A0A077ZKH3_TRITR Loading...

UDP-D-xylose:beta-D-glucoside alpha-1,3-D-xylosyltransferase

Glycosyltransferase which elongates the O-linked glucose attached to EGF-like repeats in the extracellular domain of Notch proteins by catalyzing the addition of xylose.

AlphaFold DB , UniProt , Accession A0A077ZKH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 448 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	S	45.5	Very low	41.6	Very low	175 Å²	175	137.6 Å²	137.6	100%	1.224	75%	0.754	S	S	*	*				0	158.8	0	-13.7	0	0	0	0	109
2	T	39.3	Very low	41.2	Very low	133 Å²	133	133.7 Å²	133.7	82%	0.816	75%	0.753	S	S	*	*			trans	-56.1	158.8	170.7	39.2	0	0	0	0	113.5
3	S	39.1	Very low	40.7	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	76%	0.758	S	S	*	*			cis	-177.2	-173.2	-18.4	57.8	0	0	0	0	107.9
4	T	45.1	Very low	40.6	Very low	109 Å²	109	131.8 Å²	131.8	67%	0.669	75%	0.754	S	S	*	*			cis	-163.7	130.3	2.9	-7.1	0	0	0	0	110.7
5	T	44.5	Very low	39.5	Very low	111 Å²	111	130.9 Å²	130.9	68%	0.681	76%	0.757	S	S	*	*			trans	57.1	168.5	143.2	53.7	0	0	0	0	121.3
6	H	45.1	Very low	39.2	Very low	151 Å²	151	135.5 Å²	135.5	70%	0.699	77%	0.765	S	S	*	*			cis	-143.4	145.8	4.7	-105	-46.9	0	0	0	110.3
7	L	40.3	Very low	38.8	Very low	137 Å²	137	141.2 Å²	141.2	72%	0.717	77%	0.772	S	S	*	*				50.4	144.3	104.3	-61.9	-178.2	0	0	0	117.2
8	T	39.5	Very low	38.4	Very low	120 Å²	120	146 Å²	146	74%	0.736	78%	0.776	S	S	*	*			cis	-144.8	147.7	31.6	42.7	0	0	0	0	113.6
9	R	39.5	Very low	38	Very low	188 Å²	188	144.2 Å²	144.2	71%	0.709	78%	0.777	S	S	*	*				55.9	141	89.2	-51.9	-176.8	91.3	-179.4	-4.3	115.6
10	E	39.5	Very low	37.7	Very low	109 Å²	109	142 Å²	142	51%	0.509	77%	0.773	S	S	.	*			cis	-170.2	165	-0.4	-122.3	162.6	-173.3	0	0	114.7
11	H	40.5	Very low	37.5	Very low	184 Å²	184	142 Å²	142	85%	0.852	77%	0.772	S	S	*	*			trans	61.5	154	151.7	-64.4	-37.8	0	0	0	121.5
12	A	36.3	Very low	36.9	Very low	90 Å²	90	141.8 Å²	141.8	74%	0.744	75%	0.752	S	S	*	*			cis	-160.2	177.9	-14.8	0	0	0	0	0	113
13	T	35.5	Very low	36.6	Very low	134 Å²	134	143.1 Å²	143.1	82%	0.822	75%	0.749	S	S	*	*			trans	-90.4	-173.9	-171.3	19.9	0	0	0	0	115.5
14	P	38.3	Very low	36.3	Very low	107 Å²	107	143.6 Å²	143.6	70%	0.695	75%	0.752	S	S	*	*			cis	-140.4	170.1	-23.3	33.1	-11.9	0	0	0	117.9
15	C	25.5	Very low	35.9	Very low	118 Å²	118	143.7 Å²	143.7	80%	0.797	76%	0.755	S	S	*	*			trans	48	117.6	144.4	-66	0	0	0	0	124.6
16	K	34.3	Very low	35.5	Very low	205 Å²	205	145.1 Å²	145.1	89%	0.891	76%	0.763	S	S	*	*				-178.2	123.6	109.9	-100.8	168.3	-175.7	172.6	0	116.6
17	R	32.1	Very low	34.9	Very low	233 Å²	233	144 Å²	144	88%	0.879	77%	0.767	S	S	*	*			trans	36.7	127	146.1	-69.3	-174.5	176.1	-179	-0.2	124.3
18	R	31	Very low	34.5	Very low	227 Å²	227	142.9 Å²	142.9	86%	0.857	77%	0.768	S	S	*	*			trans	90	125.9	135.9	-83.1	-171.5	173.9	-168.2	-2.6	121.6
19	S	30.7	Very low	34	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	78%	0.777	S	S	*	*			trans	52.4	133.2	150.9	50.7	0	0	0	0	118.7
20	S	33.2	Very low	33.6	Very low	99 Å²	99	141.2 Å²	141.2	69%	0.692	77%	0.773	S	S	*	*			cis	-156.1	162.5	29.7	49.4	0	0	0	0	113.8
21	D	32.2	Very low	33	Very low	143 Å²	143	143.7 Å²	143.7	77%	0.765	79%	0.789	S	S	*	*			trans	38	114.4	150.3	-46.3	-28.1	0	0	0	121.6
22	Q	34	Very low	32.5	Very low	171 Å²	171	145 Å²	145	80%	0.799	79%	0.786	S	S	*	*				179.3	136.7	105.6	-93.8	175.7	12.3	0	0	114.4
23	Q	33	Very low	31.9	Very low	161 Å²	161	148.1 Å²	148.1	75%	0.752	79%	0.791	S	S	*	*			trans	42.9	98.6	147.4	-58.1	175.1	3.9	0	0	119.8
24	S	32.8	Very low	31.7	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	79%	0.786	S	S	*	*				69.1	155.5	67.6	79.8	0	0	0	0	116.7
25	P	37.2	Very low	31.1	Very low	111 Å²	111	149 Å²	149	72%	0.721	79%	0.794	S	S	*	*				-143.4	176.8	-58.7	41.5	-24.9	0	0	0	114.2
