T662 PolarHBondContact O-N 2.89Å; V658-T662 PolarHBondContact O-OG1 2.98Å
659	S	96.8	Very high	96.3	Very high	3 Å²	3	10.5 Å²	10.5	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-66.9	-34.5	177	-53.7	0	0	0	0	111.7	N655 L657 K663 P713	N655-S659 WeakPolarHBondContact O-CB 3.35Å; N655-S659 PolarHBondContact O-N 2.87Å; N655-S659 PolarHBondContact O-OG 2.96Å; L657-S659 VanDerWaalsContact C-N 3.35Å; L657-S659 PolarHBondContact O-N 3.08Å; S659-K663 WeakPolarHBondContact O-CA 3.49Å; S659-K663 PolarHBondContact O-N 2.83Å; S659-P713 WeakPolarHBondContact CB-O 3.23Å
660	S	94.6	Very high	95.7	Very high	4 Å²	4	12 Å²	12	3%	0.028	6%	0.063	C	C	.	.	H	α-helix	trans	-68.3	-34.9	176.7	77.4	0	0	0	0	112.6	F656 L657 V658 K663 F709	F656-S660 WeakPolarHBondContact O-CB 3.45Å; F656-S660 PolarHBondContact O-N 2.92Å; F656-S660 PolarHBondContact O-OG 3Å; L657-S660 PolarHBondContact O-N 3.04Å; L657-S660 VanDerWaalsContact O-N 3.13Å; L657-S660 PolarHBondContact O-OG 2.86Å; V658-S660 VanDerWaalsContact C-N 3.32Å; V658-S660 PolarHBondContact O-N 3.1Å; S660-K663 VanDerWaalsContact O-CE 3.26Å; S660-K663 WeakPolarHBondContact O-CE 3.24Å; S660-K663 PolarHBondContact O-NZ 3.21Å; S660-F709 WeakPolarHBondContact OG-CE1 3.41Å
661	V	95.6	Very high	94.7	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.012	7%	0.072	C	C	.	.	H	α-helix	trans	-74.4	-56.1	177.8	173.8	0	0	0	0	109.9	P446 F450 F464 Y627 L630 L657 V658	P446-V661 HydrophobicContact CB-CG1 3.77Å; P446-V661 WeakPolarHBondContact CB-O 3.49Å; P446-V661 HydrophobicContact CG-CG1 3.91Å; F450-V661 HydrophobicContact CB-CG1 4.2Å; F450-V661 HydrophobicContact CB-CG2 4.37Å; F450-V661 HydrophobicContact CD1-CG2 3.64Å; F450-V661 HydrophobicContact CE1-CG2 4.01Å; F450-V661 HydrophobicContact CG-CG1 4.47Å; F450-V661 HydrophobicContact CG-CG2 4.02Å; F464-V661 HydrophobicContact CE1-CG1 4.4Å; Y627-V661 HydrophobicContact CE1-CB 4.48Å; Y627-V661 HydrophobicContact CE1-CG1 4.35Å; L630-V661 HydrophobicContact CD1-CG2 3.83Å; L657-V661 HydrophobicContact CD1-CG2 4.26Å; L657-V661 VanDerWaalsContact O-CG2 3.31Å; L657-V661 WeakPolarHBondContact O-CG2 3.41Å; L657-V661 PolarHBondContact O-N 2.83Å; V658-V661 PolarHBondContact O-N 3.06Å
662	T	94.6	Very high	93.3	Very high	16 Å²	16	20.4 Å²	20.4	10%	0.098	10%	0.1	C	C	.	.	H	α-helix	trans	-83.1	-25.4	-169.5	60.8	0	0	0	0	113.7	D584 Y627 V658 L664	D584-T662 HydrophobicContact CB-CG2 4.32Å; D584-T662 VanDerWaalsContact O-CG2 3.24Å; D584-T662 WeakPolarHBondContact O-CG2 3.35Å; Y627-T662 WeakPolarHBondContact OH-CG2 3.39Å; V658-T662 HydrophobicContact CG1-CG2 4.12Å; V658-T662 WeakPolarHBondContact O-CB 3.22Å; V658-T662 WeakPolarHBondContact O-CG2 3.49Å; V658-T662 PolarHBondContact O-N 2.89Å; V658-T662 PolarHBondContact O-OG1 2.98Å; T662-L664 PolarHBondContact O-N 3.33Å; T662-L664 PolarHBondContact OG1-N 2.92Å; T662-L664 VanDerWaalsContact OG1-N 3.13Å
663	K	92.1	Very high	91.3	Very high	71 Å²	71	30.6 Å²	30.6	31%	0.309	14%	0.144	S	C	.	.			trans	59.4	18.6	-166.3	-47.5	-55.1	-172.1	-165.2	0	113.8	S659 S660	S659-K663 WeakPolarHBondContact O-CA 3.49Å; S659-K663 PolarHBondContact O-N 2.83Å; S660-K663 VanDerWaalsContact O-CE 3.26Å; S660-K663 WeakPolarHBondContact O-CE 3.24Å; S660-K663 PolarHBondContact O-NZ 3.21Å
664	L	94.2	Very high	88.9	Confident	56 Å²	56	36.2 Å²	36.2	29%	0.293	17%	0.17	S	C	.	.			trans	-116.3	151	-177.8	-63.6	175.5	0	0	0	111.4	D584 R585 T662	D584-L664 WeakPolarHBondContact OD2-CD1 3.43Å; R585-L664 HydrophobicContact CG-CB 4.27Å; R585-L664 HydrophobicContact CG-CD1 4.5Å; T662-L664 PolarHBondContact O-N 3.33Å; T662-L664 PolarHBondContact OG1-N 2.92Å; T662-L664 VanDerWaalsContact OG1-N 3.13Å
665	P	96.6	Very high	86.3	Confident	21 Å²	21	40.1 Å²	40.1	14%	0.136	19%	0.186	C	C	.	.			trans	-76.5	156.8	174	33.1	-35.9	0	0	0	111.5	R585 V715	R585-P665 WeakPolarHBondContact CD-O 3.42Å; P665-V715 HydrophobicContact CB-CB 4.07Å; P665-V715 HydrophobicContact CB-CG1 4.18Å; P665-V715 VanDerWaalsContact CB-O 3.3Å; P665-V715 WeakPolarHBondContact CB-O 3.15Å; P665-V715 HydrophobicContact CG-CG1 4.27Å
666	P	97.5	Very high	83.5	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.032	22%	0.222	C	C	.	.			trans	-68.9	167	173.2	28.7	-32.2	0	0	0	112.2	I586 Y613 V616	I586-P666 HydrophobicContact CB-CB 4.13Å; I586-P666 CarbonylContact O-C 3.58Å; I586-P666 WeakPolarHBondContact O-CA 3.43Å; I586-P666 WeakPolarHBondContact O-CB 3.45Å; Y613-P666 HydrophobicContact CD2-CG 4.31Å; Y613-P666 HydrophobicContact CE2-CG 4.02Å; Y613-P666 WeakPolarHBondContact CE2-O 3.29Å; Y613-P666 PolarHBondContact OH-O 3.4Å; V616-P666 HydrophobicContact CB-CB 4.04Å; V616-P666 HydrophobicContact CB-CG 4.41Å; V616-P666 HydrophobicContact CG2-CB 3.76Å; V616-P666 HydrophobicContact CG2-CG 4.01Å
667	I	97.3	Very high	80.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.8	177.9	-56.9	-59.4	0	0	0	110.5	V578 F582 I586 V587 G588 M719 L721	V578-I667 HydrophobicContact CG1-CG2 3.88Å; F582-I667 HydrophobicContact CB-CG1 4.28Å; F582-I667 HydrophobicContact CD2-CG1 4.06Å; F582-I667 HydrophobicContact CG-CG1 4.13Å; I586-I667 PolarHBondContact O-N 3.21Å; V587-I667 WeakPolarHBondContact CA-O 3.31Å; V587-I667 HydrophobicContact CG1-CB 4.43Å; V587-I667 HydrophobicContact CG1-CG2 4.41Å; V587-I667 HydrophobicContact CG2-CB 4.02Å; V587-I667 HydrophobicContact CG2-CG1 4.4Å; G588-I667 PolarHBondContact N-O 3.38Å; G588-I667 VanDerWaalsContact N-O 3.08Å; I667-M719 HydrophobicContact CD1-CE 4.24Å; I667-M719 HydrophobicContact CD1-CG 4.41Å; I667-M719 HydrophobicContact CD1-SD 3.73Å; I667-L721 HydrophobicContact CG2-CD1 4.01Å; I667-L721 HydrophobicContact CG2-CG 4.42Å