26	T	34.4	Very low	31.5	Very low	140 Å²	140	149.6 Å²	149.6	86%	0.859	79%	0.794	S	S	*	*			trans	-139.1	99	157.1	37.4	0	0	0	0	113.6
27	T	33.3	Very low	31.1	Very low	128 Å²	128	147 Å²	147	79%	0.785	80%	0.796	S	S	*	*			trans	-8.6	133.4	160.9	47.2	0	0	0	0	121.8
28	P	31.4	Very low	31	Very low	114 Å²	114	139.7 Å²	139.7	74%	0.74	79%	0.792	S	S	*	*			trans	-92.6	168.8	141.8	37.1	-31.2	0	0	0	112.3
29	N	30	Very low	30.8	Very low	172 Å²	172	133.9 Å²	133.9	92%	0.92	79%	0.787	S	S	*	*			trans	-65.1	141.1	-174.6	-61.7	-36.3	0	0	0	114.7
30	T	30.6	Very low	30.8	Very low	101 Å²	101	139.8 Å²	139.8	62%	0.62	79%	0.793	S	S	*	*			trans	-123.3	126.7	174	-28.8	0	0	0	0	111.3	W32	T30-W32 HydrophobicContact CG2-CZ2 4.27Å
31	L	27.2	Very low	30.6	Very low	161 Å²	161	143.9 Å²	143.9	84%	0.843	80%	0.801	S	S	*	*			trans	-77.6	144.3	162.2	-81.3	81.2	0	0	0	109.5
32	W	29.1	Very low	30.4	Very low	211 Å²	211	144 Å²	144	80%	0.799	80%	0.797	S	S	*	*			trans	-133.2	117.6	167	-74.1	101.9	0	0	0	111	T30	T30-W32 HydrophobicContact CG2-CZ2 4.27Å
33	N	25.1	Very low	30.3	Very low	156 Å²	156	140.4 Å²	140.4	83%	0.834	80%	0.797	S	S	*	*			trans	-89.1	139.9	160.7	-74.4	-20.5	0	0	0	108.2
34	V	30.5	Very low	30	Very low	119 Å²	119	140 Å²	140	72%	0.721	80%	0.8	S	S	*	*			trans	-130	123	171.3	179.7	0	0	0	0	109.4	T36	V34-T36 HydrophobicContact CG1-CG2 4.06Å
35	T	24.9	Very low	29.8	Very low	141 Å²	141	143 Å²	143	87%	0.865	81%	0.807	S	S	*	*			trans	-115.4	126.3	170.1	41.6	0	0	0	0	108.9
36	T	33.9	Very low	29.5	Very low	129 Å²	129	144.2 Å²	144.2	79%	0.791	82%	0.816	S	S	*	*			trans	-133.6	113.2	177	47.8	0	0	0	0	110.8	V34	V34-T36 HydrophobicContact CG1-CG2 4.06Å
37	T	27.2	Very low	29.4	Very low	152 Å²	152	143.4 Å²	143.4	93%	0.933	82%	0.816	S	S	*	*			trans	-88.6	130.8	169.6	48.8	0	0	0	0	110.2
38	G	30.4	Very low	29.3	Very low	79 Å²	79	142.7 Å²	142.7	81%	0.814	82%	0.824	S	S	*	*			trans	-158	131.8	174.2	0	0	0	0	0	111.8
39	S	26.3	Very low	29.2	Very low	105 Å²	105	140.6 Å²	140.6	73%	0.734	82%	0.823	S	S	*	*			trans	-110.2	138.5	-173	54.3	0	0	0	0	112.3
40	Y	29.9	Very low	29.2	Very low	235 Å²	235	142.8 Å²	142.8	92%	0.922	82%	0.824	S	S	*	*			trans	-134.8	152.7	168.9	-88.3	-80.2	0	0	0	113.1
41	H	30.4	Very low	29.3	Very low	185 Å²	185	142.8 Å²	142.8	86%	0.856	82%	0.82	S	S	*	*			trans	-87.4	153.5	-166.5	-74.1	-98.9	0	0	0	114.1
42	Q	27.6	Very low	29.5	Very low	145 Å²	145	141.1 Å²	141.1	68%	0.678	82%	0.819	S	S	*	*			trans	-75.6	151.1	168.4	-71.3	-178.9	-34.6	0	0	112.8
43	A	31.1	Very low	29.6	Very low	97 Å²	97	138.6 Å²	138.6	80%	0.802	82%	0.816	S	S	*	*			trans	-139.7	118.2	159.4	0	0	0	0	0	109.5
44	N	27.7	Very low	29.7	Very low	153 Å²	153	136 Å²	136	82%	0.818	81%	0.809	S	S	*	*			trans	-91.6	141.8	176.3	-84	-28.1	0	0	0	111
45	L	28.2	Very low	29.6	Very low	169 Å²	169	141.8 Å²	141.8	89%	0.885	82%	0.818	S	S	*	*			trans	-136.6	96.9	176.6	-97.3	157.6	0	0	0	110.1
46	C	31.3	Very low	29.7	Very low	137 Å²	137	141.8 Å²	141.8	93%	0.926	81%	0.812	S	S	*	*			trans	-179.4	114	148.3	-102.9	0	0	0	0	108.7
47	S	32.2	Very low	29.4	Very low	123 Å²	123	139.8 Å²	139.8	86%	0.86	80%	0.801	S	S	*	*			trans	-85.9	154.7	174.6	45.6	0	0	0	0	111.3
48	A	29.7	Very low	29.6	Very low	113 Å²	113	139.4 Å²	139.4	93%	0.934	79%	0.792	S	S	*	*			trans	-77.2	130.6	-173.2	0	0	0	0	0	113.1
49	G	29.6	Very low	29.7	Very low	70 Å²	70	140.2 Å²	140.2	72%	0.722	78%	0.784	S	S	*	*			trans	163	108.4	165.7	0	0	0	0	0	116.1
50	K	31.1	Very low	29.9	Very low	217 Å²	217	139.5 Å²	139.5	94%	0.943	78%	0.775	S	S	*	*			trans	62.4	75.1	156	-54.2	175.7	-179.2	178.4	0	118.8
51	D	31.2	Very low	29.9	Very low	101 Å²	101	135.5 Å²	135.5	54%	0.54	77%	0.768	S	S	.	*			trans	-156.1	123.2	146.4	-162.8	-19.5	0	0	0	112.2	H53	D51-H53 VanDerWaalsContact C-N 3.25Å; D51-H53 PolarHBondContact O-N 2.77Å; D51-H53 WeakPolarHBondContact OD1-CA 3.35Å; D51-H53 PolarHBondContact OD1-N 3.42Å
52	P	31.3	Very low	30	Very low	127 Å²	127	133.7 Å²	133.7	83%	0.825	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-5.4	169.4	-16.7	32.4	0	0	0	115.5
53	H	32.2	Very low	30.1	Very low	157 Å²	157	135.6 Å²	135.6	73%	0.727	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	27.4	-168	-73.9	-15	0	0	0	115.2	D51 R55	D51-H53 VanDerWaalsContact C-N 3.25Å; D51-H53 PolarHBondContact O-N 2.77Å; D51-H53 WeakPolarHBondContact OD1-CA 3.35Å; D51-H53 PolarHBondContact OD1-N 3.42Å; H53-R55 PolarHBondContact O-N 2.75Å
54	C	27.1	Very low	30	Very low	103 Å²	103	140.3 Å²	140.3	70%	0.696	77%	0.767	S	S	*	*			trans	-63.2	70.2	166.3	-74.6	0	0	0	0	113.5	L56	C54-L56 PolarHBondContact O-N 2.77Å; C54-L56 VanDerWaalsContact O-N 3.1Å
55	R	27.6	Very low	30	Very low	239 Å²	239	138.4 Å²	138.4	90%	0.902	77%	0.766	S	S	*	*			trans	-68.2	101.1	161.4	-73.8	-172.1	174.7	-160.3	-0	108	H53	H53-R55 PolarHBondContact O-N 2.75Å
56	L	27.3	Very low	30.3	Very low	142 Å²	142	139.6 Å²	139.6	74%	0.743	77%	0.767	S	S	*	*			trans	-49.9	123.8	177.2	-81.2	163.6	0	0	0	110.9	C54	C54-L56 PolarHBondContact O-N 2.77Å; C54-L56 VanDerWaalsContact O-N 3.1Å
57	P	27.1	Very low	30.3	Very low	86 Å²	86	136.4 Å²	136.4	56%	0.558	75%	0.75	S	S	*	*			trans	-69.8	139	172.6	30.6	-34	0	0	0	109.2	P59 V60	P57-P59 VanDerWaalsContact C-N 3.3Å; P57-P59 WeakPolarHBondContact O-CD 3.5Å; P57-P59 VanDerWaalsContact O-N 3.08Å; P57-V60 HydrophobicContact CG-CG2 4.32Å; P57-V60 PolarHBondContact O-N 3.22Å
58	L	32.9	Very low	30.5	Very low	144 Å²	144	137.2 Å²	137.2	75%	0.754	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-54	-28.1	-171.2	-147.3	68.8	0	0	0	116.5	V60	L58-V60 PolarHBondContact O-N 3.32Å; L58-V60 VanDerWaalsContact O-N 3.11Å
59	P	31	Very low	31.2	Very low	97 Å²	97	133 Å²	133	63%	0.63	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-61.8	-14.5	178.6	-27.3	37.2	0	0	0	116.7	P57 L61 L62	P57-P59 VanDerWaalsContact C-N 3.3Å; P57-P59 WeakPolarHBondContact O-CD 3.5Å; P57-P59 VanDerWaalsContact O-N 3.08Å; P59-L61 VanDerWaalsContact C-N 3.29Å; P59-L61 PolarHBondContact O-N 3.41Å; P59-L62 PolarHBondContact O-N 3.11Å
60	V	30.7	Very low	32	Very low	90 Å²	90	131.6 Å²	131.6	55%	0.545	68%	0.678	S	S	.	*	G	3₁₀ helix	trans	-71.6	-22.6	-176.3	-177.2	0	0	0	0	112.8	P57 L58 L62	P57-V60 HydrophobicContact CG-CG2 4.32Å; P57-V60 PolarHBondContact O-N 3.22Å; L58-V60 PolarHBondContact O-N 3.32Å; L58-V60 VanDerWaalsContact O-N 3.11Å; V60-L62 PolarHBondContact O-N 3.05Å
61	L	30.6	Very low	32.6	Very low	150 Å²	150	121.3 Å²	121.3	79%	0.785	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-71.2	-12.8	177.8	-74.8	167.5	0	0	0	114.1	P59 K63	P59-L61 VanDerWaalsContact C-N 3.29Å; P59-L61 PolarHBondContact O-N 3.41Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 2.89Å
62	L	32.7	Very low	33.1	Very low	148 Å²	148	118.9 Å²	118.9	78%	0.775	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-88.4	10.3	-174.1	-72.6	165.7	0	0	0	114.6	P59 V60	P59-L62 PolarHBondContact O-N 3.11Å; V60-L62 PolarHBondContact O-N 3.05Å
63	K	28.8	Very low	33.6	Very low	185 Å²	185	117.1 Å²	117.1	80%	0.804	60%	0.604	S	S	*	*	S	Bend	trans	-112.9	20.1	-171.6	-137.1	179.6	-176.7	-177.6	0	116.5	L61	L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 2.89Å
64	W	28.8	Very low	34.3	Very low	196 Å²	196	110.1 Å²	110.1	74%	0.742	57%	0.572	S	S	*	*			trans	-138.8	69	168.2	-79	81.5	0	0	0	109.8	E66	W64-E66 PolarHBondContact O-N 3.21Å
65	S	28.2	Very low	35.2	Very low	112 Å²	112	108.5 Å²	108.5	78%	0.783	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	7.7	-168.9	50.6	0	0	0	0	116.2
66	E	34.1	Very low	35.6	Very low	194 Å²	194	101.1 Å²	101.1	91%	0.907	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-2.7	-174.2	-61.7	-178.6	169.2	0	0	113.4	W64	W64-E66 PolarHBondContact O-N 3.21Å
67	A	32.6	Very low	36.3	Very low	70 Å²	70	100 Å²	100	58%	0.579	52%	0.515	S	S	*	.	S	Bend	trans	-113.9	-4.2	-167.6	0	0	0	0	0	116.1