668	K	95.1	Very high	78.1	Confident	26 Å²	26	59 Å²	59	11%	0.113	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.8	176	-178.2	-177.8	-178.5	176.6	0	111.2	A591 Y613 R720 L721	A591-K668 HydrophobicContact CB-CD 3.72Å; A591-K668 HydrophobicContact CB-CG 4.14Å; Y613-K668 HydrophobicContact CD1-CB 4.45Å; Y613-K668 HydrophobicContact CD1-CD 4.27Å; Y613-K668 HydrophobicContact CE1-CB 3.86Å; Y613-K668 HydrophobicContact CE1-CD 4.33Å; Y613-K668 HydrophobicContact CE2-CB 4.07Å; Y613-K668 PolarHBondContact OH-N 3.23Å; K668-R720 WeakPolarHBondContact O-CA 3.27Å; K668-L721 PolarHBondContact O-N 3.05Å
669	V	93.1	Very high	75.3	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	156.3	167.4	-65.4	0	0	0	0	111	F574 A575 V578 V587 G588 Y589 L721	F574-V669 HydrophobicContact CD1-CB 4.41Å; F574-V669 HydrophobicContact CD1-CG1 4.35Å; F574-V669 HydrophobicContact CE1-CB 4.07Å; F574-V669 HydrophobicContact CE1-CG1 3.83Å; A575-V669 HydrophobicContact CB-CG2 4.15Å; V578-V669 HydrophobicContact CB-CG1 4.21Å; V578-V669 HydrophobicContact CG1-CG1 4.09Å; V578-V669 HydrophobicContact CG2-CG1 4.06Å; V587-V669 HydrophobicContact CG1-CG1 3.88Å; G588-V669 WeakPolarHBondContact O-CG2 3.32Å; G588-V669 PolarHBondContact O-N 2.71Å; Y589-V669 HydrophobicContact CD1-CG2 3.71Å; Y589-V669 HydrophobicContact CD2-CG2 4.49Å; Y589-V669 HydrophobicContact CE1-CG2 3.72Å; Y589-V669 HydrophobicContact CE2-CG2 4.48Å; Y589-V669 HydrophobicContact CG-CG2 4.12Å; V669-L721 WeakPolarHBondContact CA-O 3.19Å; V669-L721 HydrophobicContact CG1-CB 4.44Å
670	T	83.1	Confident	72.5	Confident	30 Å²	30	71 Å²	71	18%	0.184	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-91.5	142.6	178.4	48.6	0	0	0	0	114.6	R720 D722	T670-R720 HydrophobicContact CG2-CG 4.39Å; T670-D722 WeakPolarHBondContact CG2-OD1 3.43Å; T670-D722 PolarHBondContact OG1-OD1 3.44Å; T670-D722 VanDerWaalsContact OG1-OD1 3.05Å
671	Q	74.8	Confident	69.8	Low	50 Å²	50	73.6 Å²	73.6	23%	0.234	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-89.5	138.9	159.7	-164.1	-178.3	7.7	0	0	109.2	V566 L567 E571 Y589 K673	V566-Q671 PolarHBondContact O-NE2 2.91Å; L567-Q671 HydrophobicContact CD2-CG 4.06Å; E571-Q671 VanDerWaalsContact OE1-CA 3.22Å; E571-Q671 WeakPolarHBondContact OE1-CA 3.43Å; E571-Q671 VanDerWaalsContact OE1-CG 3.28Å; E571-Q671 WeakPolarHBondContact OE1-CG 3.35Å; Y589-Q671 HydrophobicContact CD1-CB 4.09Å; Q671-K673 PolarHBondContact O-N 3.26Å
672	K	67.3	Low	67.1	Low	139 Å²	139	80 Å²	80	60%	0.604	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-55.9	134.4	166.5	-74.6	-179.4	176.2	172.8	0	108.1	E571 Q674	E571-K672 PolarHBondContact OE1-N 3.04Å; K672-Q674 PolarHBondContact O-N 3.12Å
673	K	55.1	Low	64.4	Low	214 Å²	214	85.2 Å²	85.2	93%	0.93	43%	0.429	S	S	*	.	S	Bend	trans	-48.7	90.3	-172.1	-88.5	-178.4	170.6	176.6	0	112.8	Q671	Q671-K673 PolarHBondContact O-N 3.26Å
674	Q	48.2	Very low	61.9	Low	117 Å²	117	86.8 Å²	86.8	55%	0.547	45%	0.449	S	S	.	.			trans	-145	-1.8	166.5	-89.8	-169.5	-20.9	0	0	114.6	K672 K676	K672-Q674 PolarHBondContact O-N 3.12Å; Q674-K676 PolarHBondContact O-N 3.25Å; Q674-K676 VanDerWaalsContact O-N 3.13Å
675	Y	44.2	Very low	59.5	Low	82 Å²	82	94.9 Å²	94.9	32%	0.322	48%	0.476	S	S	.	.	H	α-helix	trans	-65.9	-18.2	-180	-160.4	-96.8	0	0	0	114.1	W609	W609-Y675 HydrophobicContact CH2-CD1 4.19Å; W609-Y675 HydrophobicContact CZ2-CD1 4.13Å; W609-Y675 HydrophobicContact CZ2-CE1 4.39Å
676	K	40.5	Very low	56.8	Low	177 Å²	177	98.4 Å²	98.4	77%	0.77	51%	0.506	S	S	*	.	H	α-helix	trans	-83.7	-31.4	-177.2	-98.6	-169.4	173.6	-171.7	0	115.1	Q674	Q674-K676 PolarHBondContact O-N 3.25Å; Q674-K676 VanDerWaalsContact O-N 3.13Å
677	E	39	Very low	54.7	Low	152 Å²	152	100.1 Å²	100.1	71%	0.71	52%	0.518	S	S	*	.	H	α-helix	trans	-81.8	-33.1	-173.7	-78.8	178.9	166.2	0	0	112.6	M679 M680 G681	E677-M679 PolarHBondContact O-N 3Å; E677-M680 PolarHBondContact O-N 2.89Å; E677-G681 PolarHBondContact O-N 3.12Å
678	T	42.2	Very low	52.8	Low	68 Å²	68	107.8 Å²	107.8	42%	0.417	55%	0.547	S	S	.	.	H	α-helix	trans	-71.8	-28.5	-176.4	-29	0	0	0	0	113.3
679	M	40.7	Very low	50.9	Low	84 Å²	84	109.5 Å²	109.5	41%	0.414	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-19	179.3	-72.3	-75.8	161.3	0	0	113.4	E677	E677-M679 PolarHBondContact O-N 3Å
680	M	36.9	Very low	49.2	Very low	175 Å²	175	112.9 Å²	112.9	86%	0.862	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-11.3	179.6	-65.2	-175.3	72.6	0	0	113.3	E677	E677-M680 PolarHBondContact O-N 2.89Å
681	G	37.6	Very low	48.5	Very low	59 Å²	59	114.9 Å²	114.9	61%	0.608	59%	0.59	S	S	*	*	S	Bend	trans	-101	-5.9	-174.8	0	0	0	0	0	116.7	E677 S683	E677-G681 PolarHBondContact O-N 3.12Å; G681-S683 PolarHBondContact O-N 3.42Å
682	Q	38.8	Very low	48.4	Very low	137 Å²	137	117.2 Å²	117.2	64%	0.64	61%	0.61	S	S	*	*			trans	-97.5	90.2	-179.4	-73.2	-167.8	-11	0	0	112	S684	Q682-S684 PolarHBondContact O-N 2.78Å; Q682-S684 VanDerWaalsContact O-N 3.1Å
683	S	37.6	Very low	49	Very low	125 Å²	125	115.7 Å²	115.7	87%	0.874	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	41	175.6	58.5	0	0	0	0	114.2	G681	G681-S683 PolarHBondContact O-N 3.42Å
684	S	40	Very low	50.3	Low	104 Å²	104	106.5 Å²	106.5	73%	0.727	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.5	7.1	179.8	63.5	0	0	0	0	119.3	Q682	Q682-S684 PolarHBondContact O-N 2.78Å; Q682-S684 VanDerWaalsContact O-N 3.1Å
685	R	43.4	Very low	52	Low	227 Å²	227	104.2 Å²	104.2	86%	0.857	56%	0.557	S	S	*	*	S	Bend	trans	-166.2	131.7	157.5	-109	166.3	-171.3	-179.3	1.4	108	S687	R685-S687 PolarHBondContact O-N 3.48Å; R685-S687 VanDerWaalsContact O-N 3.11Å
686	A	41.1	Very low	54.1	Low	94 Å²	94	102.8 Å²	102.8	78%	0.777	56%	0.563	S	S	*	*			trans	-52	122.7	172.3	0	0	0	0	0	108.6	R688	A686-R688 PolarHBondContact O-N 2.78Å