68	F	34.9	Very low	36.9	Very low	140 Å²	140	97.8 Å²	97.8	61%	0.614	50%	0.498	S	S	*	.			trans	-139.4	137.6	180	-87.4	-93.3	0	0	0	111	P70 L73	F68-P70 WeakPolarHBondContact O-CD 3.41Å; F68-L73 HydrophobicContact CB-CD1 4.37Å; F68-L73 HydrophobicContact CB-CG 4.45Å; F68-L73 HydrophobicContact CD1-CD2 4.21Å
69	D	46.2	Very low	37.2	Very low	24 Å²	24	95.6 Å²	95.6	13%	0.128	48%	0.48	C	S	.	.			trans	-75.9	126.5	165.8	-161.5	-54.5	0	0	0	109.1	G71 D72 L73 R238	D69-G71 PolarHBondContact O-N 3.49Å; D69-G71 VanDerWaalsContact O-N 3.09Å; D69-G71 PolarHBondContact OD1-N 3.28Å; D69-D72 PolarHBondContact O-N 2.88Å; D69-L73 PolarHBondContact O-N 3.14Å; D69-R238 IonicContact OD1-NH2 2.66Å; D69-R238 PolarHBondContact OD1-NH2 3.09Å; D69-R238 IonicContact OD2-CZ 2.75Å; D69-R238 IonicContact OD2-NE 3.8Å; D69-R238 PolarHBondContact OD2-NE 2.9Å; D69-R238 IonicContact OD2-NH2 3.02Å; D69-R238 PolarHBondContact OD2-NH2 2.59Å
70	P	44.5	Very low	37.3	Very low	41 Å²	41	93.2 Å²	93.2	27%	0.266	47%	0.469	S	S	.	.	H	α-helix	trans	-55	-24.5	173.4	-27	35.7	0	0	0	114	F68 D72 L73 L74 M207 V448	F68-P70 WeakPolarHBondContact O-CD 3.41Å; P70-D72 VanDerWaalsContact C-N 3.33Å; P70-D72 PolarHBondContact O-N 3.01Å; P70-L73 PolarHBondContact O-N 2.86Å; P70-L74 WeakPolarHBondContact O-CB 3.3Å; P70-L74 WeakPolarHBondContact O-CD1 3.33Å; P70-L74 PolarHBondContact O-N 2.95Å; P70-M207 HydrophobicContact CB-SD 3.97Å; P70-V448 HydrophobicContact CB-CG1 3.35Å; P70-V448 HydrophobicContact CG-CG1 4.1Å
71	G	45.1	Very low	37.5	Very low	1 Å²	1	90 Å²	90	1%	0.01	45%	0.45	C	S	.	.	H	α-helix	trans	-60.9	-37.8	171.6	0	0	0	0	0	113.3	D69 L74 R75 F208	D69-G71 PolarHBondContact O-N 3.49Å; D69-G71 VanDerWaalsContact O-N 3.09Å; D69-G71 PolarHBondContact OD1-N 3.28Å; G71-L74 PolarHBondContact O-N 3.45Å; G71-R75 WeakPolarHBondContact O-CD 3.3Å; G71-R75 VanDerWaalsContact O-CG 3.26Å; G71-R75 WeakPolarHBondContact O-CG 2.99Å; G71-R75 PolarHBondContact O-N 2.85Å; G71-F208 VanDerWaalsContact CA-CE1 3.42Å; G71-F208 WeakPolarHBondContact O-CE1 3.37Å
72	D	41.6	Very low	37.8	Very low	51 Å²	51	85.5 Å²	85.5	27%	0.273	43%	0.429	S	S	.	.	H	α-helix	trans	-76.7	-33.6	175.7	-74.3	-35	0	0	0	112.1	D69 P70 L74 R75 I76	D69-D72 PolarHBondContact O-N 2.88Å; P70-D72 VanDerWaalsContact C-N 3.33Å; P70-D72 PolarHBondContact O-N 3.01Å; D72-L74 VanDerWaalsContact C-N 3.33Å; D72-R75 PolarHBondContact O-N 3.37Å; D72-R75 VanDerWaalsContact OD1-CD 3.28Å; D72-R75 WeakPolarHBondContact OD1-CD 3.45Å; D72-R75 IonicContact OD1-CZ 2.65Å; D72-R75 IonicContact OD1-NE 3.94Å; D72-R75 IonicContact OD1-NH1 3.68Å; D72-R75 PolarHBondContact OD1-NH1 2.66Å; D72-I76 WeakPolarHBondContact O-CD1 3.48Å; D72-I76 VanDerWaalsContact O-CG1 3.25Å; D72-I76 WeakPolarHBondContact O-CG1 2.91Å; D72-I76 PolarHBondContact O-N 3.47Å
73	L	41.5	Very low	37.8	Very low	90 Å²	90	84.2 Å²	84.2	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-62.8	-39.1	168.7	-65.3	177.2	0	0	0	111.8	F68 D69 P70 I76 W77	F68-L73 HydrophobicContact CB-CD1 4.37Å; F68-L73 HydrophobicContact CB-CG 4.45Å; F68-L73 HydrophobicContact CD1-CD2 4.21Å; D69-L73 PolarHBondContact O-N 3.14Å; P70-L73 PolarHBondContact O-N 2.86Å; L73-I76 PolarHBondContact O-N 2.75Å; L73-W77 VanDerWaalsContact O-CB 3.28Å; L73-W77 WeakPolarHBondContact O-CB 3.32Å; L73-W77 PolarHBondContact O-N 2.79Å