687	S	52.7	Low	56.5	Low	41 Å²	41	97.6 Å²	97.6	29%	0.287	54%	0.541	S	S	.	.			trans	-51.6	133.1	174.3	175	0	0	0	0	108.4	R685 W689 A690	R685-S687 PolarHBondContact O-N 3.48Å; R685-S687 VanDerWaalsContact O-N 3.11Å; S687-W689 PolarHBondContact O-N 3.32Å; S687-W689 PolarHBondContact OG-N 3.3Å; S687-A690 WeakPolarHBondContact O-CB 3.49Å; S687-A690 PolarHBondContact O-N 3.28Å
688	R	57.3	Low	59.1	Low	162 Å²	162	90.6 Å²	90.6	61%	0.611	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-53	-25.6	175.8	-67.1	-171.8	-165.1	-171.6	5.3	111.8	A686 A690 D691 H694	A686-R688 PolarHBondContact O-N 2.78Å; R688-A690 VanDerWaalsContact C-N 3.33Å; R688-D691 WeakPolarHBondContact O-CB 3.4Å; R688-H694 WeakPolarHBondContact O-CB 3.04Å
689	W	56	Low	61.5	Low	62 Å²	62	88.6 Å²	88.6	24%	0.235	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-75.5	-14.4	176.9	-59.7	94.9	0	0	0	114.7	L617 S687 H694 F695 R698	L617-W689 HydrophobicContact CD1-CH2 3.65Å; L617-W689 HydrophobicContact CD1-CZ3 3.85Å; S687-W689 PolarHBondContact O-N 3.32Å; S687-W689 PolarHBondContact OG-N 3.3Å; W689-H694 AromaticContact CE3-CE1 3.52Å; W689-H694 AromaticContact CZ3-CE1 3.73Å; W689-F695 VanDerWaalsContact O-CE2 3.25Å; W689-F695 WeakPolarHBondContact O-CE2 3.16Å; W689-R698 VanDerWaalsContact CH2-NH2 3.28Å
690	A	56	Low	64	Low	71 Å²	71	87.6 Å²	87.6	59%	0.587	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-94.6	-4.9	177.1	0	0	0	0	0	112.9	S687 R688 P692	S687-A690 WeakPolarHBondContact O-CB 3.49Å; S687-A690 PolarHBondContact O-N 3.28Å; R688-A690 VanDerWaalsContact C-N 3.33Å; A690-P692 WeakPolarHBondContact O-CD 3.43Å
691	D	68.4	Low	66.7	Low	72 Å²	72	79.3 Å²	79.3	39%	0.385	45%	0.452	S	S	.	.			trans	-73	121.8	177.4	-174	-8.6	0	0	0	110.9	R688 D693 H694	R688-D691 WeakPolarHBondContact O-CB 3.4Å; D691-D693 PolarHBondContact O-N 3.34Å; D691-D693 WeakPolarHBondContact OD1-CB 3.43Å; D691-D693 PolarHBondContact OD1-N 3.01Å; D691-H694 HydrophobicContact CB-CB 3.94Å; D691-H694 WeakPolarHBondContact O-CB 3.28Å; D691-H694 PolarHBondContact O-N 2.75Å
692	P	74.2	Confident	69.5	Low	100 Å²	100	76.5 Å²	76.5	65%	0.649	42%	0.423	S	S	*	.	H	α-helix	trans	-55.7	-35.2	173.7	-25.1	35.3	0	0	0	113.4	A690 H694 F695 A696	A690-P692 WeakPolarHBondContact O-CD 3.43Å; P692-H694 VanDerWaalsContact C-N 3.31Å; P692-H694 PolarHBondContact O-N 2.93Å; P692-F695 PolarHBondContact O-N 3.24Å; P692-A696 PolarHBondContact O-N 3.12Å; P692-A696 VanDerWaalsContact O-N 3.13Å
693	D	79.1	Confident	72.1	Confident	106 Å²	106	72 Å²	72	57%	0.567	40%	0.403	S	S	*	.	H	α-helix	trans	-68.3	-34.9	-179.7	-71.9	-17.9	0	0	0	111	D691 F695 A696 Q697	D691-D693 PolarHBondContact O-N 3.34Å; D691-D693 WeakPolarHBondContact OD1-CB 3.43Å; D691-D693 PolarHBondContact OD1-N 3.01Å; D693-F695 VanDerWaalsContact C-N 3.32Å; D693-F695 PolarHBondContact O-N 2.74Å; D693-A696 PolarHBondContact O-N 3.34Å; D693-Q697 WeakPolarHBondContact O-CB 3.31Å; D693-Q697 VanDerWaalsContact O-CG 3.23Å; D693-Q697 WeakPolarHBondContact O-CG 2.97Å; D693-Q697 PolarHBondContact O-N 2.61Å
694	H	82.6	Confident	74.9	Confident	22 Å²	22	70.5 Å²	70.5	10%	0.102	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-39.9	175	175.5	-88.5	0	0	0	112.1	N648 R688 W689 D691 P692 R698	N648-H694 PolarHBondContact ND2-CD2 3.2Å; N648-H694 PolarHBondContact ND2-NE2 3.48Å; N648-H694 PolarHBondContact ND2-O 2.92Å; N648-H694 PolarHBondContact OD1-NE2 3.28Å; R688-H694 WeakPolarHBondContact O-CB 3.04Å; W689-H694 AromaticContact CE3-CE1 3.52Å; W689-H694 AromaticContact CZ3-CE1 3.73Å; D691-H694 HydrophobicContact CB-CB 3.94Å; D691-H694 WeakPolarHBondContact O-CB 3.28Å; D691-H694 PolarHBondContact O-N 2.75Å; P692-H694 VanDerWaalsContact C-N 3.31Å; P692-H694 PolarHBondContact O-N 2.93Å; H694-R698 PolarHBondContact CE1-NE 3.39Å; H694-R698 PolarHBondContact NE2-NE 3.29Å; H694-R698 WeakPolarHBondContact O-CG 3.05Å; H694-R698 PolarHBondContact O-N 3.12Å
695	F	84.6	Confident	77.5	Confident	68 Å²	68	65.5 Å²	65.5	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-69.5	-41.5	174.6	-86.5	-85.2	0	0	0	112.6	Y605 S607 W689 P692 D693 Q697 R698 Q699	Y605-F695 AromaticContact CD1-CD1 3.88Å; Y605-F695 HydrophobicContact CD1-CD1 3.88Å; Y605-F695 HydrophobicContact CD1-CE1 4.07Å; Y605-F695 AromaticContact CE1-CD1 3.89Å; Y605-F695 HydrophobicContact CE1-CD1 3.89Å; Y605-F695 AromaticContact CE1-CE1 3.68Å; Y605-F695 HydrophobicContact CE1-CE1 3.68Å; S607-F695 VanDerWaalsContact OG-CE1 3.29Å; S607-F695 WeakPolarHBondContact OG-CE1 3.45Å; S607-F695 WeakPolarHBondContact OG-CZ 3.44Å; W689-F695 VanDerWaalsContact O-CE2 3.25Å; W689-F695 WeakPolarHBondContact O-CE2 3.16Å; P692-F695 PolarHBondContact O-N 3.24Å; D693-F695 VanDerWaalsContact C-N 3.32Å; D693-F695 PolarHBondContact O-N 2.74Å; F695-Q697 VanDerWaalsContact C-N 3.32Å; F695-Q697 PolarHBondContact O-N 3.46Å; F695-R698 PolarHBondContact O-N 3.31Å; F695-Q699 WeakPolarHBondContact O-CB 3.37Å; F695-Q699 PolarHBondContact O-N 3.14Å
696	A	87.2	Confident	80	Confident	53 Å²	53	55 Å²	55	44%	0.438	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-35.4	177.3	0	0	0	0	0	112.4	P692 D693 Q699 T700	P692-A696 PolarHBondContact O-N 3.12Å; P692-A696 VanDerWaalsContact O-N 3.13Å; D693-A696 PolarHBondContact O-N 3.34Å; A696-Q699 WeakPolarHBondContact O-CB 3.34Å; A696-T700 PolarHBondContact O-N 2.8Å; A696-T700 VanDerWaalsContact O-N 3.09Å; A696-T700 PolarHBondContact O-OG1 2.9Å