74	L	47.6	Very low	37.8	Very low	10 Å²	10	81.8 Å²	81.8	5%	0.052	42%	0.418	C	S	.	.	H	α-helix	trans	-63.3	-45.5	172.3	-108.2	70.4	0	0	0	112.2	P70 G71 D72 I76 W77 L78 M207 F208 I444 I445 V448	P70-L74 WeakPolarHBondContact O-CB 3.3Å; P70-L74 WeakPolarHBondContact O-CD1 3.33Å; P70-L74 PolarHBondContact O-N 2.95Å; G71-L74 PolarHBondContact O-N 3.45Å; D72-L74 VanDerWaalsContact C-N 3.33Å; L74-I76 VanDerWaalsContact C-N 3.27Å; L74-I76 PolarHBondContact O-N 3.27Å; L74-W77 PolarHBondContact O-N 3.39Å; L74-L78 WeakPolarHBondContact O-CB 3.35Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 2.02Å; L74-M207 HydrophobicContact CD2-CE 4.33Å; L74-F208 HydrophobicContact CB-CZ 4.29Å; L74-F208 HydrophobicContact CD2-CZ 3.92Å; L74-I444 HydrophobicContact CD1-CG2 3.57Å; L74-I444 HydrophobicContact CD2-CG2 3.9Å; L74-I444 HydrophobicContact CG-CG2 3.65Å; L74-I445 HydrophobicContact CD2-CD1 3.32Å; L74-I445 HydrophobicContact CD2-CG1 4.02Å; L74-V448 HydrophobicContact CD1-CG2 4Å
75	R	44.9	Very low	37.8	Very low	68 Å²	68	82.5 Å²	82.5	26%	0.257	42%	0.422	S	S	.	.	H	α-helix	trans	-58.2	-42.5	175.5	-73.5	161.1	177.5	168.1	2.8	110.4	G71 D72 R79 F208	G71-R75 WeakPolarHBondContact O-CD 3.3Å; G71-R75 VanDerWaalsContact O-CG 3.26Å; G71-R75 WeakPolarHBondContact O-CG 2.99Å; G71-R75 PolarHBondContact O-N 2.85Å; D72-R75 PolarHBondContact O-N 3.37Å; D72-R75 VanDerWaalsContact OD1-CD 3.28Å; D72-R75 WeakPolarHBondContact OD1-CD 3.45Å; D72-R75 IonicContact OD1-CZ 2.65Å; D72-R75 IonicContact OD1-NE 3.94Å; D72-R75 IonicContact OD1-NH1 3.68Å; D72-R75 PolarHBondContact OD1-NH1 2.66Å; R75-R79 WeakPolarHBondContact O-CB 3.44Å; R75-R79 WeakPolarHBondContact O-CD 3.45Å; R75-R79 WeakPolarHBondContact O-CG 3.42Å; R75-R79 PolarHBondContact O-N 2.96Å; R75-R79 PolarHBondContact O-NE 2.93Å; R75-F208 HydrophobicContact CG-CE1 4.4Å
76	I	37.5	Very low	37.6	Very low	85 Å²	85	87.4 Å²	87.4	44%	0.436	42%	0.423	S	S	.	.	H	α-helix	trans	-66.6	-45.6	175.6	-68.2	163.5	0	0	0	111.3	D72 L73 L74 R79 A80	D72-I76 WeakPolarHBondContact O-CD1 3.48Å; D72-I76 VanDerWaalsContact O-CG1 3.25Å; D72-I76 WeakPolarHBondContact O-CG1 2.91Å; D72-I76 PolarHBondContact O-N 3.47Å; L73-I76 PolarHBondContact O-N 2.75Å; L74-I76 VanDerWaalsContact C-N 3.27Å; L74-I76 PolarHBondContact O-N 3.27Å; I76-R79 WeakPolarHBondContact O-CB 3.49Å; I76-R79 PolarHBondContact O-N 2.95Å; I76-A80 PolarHBondContact O-N 2.84Å; I76-A80 VanDerWaalsContact O-N 3.08Å
77	W	40.1	Very low	37.2	Very low	117 Å²	117	84.2 Å²	84.2	44%	0.443	41%	0.411	S	S	.	.	H	α-helix	trans	-69.7	-46.7	-174.8	-166.7	96.2	0	0	0	112.7	L73 L74 R79 A80 S81 L440 I444	L73-W77 VanDerWaalsContact O-CB 3.28Å; L73-W77 WeakPolarHBondContact O-CB 3.32Å; L73-W77 PolarHBondContact O-N 2.79Å; L74-W77 PolarHBondContact O-N 3.39Å; W77-R79 PolarHBondContact O-N 3.13Å; W77-A80 WeakPolarHBondContact O-CA 3.49Å; W77-A80 WeakPolarHBondContact O-CB 3.33Å; W77-A80 PolarHBondContact O-N 2.89Å; W77-S81 WeakPolarHBondContact CH2-OG 3.29Å; W77-S81 WeakPolarHBondContact CZ2-OG 3.47Å; W77-S81 WeakPolarHBondContact CZ3-OG 3.4Å; W77-S81 PolarHBondContact O-N 2.92Å; W77-S81 PolarHBondContact O-OG 3.47Å; W77-L440 HydrophobicContact CH2-CD1 4.43Å; W77-L440 HydrophobicContact CH2-CD2 4.15Å; W77-L440 HydrophobicContact CZ3-CD2 4.23Å; W77-I444 HydrophobicContact CE3-CD1 3.7Å; W77-I444 HydrophobicContact CH2-CD1 3.75Å; W77-I444 HydrophobicContact CZ3-CD1 3.24Å
78	L	41.4	Very low	36.9	Very low	40 Å²	40	88 Å²	88	21%	0.209	43%	0.427	C	S	.	.	H	α-helix	trans	-61.7	-27.7	174.7	-68.8	168.2	0	0	0	112	L74 T441	L74-L78 WeakPolarHBondContact O-CB 3.35Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 2.02Å; L78-T441 HydrophobicContact CD1-CG2 4.29Å
79	R	38.8	Very low	36.5	Very low	98 Å²	98	89.5 Å²	89.5	37%	0.37	44%	0.436	S	S	.	.	H	α-helix	trans	-78	-18.9	171.7	-70	168.1	-173.6	-166.4	-3.4	114	R75 I76 W77 T82 L139	R75-R79 WeakPolarHBondContact O-CB 3.44Å; R75-R79 WeakPolarHBondContact O-CD 3.45Å; R75-R79 WeakPolarHBondContact O-CG 3.42Å; R75-R79 PolarHBondContact O-N 2.96Å; R75-R79 PolarHBondContact O-NE 2.93Å; I76-R79 WeakPolarHBondContact O-CB 3.49Å; I76-R79 PolarHBondContact O-N 2.95Å; W77-R79 PolarHBondContact O-N 3.13Å; R79-T82 PolarHBondContact O-OG1 2.94Å; R79-L139 HydrophobicContact CG-CD2 3.76Å
80	A	33.3	Very low	35.9	Very low	47 Å²	47	94.1 Å²	94.1	39%	0.388	47%	0.47	S	S	.	.	H	α-helix	trans	-91	-43.6	177.5	0	0	0	0	0	111.8	I76 W77 T82 N83	I76-A80 PolarHBondContact O-N 2.84Å; I76-A80 VanDerWaalsContact O-N 3.08Å; W77-A80 WeakPolarHBondContact O-CA 3.49Å; W77-A80 WeakPolarHBondContact O-CB 3.33Å; W77-A80 PolarHBondContact O-N 2.89Å; A80-T82 PolarHBondContact O-N 3.47Å; A80-T82 VanDerWaalsContact O-N 3.17Å; A80-N83 PolarHBondContact O-N 3.43Å
81	S	35.1	Very low	35	Very low	23 Å²	23	97.7 Å²	97.7	16%	0.161	50%	0.496	C	S	.	.	H	α-helix	trans	-63.1	-22.3	-177	-61.9	0	0	0	0	113.8	W77 N83 L84	W77-S81 WeakPolarHBondContact CH2-OG 3.29Å; W77-S81 WeakPolarHBondContact CZ2-OG 3.47Å; W77-S81 WeakPolarHBondContact CZ3-OG 3.4Å; W77-S81 PolarHBondContact O-N 2.92Å; W77-S81 PolarHBondContact O-OG 3.47Å; S81-N83 PolarHBondContact O-N 3.07Å; S81-L84 PolarHBondContact O-N 3.47Å
82	T	36.9	Very low	34.5	Very low	55 Å²	55	102.5 Å²	102.5	34%	0.337	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.6	171	49.2	0	0	0	0	114.5	R79 A80 W133	R79-T82 PolarHBondContact O-OG1 2.94Å; A80-T82 PolarHBondContact O-N 3.47Å; A80-T82 VanDerWaalsContact O-N 3.17Å; T82-W133 HydrophobicContact CG2-CB 3.8Å; T82-W133 HydrophobicContact CG2-CG 4.26Å
83	N	32.5	Very low	33.8	Very low	122 Å²	122	110 Å²	110	65%	0.652	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	4.6	179.4	-68.5	-74.7	0	0	0	114	A80 S81	A80-N83 PolarHBondContact O-N 3.43Å; S81-N83 PolarHBondContact O-N 3.07Å
84	L	29.1	Very low	33.3	Very low	134 Å²	134	110.8 Å²	110.8	70%	0.702	58%	0.577	S	S	*	*			trans	-99.5	-5.6	-173.7	-85.9	164.6	0	0	0	115.6	S81 R86	S81-L84 PolarHBondContact O-N 3.47Å; L84-R86 PolarHBondContact O-N 2.95Å
85	Y	27.7	Very low	32.3	Very low	211 Å²	211	117.5 Å²	117.5	83%	0.827	62%	0.618	S	S	*	*			trans	-77.7	72.8	169.9	-70.3	-82	0	0	0	111.2
86	R	25.1	Very low	31.6	Very low	214 Å²	214	117.9 Å²	117.9	81%	0.808	64%	0.643	S	S	*	*			trans	-94.2	113.7	179.5	-171.3	179.1	-174.1	-174.3	1.4	111.4	L84	L84-R86 PolarHBondContact O-N 2.95Å
87	I	25.1	Very low	31	Very low	128 Å²	128	122.1 Å²	122.1	66%	0.656	67%	0.667	S	S	*	*			trans	27.6	111.7	145.5	-45.9	173.9	0	0	0	116.2	E89	I87-E89 HydrophobicContact CG2-CG 3.53Å
88	V	27.1	Very low	30.4	Very low	148 Å²	148	121 Å²	121	90%	0.897	68%	0.683	S	S	*	*			trans	-102.6	123.4	150.5	178.7	0	0	0	0	107
89	E	25.7	Very low	29.6	Very low	172 Å²	172	123.6 Å²	123.6	80%	0.804	71%	0.71	S	S	*	*			trans	-93.8	137	-179.3	-63.4	-175.3	121	0	0	112	I87	I87-E89 HydrophobicContact CG2-CG 3.53Å
90	S	32.6	Very low	29.1	Very low	122 Å²	122	128.7 Å²	128.7	85%	0.853	74%	0.735	S	S	*	*			trans	-149.3	131.9	147.3	59.3	0	0	0	0	110.2
91	S	26.7	Very low	28.6	Very low	116 Å²	116	131.3 Å²	131.3	81%	0.811	75%	0.749	S	S	*	*			trans	-109.3	177.9	-175.6	-111.2	0	0	0	0	110.2
92	P	33.9	Very low	28	Very low	102 Å²	102	137 Å²	137	66%	0.662	78%	0.778	S	S	*	*			cis	-138.1	179.6	-26.2	37.8	-20.7	0	0	0	113.9
93	K	27.3	Very low	27.5	Very low	208 Å²	208	141.6 Å²	141.6	90%	0.904	80%	0.801	S	S	*	*			trans	55	112.8	155	-71.4	175.6	180	-179.2	0	120
94	A	30.1	Very low	27.1	Very low	106 Å²	106	143.5 Å²	143.5	88%	0.876	81%	0.809	S	S	*	*			trans	-146.6	148.3	133.5	0	0	0	0	0	109.5
95	T	28	Very low	27.1	Very low	151 Å²	151	143 Å²	143	93%	0.926	81%	0.811	S	S	*	*			trans	-106.5	143.3	179.4	47.9	0	0	0	0	110.9
96	G	29.7	Very low	26.9	Very low	76 Å²	76	137.4 Å²	137.4	78%	0.784	81%	0.809	S	S	*	*			trans	173.2	114.6	169.5	0	0	0	0	0	112.9
97	D	25	Very low	27.2	Very low	174 Å²	174	135.4 Å²	135.4	93%	0.93	81%	0.812	S	S	*	*			trans	-77.8	136.3	173.9	-55.3	-80.1	0	0	0	111.5
98	A	27.8	Very low	27.2	Very low	95 Å²	95	133.5 Å²	133.5	79%	0.785	81%	0.81	S	S	*	*			trans	-156.2	123.9	156.7	0	0	0	0	0	109.5
99	A	24.7	Very low	27.3	Very low	93 Å²	93	137 Å²	137	77%	0.769	81%	0.807	S	S	*	*			trans	-82.2	156.4	169.9	0	0	0	0	0	110.5