697	Q	91.6	Very high	82.4	Confident	68 Å²	68	56.8 Å²	56.8	32%	0.318	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-49	172.8	-74.1	171.7	5.7	0	0	111.4	N648 D693 F695 Q699 T700 C701	N648-Q697 PolarHBondContact ND2-OE1 2.77Å; N648-Q697 VanDerWaalsContact ND2-OE1 3.15Å; D693-Q697 WeakPolarHBondContact O-CB 3.31Å; D693-Q697 VanDerWaalsContact O-CG 3.23Å; D693-Q697 WeakPolarHBondContact O-CG 2.97Å; D693-Q697 PolarHBondContact O-N 2.61Å; F695-Q697 VanDerWaalsContact C-N 3.32Å; F695-Q697 PolarHBondContact O-N 3.46Å; Q697-Q699 VanDerWaalsContact C-N 3.28Å; Q697-Q699 PolarHBondContact O-N 3.35Å; Q697-T700 CarbonylContact O-C 3.58Å; Q697-T700 WeakPolarHBondContact O-CA 3.14Å; Q697-T700 WeakPolarHBondContact O-CB 3.31Å; Q697-T700 PolarHBondContact O-N 2.97Å; Q697-C701 PolarHBondContact O-N 3.31Å; Q697-C701 PolarHBondContact O-SG 3.33Å
698	R	93.5	Very high	84.3	Confident	5 Å²	5	58.1 Å²	58.1	2%	0.019	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-39	177.9	-75.2	-174	172	-122.4	-4.1	113	Y605 N648 D651 I652 W689 H694 F695 T700 C701 M702	Y605-R698 HydrophobicContact CD1-CB 4.12Å; Y605-R698 HydrophobicContact CE1-CB 4.46Å; Y605-R698 HydrophobicContact CG-CB 4.15Å; Y605-R698 PolarHBondContact OH-NH1 3.42Å; N648-R698 PolarHBondContact OD1-NE 3.17Å; N648-R698 PolarHBondContact OD1-NH2 3.05Å; D651-R698 IonicContact OD1-CZ 3.24Å; D651-R698 IonicContact OD1-NH1 2.76Å; D651-R698 PolarHBondContact OD1-NH1 2.87Å; D651-R698 IonicContact OD1-NH2 3.15Å; D651-R698 PolarHBondContact OD1-NH2 3.49Å; D651-R698 IonicContact OD2-CZ 3.54Å; D651-R698 VanDerWaalsContact OD2-CZ 3.24Å; D651-R698 IonicContact OD2-NH1 3.71Å; D651-R698 PolarHBondContact OD2-NH1 2.98Å; D651-R698 IonicContact OD2-NH2 2.93Å; D651-R698 PolarHBondContact OD2-NH2 3.08Å; I652-R698 HydrophobicContact CD1-CB 3.76Å; I652-R698 HydrophobicContact CD1-CG 3.76Å; W689-R698 VanDerWaalsContact CH2-NH2 3.28Å; H694-R698 PolarHBondContact CE1-NE 3.39Å; H694-R698 PolarHBondContact NE2-NE 3.29Å; H694-R698 WeakPolarHBondContact O-CG 3.05Å; H694-R698 PolarHBondContact O-N 3.12Å; F695-R698 PolarHBondContact O-N 3.31Å; R698-T700 VanDerWaalsContact C-N 3.32Å; R698-T700 PolarHBondContact O-N 2.89Å; R698-C701 PolarHBondContact O-N 3.01Å; R698-M702 PolarHBondContact O-N 3.12Å
699	Q	91.6	Very high	85.9	Confident	25 Å²	25	51.7 Å²	51.7	12%	0.117	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-44.4	170.9	-179.5	70.1	24.7	0	0	112	W603 F695 A696 Q697 N703	W603-Q699 VanDerWaalsContact O-CD 3.3Å; W603-Q699 PolarHBondContact O-NE2 3.5Å; F695-Q699 WeakPolarHBondContact O-CB 3.37Å; F695-Q699 PolarHBondContact O-N 3.14Å; A696-Q699 WeakPolarHBondContact O-CB 3.34Å; Q697-Q699 VanDerWaalsContact C-N 3.28Å; Q697-Q699 PolarHBondContact O-N 3.35Å; Q699-N703 PolarHBondContact O-N 3.16Å; Q699-N703 PolarHBondContact O-ND2 2.93Å
700	T	93.4	Very high	87.5	Confident	63 Å²	63	50.1 Å²	50.1	39%	0.387	28%	0.283	S	S	.	.	H	α-helix	trans	-67.4	-44.9	179.4	-59.5	0	0	0	0	111.6	A696 Q697 R698 M702 N703 K704	A696-T700 PolarHBondContact O-N 2.8Å; A696-T700 VanDerWaalsContact O-N 3.09Å; A696-T700 PolarHBondContact O-OG1 2.9Å; Q697-T700 CarbonylContact O-C 3.58Å; Q697-T700 WeakPolarHBondContact O-CA 3.14Å; Q697-T700 WeakPolarHBondContact O-CB 3.31Å; Q697-T700 PolarHBondContact O-N 2.97Å; R698-T700 VanDerWaalsContact C-N 3.32Å; R698-T700 PolarHBondContact O-N 2.89Å; T700-M702 VanDerWaalsContact C-N 3.33Å; T700-M702 PolarHBondContact O-N 3.24Å; T700-N703 PolarHBondContact O-N 3.46Å; T700-K704 HydrophobicContact CG2-CD 4.42Å; T700-K704 PolarHBondContact O-N 2.79Å
701	C	95.1	Very high	89.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-55.2	-47.9	175.1	-64.3	0	0	0	0	111.7	M646 C649 Q697 R698 N703 K704 F705	M646-C701 VanDerWaalsContact SD-SG 3.7Å; C649-C701 HydrophobicContact CB-CB 3.44Å; C649-C701 VanDerWaalsContact CB-CB 3.44Å; C649-C701 WeakPolarHBondContact CB-SG 3.41Å; C649-C701 WeakPolarHBondContact SG-CB 3.43Å; C649-C701 CovalentContact SG-SG 2.03Å; C649-C701 PolarHBondContact SG-SG 3.1Å; Q697-C701 PolarHBondContact O-N 3.31Å; Q697-C701 PolarHBondContact O-SG 3.33Å; R698-C701 PolarHBondContact O-N 3.01Å; C701-N703 VanDerWaalsContact C-N 3.31Å; C701-N703 PolarHBondContact O-N 3.13Å; C701-K704 PolarHBondContact O-N 3.13Å; C701-F705 HydrophobicContact CB-CD2 4.37Å; C701-F705 HydrophobicContact CB-CE2 3.76Å; C701-F705 HydrophobicContact CB-CZ 3.84Å; C701-F705 WeakPolarHBondContact O-CB 3.39Å; C701-F705 WeakPolarHBondContact O-CD1 3.24Å; C701-F705 WeakPolarHBondContact O-CD2 3.37Å; C701-F705 WeakPolarHBondContact O-CG 3.42Å; C701-F705 PolarHBondContact O-N 2.7Å
702	M	94.4	Very high	90.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.7	-43.4	-178.5	-171.6	171	-71.6	0	0	112.8	H594 W603 Y605 M615 F656 R698 T700 A706 M712	H594-M702 HydrophobicContact CB-CE 3.75Å; H594-M702 HydrophobicContact CB-SD 3.55Å; H594-M702 VanDerWaalsContact CB-SD 3.55Å; W603-M702 HydrophobicContact CB-CG 3.94Å; W603-M702 HydrophobicContact CB-SD 3.99Å; Y605-M702 HydrophobicContact CD2-CE 3.85Å; Y605-M702 HydrophobicContact CG-CE 4.33Å; M615-M702 HydrophobicContact CE-CE 3.7Å; M615-M702 HydrophobicContact SD-CE 4.33Å; F656-M702 HydrophobicContact CE2-CG 4.21Å; F656-M702 HydrophobicContact CZ-CG 3.9Å; R698-M702 PolarHBondContact O-N 3.12Å; T700-M702 VanDerWaalsContact C-N 3.33Å; T700-M702 PolarHBondContact O-N 3.24Å; M702-A706 VanDerWaalsContact O-CB 3.29Å; M702-A706 WeakPolarHBondContact O-CB 3.09Å; M702-A706 PolarHBondContact O-N 3.13Å; M702-M712 HydrophobicContact CG-CE 3.96Å; M702-M712 HydrophobicContact SD-CE 4.42Å
703	N	94.9	Very high	91.4	Very high	42 Å²	42	42.3 Å²	42.3	23%	0.225	23%	0.228	C	C	.	.	H	α-helix	trans	-71.5	-40.4	178.8	-73.1	-77.4	0	0	0	111.9	R602 W603 Q699 T700 C701 F705 A706 N707	R602-N703 WeakPolarHBondContact CB-OD1 3.41Å; W603-N703 PolarHBondContact N-OD1 3.11Å; W603-N703 PolarHBondContact O-ND2 2.92Å; Q699-N703 PolarHBondContact O-N 3.16Å; Q699-N703 PolarHBondContact O-ND2 2.93Å; T700-N703 PolarHBondContact O-N 3.46Å; C701-N703 VanDerWaalsContact C-N 3.31Å; C701-N703 PolarHBondContact O-N 3.13Å; N703-F705 PolarHBondContact O-N 3.34Å; N703-A706 PolarHBondContact O-N 2.05Å; N703-N707 WeakPolarHBondContact O-CB 3.34Å; N703-N707 PolarHBondContact O-N 2.91Å
704	K	95.2	Very high	92.2	Very high	94 Å²	94	37.5 Å²	37.5	41%	0.409	20%	0.202	S	C	.	.	H	α-helix	trans	-63.2	-41.2	175.6	-73.6	-169.2	174	-169.8	0	112.1	M642 T700 C701 W708	M642-K704 HydrophobicContact CE-CD 3.51Å; M642-K704 HydrophobicContact SD-CB 4.27Å; M642-K704 HydrophobicContact SD-CD 3.3Å; M642-K704 WeakPolarHBondContact SD-CD 3.41Å; M642-K704 HydrophobicContact SD-CG 4.43Å; T700-K704 HydrophobicContact CG2-CD 4.42Å; T700-K704 PolarHBondContact O-N 2.79Å; C701-K704 PolarHBondContact O-N 3.13Å; K704-W708 PolarHBondContact O-N 3.19Å; K704-W708 VanDerWaalsContact O-N 3.09Å
705	F	95.8	Very high	92.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-48	176.8	-57.4	-20.5	0	0	0	111.1	L639 V643 C649 I652 L653 F656 C701 N703 N707 W708 F709	L639-F705 HydrophobicContact CD1-CD1 4.47Å; L639-F705 HydrophobicContact CD2-CD1 3.94Å; L639-F705 HydrophobicContact CD2-CE1 4.18Å; V643-F705 HydrophobicContact CG2-CE1 4.34Å; V643-F705 HydrophobicContact CG2-CZ 3.78Å; C649-F705 HydrophobicContact CB-CE2 4.08Å; C649-F705 HydrophobicContact CB-CZ 4.07Å; I652-F705 HydrophobicContact CB-CE2 4.19Å; I652-F705 HydrophobicContact CG2-CD2 3.87Å; I652-F705 HydrophobicContact CG2-CE2 3.95Å; L653-F705 HydrophobicContact CB-CD2 4.26Å; L653-F705 HydrophobicContact CB-CE2 3.66Å; L653-F705 HydrophobicContact CB-CZ 3.83Å; L653-F705 HydrophobicContact CD1-CD1 4.01Å; L653-F705 HydrophobicContact CD1-CD2 4.16Å; L653-F705 HydrophobicContact CD1-CE1 4.1Å; L653-F705 HydrophobicContact CD1-CE2 4.23Å; L653-F705 HydrophobicContact CD1-CG 4.06Å; L653-F705 HydrophobicContact CD1-CZ 4.22Å; L653-F705 HydrophobicContact CD2-CE1 4.36Å; L653-F705 HydrophobicContact CD2-CZ 4.29Å; L653-F705 HydrophobicContact CG-CE2 4.45Å; L653-F705 HydrophobicContact CG-CZ 4.34Å; F656-F705 HydrophobicContact CD1-CB 3.64Å; F656-F705 HydrophobicContact CD2-CD2 4.42Å; F656-F705 HydrophobicContact CE1-CB 3.63Å; F656-F705 HydrophobicContact CG-CB 4.16Å; F656-F705 HydrophobicContact CZ-CB 4.11Å; C701-F705 HydrophobicContact CB-CD2 4.37Å; C701-F705 HydrophobicContact CB-CE2 3.76Å; C701-F705 HydrophobicContact CB-CZ 3.84Å; C701-F705 WeakPolarHBondContact O-CB 3.39Å; C701-F705 WeakPolarHBondContact O-CD1 3.24Å; C701-F705 WeakPolarHBondContact O-CD2 3.37Å; C701-F705 WeakPolarHBondContact O-CG 3.42Å; C701-F705 PolarHBondContact O-N 2.7Å; N703-F705 PolarHBondContact O-N 3.34Å; F705-N707 PolarHBondContact O-N 2.81Å; F705-W708 PolarHBondContact O-N 2.87Å; F705-F709 VanDerWaalsContact O-CD2 3.31Å; F705-F709 WeakPolarHBondContact O-CD2 3.26Å; F705-F709 PolarHBondContact O-N 3.47Å
706	A	94.6	Very high	93.3	Very high	7 Å²	7	38.3 Å²	38.3	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-57.8	-38.8	177.3	0	0	0	0	0	112.2	F656 M702 N703 G710 T711 M712	F656-A706 HydrophobicContact CE1-CB 4.12Å; M702-A706 VanDerWaalsContact O-CB 3.29Å; M702-A706 WeakPolarHBondContact O-CB 3.09Å; M702-A706 PolarHBondContact O-N 3.13Å; N703-A706 PolarHBondContact O-N 2.05Å; A706-G710 CarbonylContact O-C 3.58Å; A706-G710 WeakPolarHBondContact O-CA 3.5Å; A706-G710 PolarHBondContact O-N 2.92Å; A706-T711 PolarHBondContact O-N 3.27Å; A706-T711 VanDerWaalsContact O-N 3.16Å; A706-M712 HydrophobicContact CB-CE 3.93Å
707	N	92.6	Very high	93.7	Very high	131 Å²	131	36.5 Å²	36.5	70%	0.701	19%	0.193	S	C	*	.	H	α-helix	trans	-64.8	-42.3	174.9	-174.6	59	0	0	0	112.5	N703 F705 G710	N703-N707 WeakPolarHBondContact O-CB 3.34Å; N703-N707 PolarHBondContact O-N 2.91Å; F705-N707 PolarHBondContact O-N 2.81Å; N707-G710 PolarHBondContact O-N 2.79Å
708	W	91.7	Very high	93.8	Very high	69 Å²	69	40.1 Å²	40.1	26%	0.261	21%	0.21	S	C	.	.	H	α-helix	trans	-67.3	-46.1	177.6	-178.3	77.8	0	0	0	112.4	Y634 L635 P636 L639 K704 F705 G710	Y634-W708 HydrophobicContact CE1-CH2 4.2Å; L635-W708 HydrophobicContact CD2-CH2 4.15Å; L635-W708 HydrophobicContact CD2-CZ3 3.86Å; P636-W708 HydrophobicContact CG-CD2 4.27Å; P636-W708 HydrophobicContact CG-CZ2 3.81Å; L639-W708 HydrophobicContact CD1-CB 4Å; L639-W708 HydrophobicContact CD1-CD2 3.55Å; L639-W708 HydrophobicContact CD1-CE3 3.62Å; L639-W708 HydrophobicContact CD1-CG 3.68Å; L639-W708 HydrophobicContact CD1-CZ3 4.38Å; L639-W708 HydrophobicContact CD2-CB 4.46Å; L639-W708 HydrophobicContact CG-CG 4.34Å; K704-W708 PolarHBondContact O-N 3.19Å; K704-W708 VanDerWaalsContact O-N 3.09Å; F705-W708 PolarHBondContact O-N 2.87Å; W708-G710 PolarHBondContact O-N 3.03Å
709	F	91.1	Very high	93.7	Very high	27 Å²	27	43.2 Å²	43.2	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-67.9	-11.6	174	-78.2	-82.1	0	0	0	112.9	L635 L653 F656 S660 F705 T711 P713	L635-F709 HydrophobicContact CD2-CZ 4.06Å; L653-F709 HydrophobicContact CD1-CE2 4.38Å; F656-F709 HydrophobicContact CB-CD2 4.35Å; F656-F709 HydrophobicContact CB-CE2 3.75Å; F656-F709 HydrophobicContact CB-CZ 4.23Å; F656-F709 AromaticContact CD1-CD2 3.73Å; F656-F709 HydrophobicContact CD1-CD2 3.73Å; F656-F709 AromaticContact CD1-CE2 3.98Å; F656-F709 HydrophobicContact CD1-CE2 3.98Å; F656-F709 HydrophobicContact CG-CE2 4.36Å; S660-F709 WeakPolarHBondContact OG-CE1 3.41Å; F705-F709 VanDerWaalsContact O-CD2 3.31Å; F705-F709 WeakPolarHBondContact O-CD2 3.26Å; F705-F709 PolarHBondContact O-N 3.47Å; F709-T711 PolarHBondContact O-N 3.1Å; F709-T711 VanDerWaalsContact O-N 3.14Å; F709-P713 HydrophobicContact CG-CG 4.44Å