100	F	27.1	Very low	27.4	Very low	206 Å²	206	137.5 Å²	137.5	90%	0.904	81%	0.81	S	S	*	*			trans	-134.6	123.2	161.4	-111.3	-86.7	0	0	0	109.6
101	C	22.7	Very low	27.1	Very low	101 Å²	101	136.7 Å²	136.7	68%	0.682	81%	0.81	S	S	*	*			trans	-90.2	170	166	-62.1	0	0	0	0	110.1
102	D	23.5	Very low	27.2	Very low	144 Å²	144	134.4 Å²	134.4	77%	0.77	81%	0.805	S	S	*	*			trans	2.7	137.1	149.8	-47.8	-57.3	0	0	0	118.7
103	D	27.2	Very low	26.8	Very low	151 Å²	151	134.8 Å²	134.8	81%	0.807	81%	0.81	S	S	*	*				-159.2	154.8	106.5	-123.6	-30	0	0	0	114
104	I	24	Very low	26.8	Very low	161 Å²	161	130.8 Å²	130.8	83%	0.826	81%	0.808	S	S	*	*			trans	-119.8	118	171.9	-63.6	173.7	0	0	0	108.8
105	V	28.3	Very low	26.5	Very low	125 Å²	125	128.9 Å²	128.9	76%	0.758	80%	0.799	S	S	*	*			trans	-131.8	129	168.7	-177	0	0	0	0	110.4
106	A	24.3	Very low	26.3	Very low	93 Å²	93	128.5 Å²	128.5	77%	0.769	80%	0.801	S	S	*	*			trans	-103.9	145.7	174.1	0	0	0	0	0	111
107	I	29.8	Very low	26.2	Very low	171 Å²	171	130.5 Å²	130.5	88%	0.877	80%	0.798	S	S	*	*			trans	-124.9	149.5	170	-62.6	-178	0	0	0	108.4
108	S	26.2	Very low	26.5	Very low	89 Å²	89	128 Å²	128	62%	0.622	79%	0.791	S	S	*	*			trans	-127.4	168.8	-165.1	66.7	0	0	0	0	113.4
109	R	27.9	Very low	26.5	Very low	222 Å²	222	131.3 Å²	131.3	84%	0.838	79%	0.79	S	S	*	*			trans	77.6	151.8	174.8	-49.7	171.3	-174.5	-165.2	-0.8	113.6
110	Q	28.3	Very low	26.8	Very low	182 Å²	182	135.3 Å²	135.3	85%	0.85	79%	0.793	S	S	*	*			cis	-143.7	171.6	2.2	-143.5	154.4	-44	0	0	111.2
111	A	26.7	Very low	27	Very low	105 Å²	105	131.7 Å²	131.7	87%	0.868	78%	0.779	S	S	*	*			trans	-90.2	152.5	-170.6	0	0	0	0	0	114.7
112	G	28.3	Very low	27.2	Very low	68 Å²	68	136 Å²	136	70%	0.701	79%	0.786	S	S	*	*			trans	-168.7	102.4	174.3	0	0	0	0	0	114.6
113	S	26	Very low	27.6	Very low	110 Å²	110	134.1 Å²	134.1	77%	0.769	77%	0.773	S	S	*	*			trans	32.5	126.8	154.8	59.1	0	0	0	0	123.2
114	S	26.2	Very low	27.6	Very low	123 Å²	123	133.6 Å²	133.6	86%	0.86	77%	0.77	S	S	*	*			trans	61	118	139.1	62.1	0	0	0	0	121.2
115	G	25.6	Very low	27.7	Very low	67 Å²	67	131.8 Å²	131.8	69%	0.691	77%	0.771	S	S	*	*			trans	147.7	80	160.5	0	0	0	0	0	114.3	V117	G115-V117 PolarHBondContact O-N 3.42Å; G115-V117 VanDerWaalsContact O-N 3.17Å
116	C	23.5	Very low	27.6	Very low	142 Å²	142	134.6 Å²	134.6	96%	0.959	77%	0.774	S	S	*	*			trans	-77.6	99.9	172.6	-66	0	0	0	0	110.4
117	V	27.6	Very low	27.8	Very low	119 Å²	119	142.2 Å²	142.2	72%	0.721	78%	0.783	S	S	*	*			trans	-118.5	139.3	170	-178	0	0	0	0	107.6	G115 H119	G115-V117 PolarHBondContact O-N 3.42Å; G115-V117 VanDerWaalsContact O-N 3.17Å; V117-H119 PolarHBondContact O-N 2.86Å; V117-H119 VanDerWaalsContact O-N 3.09Å
118	P	30.3	Very low	28	Very low	122 Å²	122	136.4 Å²	136.4	79%	0.792	76%	0.76	S	S	*	*			trans	-57.1	117.3	172.8	-23.6	34.5	0	0	0	110	E120	P118-E120 PolarHBondContact O-N 2.92Å; P118-E120 VanDerWaalsContact O-N 3.09Å
119	H	29	Very low	29.1	Very low	164 Å²	164	134.6 Å²	134.6	76%	0.759	75%	0.75	S	S	*	*			trans	-76.7	101.4	-174.6	-161.2	-52.7	0	0	0	109	V117 E121	V117-H119 PolarHBondContact O-N 2.86Å; V117-H119 VanDerWaalsContact O-N 3.09Å; H119-E121 PolarHBondContact O-N 3.32Å; H119-E121 VanDerWaalsContact O-N 3.14Å
120	E	29.9	Very low	30.4	Very low	176 Å²	176	128.8 Å²	128.8	82%	0.822	74%	0.736	S	S	*	*			trans	-56.3	119.6	158.1	-74.8	-167.2	130.4	0	0	107.4	P118 K122	P118-E120 PolarHBondContact O-N 2.92Å; P118-E120 VanDerWaalsContact O-N 3.09Å; E120-K122 PolarHBondContact O-N 2.8Å
121	E	32.9	Very low	31.6	Very low	131 Å²	131	120.6 Å²	120.6	61%	0.612	70%	0.698	S	S	*	*			trans	-65.6	98.8	176.2	-73.6	-178.8	120.9	0	0	108.9	H119 E123	H119-E121 PolarHBondContact O-N 3.32Å; H119-E121 VanDerWaalsContact O-N 3.14Å; E121-E123 HydrophobicContact CB-CG 4.26Å; E121-E123 PolarHBondContact O-N 2.51Å