710	G	89.9	Confident	93.6	Very high	28 Å²	28	48 Å²	48	29%	0.289	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-2.5	-175.8	0	0	0	0	0	114.9	A706 N707 W708	A706-G710 CarbonylContact O-C 3.58Å; A706-G710 WeakPolarHBondContact O-CA 3.5Å; A706-G710 PolarHBondContact O-N 2.92Å; N707-G710 PolarHBondContact O-N 2.79Å; W708-G710 PolarHBondContact O-N 3.03Å
711	T	91	Very high	93.5	Very high	60 Å²	60	47.5 Å²	47.5	37%	0.368	24%	0.237	S	C	.	.	S	Bend	trans	-154.7	172.1	180	-166.8	0	0	0	0	109.9	A706 F709 P713	A706-T711 PolarHBondContact O-N 3.27Å; A706-T711 VanDerWaalsContact O-N 3.16Å; F709-T711 PolarHBondContact O-N 3.1Å; F709-T711 VanDerWaalsContact O-N 3.14Å; T711-P713 WeakPolarHBondContact O-CD 3.47Å
712	M	94.4	Very high	93.1	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.059	25%	0.254	C	S	.	.			trans	-86.7	105	168.2	-177.8	52.6	70.1	0	0	109.4	R245 H594 W603 F656 M702 A706 L714	R245-M712 PolarHBondContact NH2-O 2.83Å; H594-M712 VanDerWaalsContact NE2-CG 3.33Å; H594-M712 WeakPolarHBondContact NE2-CG 3.47Å; W603-M712 HydrophobicContact CB-CE 3.7Å; W603-M712 HydrophobicContact CD2-CB 4.41Å; W603-M712 HydrophobicContact CD2-CE 3.32Å; W603-M712 HydrophobicContact CD2-CG 4.38Å; W603-M712 HydrophobicContact CE3-CE 3.84Å; W603-M712 HydrophobicContact CE3-CG 4.4Å; W603-M712 HydrophobicContact CG-CE 3.23Å; W603-M712 HydrophobicContact CH2-CB 4.02Å; W603-M712 HydrophobicContact CH2-CG 4.23Å; W603-M712 HydrophobicContact CZ2-CB 3.61Å; W603-M712 HydrophobicContact CZ2-CG 4.21Å; W603-M712 HydrophobicContact CZ3-CG 4.32Å; F656-M712 HydrophobicContact CE1-CE 4.33Å; F656-M712 HydrophobicContact CE1-SD 3.93Å; F656-M712 HydrophobicContact CE2-SD 4.27Å; F656-M712 HydrophobicContact CZ-CE 3.79Å; F656-M712 HydrophobicContact CZ-SD 3.55Å; F656-M712 VanDerWaalsContact CZ-SD 3.55Å; M702-M712 HydrophobicContact CG-CE 3.96Å; M702-M712 HydrophobicContact SD-CE 4.42Å; A706-M712 HydrophobicContact CB-CE 3.93Å; M712-L714 HydrophobicContact CG-CB 4.35Å; M712-L714 HydrophobicContact SD-CB 3.89Å; M712-L714 HydrophobicContact SD-CD1 3.95Å; M712-L714 HydrophobicContact SD-CG 3.83Å
713	P	94.8	Very high	92.3	Very high	8 Å²	8	53.1 Å²	53.1	5%	0.052	27%	0.27	C	S	.	.			trans	-78.1	-21.7	-178.7	32.6	-36.6	0	0	0	112.7	F656 S659 F709 T711 V715	F656-P713 HydrophobicContact CB-CG 4.08Å; F656-P713 HydrophobicContact CD1-CG 3.34Å; F656-P713 HydrophobicContact CE1-CG 3.93Å; F656-P713 HydrophobicContact CG-CG 3.82Å; S659-P713 WeakPolarHBondContact CB-O 3.23Å; F709-P713 HydrophobicContact CG-CG 4.44Å; T711-P713 WeakPolarHBondContact O-CD 3.47Å; P713-V715 PolarHBondContact O-N 3.42Å
714	L	96.6	Very high	91	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	30%	0.299	C	S	.	.			trans	-59.5	136.9	-177.6	-63.1	-178	0	0	0	110.9	H594 M615 N655 F656 M712	H594-L714 HydrophobicContact CB-CD1 4.15Å; H594-L714 VanDerWaalsContact CE1-CB 3.47Å; H594-L714 WeakPolarHBondContact CE1-CB 3.31Å; M615-L714 HydrophobicContact CE-CD1 4.04Å; M615-L714 HydrophobicContact CG-CD1 3.74Å; M615-L714 HydrophobicContact CG-CD2 3.88Å; M615-L714 HydrophobicContact CG-CG 4.45Å; M615-L714 HydrophobicContact SD-CD1 3.66Å; N655-L714 HydrophobicContact CB-CD2 3.97Å; F656-L714 HydrophobicContact CD2-CD1 4Å; F656-L714 HydrophobicContact CD2-CD2 3.81Å; F656-L714 HydrophobicContact CD2-CG 3.85Å; F656-L714 HydrophobicContact CE2-CD1 3.51Å; F656-L714 HydrophobicContact CE2-CD2 4.2Å; F656-L714 HydrophobicContact CE2-CG 3.75Å; F656-L714 HydrophobicContact CG-CD2 4.45Å; F656-L714 HydrophobicContact CZ-CD1 4.21Å; F656-L714 HydrophobicContact CZ-CG 4.31Å; M712-L714 HydrophobicContact CG-CB 4.35Å; M712-L714 HydrophobicContact SD-CB 3.89Å; M712-L714 HydrophobicContact SD-CD1 3.95Å; M712-L714 HydrophobicContact SD-CG 3.83Å
715	V	95.1	Very high	89.3	Confident	30 Å²	30	58.1 Å²	58.1	18%	0.182	31%	0.305	C	S	.	.			trans	-116.3	134.9	179	-175.2	0	0	0	0	108.4	S614 P665 P713	S614-V715 WeakPolarHBondContact CA-O 3.22Å; P665-V715 HydrophobicContact CB-CB 4.07Å; P665-V715 HydrophobicContact CB-CG1 4.18Å; P665-V715 VanDerWaalsContact CB-O 3.3Å; P665-V715 WeakPolarHBondContact CB-O 3.15Å; P665-V715 HydrophobicContact CG-CG1 4.27Å; P713-V715 PolarHBondContact O-N 3.42Å
716	H	95	Very high	86.8	Confident	76 Å²	76	66.8 Å²	66.8	35%	0.352	34%	0.343	S	S	.	.			trans	-75.8	149.3	176.9	-77.6	-94.1	0	0	0	111.8	S593 H594 D612 Y613	S593-H716 PolarHBondContact OG-CE1 3.43Å; S593-H716 VanDerWaalsContact OG-CE1 3.26Å; H594-H716 AromaticContact CE1-CD2 3.46Å; H594-H716 PolarHBondContact CE1-CD2 2.86Å; H594-H716 VanDerWaalsContact CE1-CD2 3.46Å; H594-H716 AromaticContact CE1-CE1 3.95Å; H594-H716 AromaticContact CE1-NE2 3.09Å; H594-H716 PolarHBondContact CE1-NE2 3.49Å; H594-H716 AromaticContact ND1-CE1 3.98Å; H594-H716 AromaticContact ND1-NE2 3.51Å; H594-H716 AromaticContact NE2-NE2 3.6Å; H594-H716 PolarHBondContact O-CE1 3.17Å; D612-H716 VanDerWaalsContact CG-ND1 3.29Å; D612-H716 WeakPolarHBondContact OD1-CB 3.49Å; D612-H716 IonicContact OD1-CG 3.41Å; D612-H716 IonicContact OD1-ND1 3.71Å; D612-H716 PolarHBondContact OD1-ND1 2.79Å; D612-H716 VanDerWaalsContact OD1-ND1 3.14Å; D612-H716 IonicContact OD2-CE1 3.12Å; D612-H716 PolarHBondContact OD2-CE1 3.13Å; D612-H716 VanDerWaalsContact OD2-CE1 3.32Å; D612-H716 IonicContact OD2-CG 2.7Å; D612-H716 IonicContact OD2-ND1 3.02Å; D612-H716 PolarHBondContact OD2-ND1 3.36Å; Y613-H716 CarbonylContact O-C 3.51Å; Y613-H716 WeakPolarHBondContact O-CA 3.3Å
717	S	94.6	Very high	84.4	Confident	15 Å²	15	75.1 Å²	75.1	11%	0.105	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-147.9	151.2	174.3	173.7	0	0	0	0	110.1	Y613 M719	Y613-S717 WeakPolarHBondContact CD1-O 3.18Å; Y613-S717 VanDerWaalsContact CE1-O 3.26Å; Y613-S717 WeakPolarHBondContact CE1-O 3.37Å; Y613-S717 PolarHBondContact N-O 3.21Å; Y613-S717 PolarHBondContact O-N 2.98Å; Y613-S717 WeakPolarHBondContact OH-CB 3.48Å; Y613-S717 PolarHBondContact OH-OG 3.48Å; S717-M719 WeakPolarHBondContact OG-CB 3.43Å; S717-M719 PolarHBondContact OG-N 3.22Å
718	Q	93.9	Very high	82.5	Confident	145 Å²	145	73.4 Å²	73.4	68%	0.678	37%	0.369	S	S	*	.			trans	-116.2	4.8	168.9	-63	177.4	-20.6	0	0	111.7	N611 D612 R720	N611-Q718 WeakPolarHBondContact O-CA 3.33Å; D612-Q718 HydrophobicContact CB-CG 4.39Å; Q718-R720 PolarHBondContact O-N 2.98Å
719	M	91.9	Very high	80.5	Confident	70 Å²	70	75.7 Å²	75.7	35%	0.345	38%	0.382	S	S	.	.			trans	-69.6	127.7	-178.6	-176.8	169.5	174.3	0	0	110.7	F582 Y613 I667 S717 L721	F582-M719 HydrophobicContact CE2-CE 4.01Å; F582-M719 HydrophobicContact CZ-CE 3.72Å; Y613-M719 VanDerWaalsContact CE1-O 3.24Å; Y613-M719 WeakPolarHBondContact CE1-O 3.37Å; Y613-M719 PolarHBondContact OH-O 3.28Å; I667-M719 HydrophobicContact CD1-CE 4.24Å; I667-M719 HydrophobicContact CD1-CG 4.41Å; I667-M719 HydrophobicContact CD1-SD 3.73Å; S717-M719 WeakPolarHBondContact OG-CB 3.43Å; S717-M719 PolarHBondContact OG-N 3.22Å; M719-L721 HydrophobicContact CE-CD1 3.75Å; M719-L721 HydrophobicContact CE-CD2 3.95Å; M719-L721 HydrophobicContact CE-CG 3.91Å
720	R	90.2	Very high	78.8	Confident	126 Å²	126	77.1 Å²	77.1	48%	0.475	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.7	174.7	172	179.4	146	-176.5	-8.2	108.7	K668 T670 Q718 D722	K668-R720 WeakPolarHBondContact O-CA 3.27Å; T670-R720 HydrophobicContact CG2-CG 4.39Å; Q718-R720 PolarHBondContact O-N 2.98Å; R720-D722 WeakPolarHBondContact CG-OD1 3.32Å; R720-D722 IonicContact CZ-OD1 2.78Å; R720-D722 IonicContact CZ-OD2 3.17Å; R720-D722 VanDerWaalsContact CZ-OD2 3.26Å; R720-D722 VanDerWaalsContact NE-CG 3.33Å; R720-D722 IonicContact NE-OD1 3.81Å; R720-D722 PolarHBondContact NE-OD1 2.65Å; R720-D722 IonicContact NE-OD2 2.83Å; R720-D722 PolarHBondContact NE-OD2 3.1Å; R720-D722 IonicContact NH2-OD1 3.01Å; R720-D722 PolarHBondContact NH2-OD1 3.13Å; R720-D722 IonicContact NH2-OD2 3.87Å; R720-D722 PolarHBondContact NH2-OD2 2.95Å
721	L	91.4	Very high	77.2	Confident	51 Å²	51	80 Å²	80	27%	0.267	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.1	176.8	-66.1	177.7	0	0	0	109.8	F574 V578 F582 I667 K668 V669 M719	F574-L721 WeakPolarHBondContact CE1-O 3.42Å; F574-L721 HydrophobicContact CZ-CB 4.19Å; V578-L721 HydrophobicContact CB-CD1 4.46Å; V578-L721 HydrophobicContact CG1-CD1 3.52Å; V578-L721 HydrophobicContact CG2-CB 4.28Å; V578-L721 HydrophobicContact CG2-CD1 4.11Å; F582-L721 HydrophobicContact CE2-CD1 3.78Å; I667-L721 HydrophobicContact CG2-CD1 4.01Å; I667-L721 HydrophobicContact CG2-CG 4.42Å; K668-L721 PolarHBondContact O-N 3.05Å; V669-L721 WeakPolarHBondContact CA-O 3.19Å; V669-L721 HydrophobicContact CG1-CB 4.44Å; M719-L721 HydrophobicContact CE-CD1 3.75Å; M719-L721 HydrophobicContact CE-CD2 3.95Å; M719-L721 HydrophobicContact CE-CG 3.91Å
722	D	86.2	Confident	75.6	Confident	68 Å²	68	81.3 Å²	81.3	36%	0.364	41%	0.413	S	S	.	.			trans	-117	144.8	179.8	-61.6	-20	0	0	0	108.8	F574 T670 R720 V724	F574-D722 WeakPolarHBondContact CZ-O 3.21Å; T670-D722 WeakPolarHBondContact CG2-OD1 3.43Å; T670-D722 PolarHBondContact OG1-OD1 3.44Å; T670-D722 VanDerWaalsContact OG1-OD1 3.05Å; R720-D722 WeakPolarHBondContact CG-OD1 3.32Å; R720-D722 IonicContact CZ-OD1 2.78Å; R720-D722 IonicContact CZ-OD2 3.17Å; R720-D722 VanDerWaalsContact CZ-OD2 3.26Å; R720-D722 VanDerWaalsContact NE-CG 3.33Å; R720-D722 IonicContact NE-OD1 3.81Å; R720-D722 PolarHBondContact NE-OD1 2.65Å; R720-D722 IonicContact NE-OD2 2.83Å; R720-D722 PolarHBondContact NE-OD2 3.1Å; R720-D722 IonicContact NH2-OD1 3.01Å; R720-D722 PolarHBondContact NH2-OD1 3.13Å; R720-D722 IonicContact NH2-OD2 3.87Å; R720-D722 PolarHBondContact NH2-OD2 2.95Å; D722-V724 PolarHBondContact O-N 3.28Å
723	P	78.4	Confident	73.6	Confident	52 Å²	52	85 Å²	85	34%	0.338	43%	0.433	S	S	.	.			trans	-59.7	133	171.2	25.6	-31.8	0	0	0	108.3	F574 L725	F574-P723 HydrophobicContact CD1-CB 4.39Å; F574-P723 HydrophobicContact CD1-CG 4.45Å; F574-P723 HydrophobicContact CD2-CB 3.83Å; F574-P723 HydrophobicContact CE2-CB 4.06Å; F574-P723 HydrophobicContact CG-CB 4.01Å; F574-P723 HydrophobicContact CG-CG 4.49Å; F574-P723 HydrophobicContact CZ-CB 4.44Å; F574-P723 VanDerWaalsContact CZ-N 3.27Å; P723-L725 PolarHBondContact O-N 3.47Å
724	V	66.8	Low	71.8	Confident	137 Å²	137	92.4 Å²	92.4	83%	0.83	46%	0.459	S	S	*	.			trans	-52.1	129.4	174.5	179.1	0	0	0	0	107.3	D722 F726	D722-V724 PolarHBondContact O-N 3.28Å; V724-F726 PolarHBondContact O-N 3.14Å
725	L	59.3	Low	69.8	Low	103 Å²	103	99.4 Å²	99.4	54%	0.539	49%	0.49	S	S	.	.			trans	-62.2	37.6	-171.4	-61.2	171.2	0	0	0	114.4	P723 K727 D728 V730	P723-L725 PolarHBondContact O-N 3.47Å; L725-K727 PolarHBondContact O-N 3.12Å; L725-D728 HydrophobicContact CB-CB 3.71Å; L725-D728 HydrophobicContact CD2-CB 3.65Å; L725-D728 VanDerWaalsContact CD2-OD2 3.32Å; L725-D728 WeakPolarHBondContact CD2-OD2 3.22Å; L725-D728 HydrophobicContact CG-CB 4.19Å; L725-D728 PolarHBondContact O-N 3.29Å; L725-V730 HydrophobicContact CB-CG2 4.48Å; L725-V730 HydrophobicContact CD1-CG2 4.05Å
726	F	43.6	Very low	67.7	Low	182 Å²	182	105.5 Å²	105.5	80%	0.798	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	103.3	172.1	-168.2	-105	0	0	0	107.8	V724	V724-F726 PolarHBondContact O-N 3.14Å
727	K	44	Very low	65.7	Low	182 Å²	182	108.4 Å²	108.4	79%	0.791	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	5.4	-174.6	-52.4	178.5	178.2	-177.7	0	117.3	L725 Q729	L725-K727 PolarHBondContact O-N 3.12Å; K727-Q729 PolarHBondContact O-N 3.42Å
728	D	52	Low	63.9	Low	96 Å²	96	117.1 Å²	117.1	51%	0.513	55%	0.553	S	S	.	*			trans	-69	134.3	163.4	-130.7	32.2	0	0	0	107.4	L725 V730	L725-D728 HydrophobicContact CB-CB 3.71Å; L725-D728 HydrophobicContact CD2-CB 3.65Å; L725-D728 VanDerWaalsContact CD2-OD2 3.32Å; L725-D728 WeakPolarHBondContact CD2-OD2 3.22Å; L725-D728 HydrophobicContact CG-CB 4.19Å; L725-D728 PolarHBondContact O-N 3.29Å; D728-V730 HydrophobicContact CB-CG2 4.19Å; D728-V730 PolarHBondContact O-N 3.41Å
729	Q	50.5	Low	62.3	Low	116 Å²	116	117.5 Å²	117.5	54%	0.542	56%	0.555	S	S	.	*			trans	-73.6	47.8	-173.8	-62.8	-170.7	-13.4	0	0	111.8	K727 S731 I732 L733	K727-Q729 PolarHBondContact O-N 3.42Å; Q729-S731 PolarHBondContact O-N 3.21Å; Q729-I732 HydrophobicContact CB-CB 3.94Å; Q729-I732 HydrophobicContact CB-CD1 3.97Å; Q729-I732 HydrophobicContact CB-CG1 4.26Å; Q729-I732 HydrophobicContact CG-CD1 3.86Å; Q729-I732 WeakPolarHBondContact O-CA 3.42Å; Q729-I732 PolarHBondContact O-N 2.91Å; Q729-I732 VanDerWaalsContact OE1-CD1 3.22Å; Q729-L733 PolarHBondContact O-N 2.79Å
730	V	56.1	Low	60.4	Low	57 Å²	57	120.1 Å²	120.1	35%	0.345	57%	0.569	S	S	.	*	H	α-helix	trans	-56.2	-34.3	177.3	-176	0	0	0	0	110	L725 D728 I732 L733 R734	L725-V730 HydrophobicContact CB-CG2 4.48Å; L725-V730 HydrophobicContact CD1-CG2 4.05Å; D728-V730 HydrophobicContact CB-CG2 4.19Å; D728-V730 PolarHBondContact O-N 3.41Å; V730-I732 VanDerWaalsContact C-N 3.34Å; V730-I732 PolarHBondContact O-N 3.12Å; V730-L733 PolarHBondContact O-N 2.81Å; V730-R734 HydrophobicContact CG1-CG 4.28Å; V730-R734 WeakPolarHBondContact O-CB 3.11Å; V730-R734 WeakPolarHBondContact O-CG 3.39Å; V730-R734 PolarHBondContact O-N 3.02Å
731	S	55.7	Low	58.4	Low	88 Å²	88	121.5 Å²	121.5	62%	0.615	58%	0.581	S	S	*	*	H	α-helix	trans	-64.5	-32	173.4	54.4	0	0	0	0	114	Q729	Q729-S731 PolarHBondContact O-N 3.21Å
732	I	57	Low	56.5	Low	89 Å²	89	129.4 Å²	129.4	46%	0.456	61%	0.607	S	S	.	*	H	α-helix	trans	-85.1	-37.1	177.4	-64	166.3	0	0	0	110.4	Q729 V730 K735	Q729-I732 HydrophobicContact CB-CB 3.94Å; Q729-I732 HydrophobicContact CB-CD1 3.97Å; Q729-I732 HydrophobicContact CB-CG1 4.26Å; Q729-I732 HydrophobicContact CG-CD1 3.86Å; Q729-I732 WeakPolarHBondContact O-CA 3.42Å; Q729-I732 PolarHBondContact O-N 2.91Å; Q729-I732 VanDerWaalsContact OE1-CD1 3.22Å; V730-I732 VanDerWaalsContact C-N 3.34Å; V730-I732 PolarHBondContact O-N 3.12Å; I732-K735 WeakPolarHBondContact O-CB 3.34Å; I732-K735 PolarHBondContact O-N 3.19Å
733	L	53.6	Low	54.2	Low	90 Å²	90	136.9 Å²	136.9	47%	0.471	65%	0.646	S	S	.	*	H	α-helix	trans	-71.1	-31.5	175	-68.7	171.5	0	0	0	112.4	Q729 V730 K735 K736 Y737	Q729-L733 PolarHBondContact O-N 2.79Å; V730-L733 PolarHBondContact O-N 2.81Å; L733-K735 VanDerWaalsContact C-N 3.26Å; L733-K735 PolarHBondContact O-N 3.19Å; L733-K736 WeakPolarHBondContact O-CB 3.45Å; L733-K736 PolarHBondContact O-N 2.92Å; L733-Y737 PolarHBondContact O-N 3.3Å
734	R	55.3	Low	53	Low	162 Å²	162	141.1 Å²	141.1	61%	0.611	66%	0.661	S	S	*	*	H	α-helix	trans	-60.2	-33.4	169.2	-86.1	-180	174.7	-175.2	-2.7	112.5	V730 K736 Y737	V730-R734 HydrophobicContact CG1-CG 4.28Å; V730-R734 WeakPolarHBondContact O-CB 3.11Å; V730-R734 WeakPolarHBondContact O-CG 3.39Å; V730-R734 PolarHBondContact O-N 3.02Å; R734-K736 PolarHBondContact O-N 3.39Å; R734-Y737 PolarHBondContact O-N 2.92Å
735	K	54.7	Low	52.3	Low	153 Å²	153	141.3 Å²	141.3	67%	0.665	65%	0.652	S	S	*	*	H	α-helix	trans	-66	-25.6	172.9	-73.1	-177.1	177.1	-178.7	0	112.8	I732 L733	I732-K735 WeakPolarHBondContact O-CB 3.34Å; I732-K735 PolarHBondContact O-N 3.19Å; L733-K735 VanDerWaalsContact C-N 3.26Å; L733-K735 PolarHBondContact O-N 3.19Å
736	K	51.1	Low	51.9	Low	157 Å²	157	143.4 Å²	143.4	68%	0.683	66%	0.659	S	S	*	*	H	α-helix	trans	-83.3	-21	-178.5	-159.4	175.1	-177	179.5	0	113.4	L733 R734	L733-K736 WeakPolarHBondContact O-CB 3.45Å; L733-K736 PolarHBondContact O-N 2.92Å; R734-K736 PolarHBondContact O-N 3.39Å
737	Y	53.8	Low	52.4	Low	137 Å²	137	141.2 Å²	141.2	54%	0.537	65%	0.65	S	S	.	*			trans	-129.7	56.8	-178	-60	-78.6	0	0	0	111.9	L733 R734 E739 I740	L733-Y737 PolarHBondContact O-N 3.3Å; R734-Y737 PolarHBondContact O-N 2.92Å; Y737-E739 PolarHBondContact O-N 3.11Å; Y737-E739 VanDerWaalsContact O-N 3.15Å; Y737-I740 HydrophobicContact CD1-CD1 4.44Å; Y737-I740 HydrophobicContact CG-CD1 4.23Å; Y737-I740 PolarHBondContact O-N 3.23Å
738	R	56.3	Low	52.9	Low	198 Å²	198	138.6 Å²	138.6	75%	0.747	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-61.1	-20.5	-179.8	-75.5	-177.8	174.1	-180	-3.5	114.2
739	E	59.8	Low	53	Low	153 Å²	153	141.5 Å²	141.5	72%	0.715	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-85.7	-10	-176	-61.3	-165.2	160.8	0	0	114.4	Y737 E741 R742	Y737-E739 PolarHBondContact O-N 3.11Å; Y737-E739 VanDerWaalsContact O-N 3.15Å; E739-E741 PolarHBondContact O-N 3.06Å; E739-R742 PolarHBondContact O-N 3.04Å
740	I	52.8	Low	53.2	Low	125 Å²	125	143.3 Å²	143.3	64%	0.641	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-68.7	-23.1	178.6	-75.8	178.3	0	0	0	112.3	Y737 R742	Y737-I740 HydrophobicContact CD1-CD1 4.44Å; Y737-I740 HydrophobicContact CG-CD1 4.23Å; Y737-I740 PolarHBondContact O-N 3.23Å; I740-R742 VanDerWaalsContact C-N 3.32Å
741	E	49.1	Very low	52.9	Low	155 Å²	155	149.9 Å²	149.9	72%	0.724	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-88.3	5.2	177.9	-65.1	-178.2	172.8	0	0	113.3	E739	E739-E741 PolarHBondContact O-N 3.06Å
742	R	50.5	Low	52.7	Low	217 Å²	217	155.1 Å²	155.1	82%	0.819	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-99.8	3.7	179.8	-100.3	-175.2	175.5	179.4	-2.6	114.8	E739 I740	E739-R742 PolarHBondContact O-N 3.04Å; I740-R742 VanDerWaalsContact C-N 3.32Å
743	L	38.7	Very low	52.3	Low	225 Å²	225	161.1 Å²	161.1	100%	1.178	71%	0.708	S	S	*	*			trans	-103.5	0	178.3	-85.3	163.4	0	0	0	112.3

Retrieved 743 of 743 residues in 2072.9 ms (Link to these results)

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