122	K	25.8	Very low	33.2	Very low	190 Å²	190	126.3 Å²	126.3	83%	0.826	70%	0.698	S	S	*	*			trans	-66.4	70.9	157.3	-74.1	-172.9	177.3	179.9	0	108.6	E120 N124	E120-K122 PolarHBondContact O-N 2.8Å; K122-N124 PolarHBondContact O-N 3.45Å
123	E	32.8	Very low	34.6	Very low	106 Å²	106	126.7 Å²	126.7	50%	0.495	68%	0.678	S	S	.	*			trans	-56.4	109.8	164.4	-70.1	-171.7	128.1	0	0	107.8	E121 K434	E121-E123 HydrophobicContact CB-CG 4.26Å; E121-E123 PolarHBondContact O-N 2.51Å; E123-K434 IonicContact OE2-NZ 3.32Å; E123-K434 PolarHBondContact OE2-NZ 2.83Å
124	N	26.9	Very low	35.4	Very low	140 Å²	140	123 Å²	123	75%	0.749	65%	0.651	S	S	*	*			trans	-55.9	146.4	169.8	-74	-43.1	0	0	0	109.4	K122 F126	K122-N124 PolarHBondContact O-N 3.45Å; N124-F126 PolarHBondContact O-N 3.21Å
125	S	25.9	Very low	36.3	Very low	122 Å²	122	121.5 Å²	121.5	85%	0.853	64%	0.641	S	S	*	*			trans	-70.7	70.8	-176.5	57.6	0	0	0	0	112.8
126	F	26.8	Very low	36.9	Very low	185 Å²	185	120.3 Å²	120.3	81%	0.811	62%	0.622	S	S	*	*			trans	-82.1	139.5	158.3	-96.7	-100.6	0	0	0	109.4	N124 A128	N124-F126 PolarHBondContact O-N 3.21Å; F126-A128 PolarHBondContact O-N 2.9Å
127	W	28.1	Very low	37.3	Very low	253 Å²	253	122.9 Å²	122.9	96%	0.958	62%	0.617	S	S	*	*			trans	-59.9	103.7	-174.3	-58	84.9	0	0	0	111.2	A129	W127-A129 PolarHBondContact O-N 3.46Å
128	A	34.2	Very low	37.6	Very low	48 Å²	48	121 Å²	121	40%	0.397	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-66	131.6	168.9	0	0	0	0	0	108.8	F126 M407	F126-A128 PolarHBondContact O-N 2.9Å; A128-M407 HydrophobicContact CB-CG 4.47Å
129	A	47.8	Very low	37.7	Very low	51 Å²	51	117.4 Å²	117.4	42%	0.421	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-77.2	138.6	173.1	0	0	0	0	0	109.8	W127 C131 M407 Q435	W127-A129 PolarHBondContact O-N 3.46Å; A129-C131 PolarHBondContact O-N 2.95Å; A129-M407 WeakPolarHBondContact CB-O 3.32Å; A129-M407 PolarHBondContact N-O 2.97Å; A129-Q435 PolarHBondContact O-NE2 2.96Å
130	D	55.1	Low	37.7	Very low	101 Å²	101	116.5 Å²	116.5	54%	0.54	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-65.5	128.3	175.4	-74.6	-51.8	0	0	0	111	R132 P436	D130-R132 PolarHBondContact O-N 3.44Å; D130-P436 VanDerWaalsContact OD1-CD 3.22Å; D130-P436 WeakPolarHBondContact OD1-CD 3.22Å
131	C	54.5	Low	37.7	Very low	9 Å²	9	118.7 Å²	118.7	6%	0.061	59%	0.588	C	S	.	*			trans	-62.3	94.7	170.3	-75.8	0	0	0	0	110.5	A129 W133 C406 Q435 F438	A129-C131 PolarHBondContact O-N 2.95Å; C131-W133 PolarHBondContact O-N 3.32Å; C131-C406 HydrophobicContact CB-CB 3.76Å; C131-C406 WeakPolarHBondContact CB-SG 3.07Å; C131-C406 WeakPolarHBondContact SG-CB 3.44Å; C131-C406 CovalentContact SG-SG 2.03Å; C131-C406 PolarHBondContact SG-SG 2.78Å; C131-Q435 PolarHBondContact SG-OE1 3.34Å; C131-Q435 VanDerWaalsContact SG-OE1 3.34Å; C131-F438 HydrophobicContact CB-CE2 4.26Å
132	R	59.1	Low	37.8	Very low	225 Å²	225	117.5 Å²	117.5	85%	0.849	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-70.6	127.6	169.3	-59.6	-173.4	-169.2	-135.1	0.6	109.4	D130	D130-R132 PolarHBondContact O-N 3.44Å
133	W	58.4	Low	38.2	Very low	77 Å²	77	112 Å²	112	29%	0.292	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-60.4	143.3	175.5	-65.5	98.7	0	0	0	111.8	T82 C131 S135 L294 I420 L423 A437 T441	T82-W133 HydrophobicContact CG2-CB 3.8Å; T82-W133 HydrophobicContact CG2-CG 4.26Å; C131-W133 PolarHBondContact O-N 3.32Å; W133-S135 PolarHBondContact O-N 3.09Å; W133-L294 HydrophobicContact CZ3-CD1 4.45Å; W133-I420 HydrophobicContact CE3-CD1 3.66Å; W133-I420 HydrophobicContact CZ3-CB 4.5Å; W133-I420 HydrophobicContact CZ3-CD1 3.41Å; W133-I420 VanDerWaalsContact CZ3-CD1 3.41Å; W133-L423 HydrophobicContact CH2-CD1 3.88Å; W133-L423 HydrophobicContact CH2-CD2 4.09Å; W133-L423 HydrophobicContact CZ3-CD1 4.38Å; W133-A437 HydrophobicContact CZ2-CB 4Å; W133-T441 VanDerWaalsContact CZ2-OG1 3.29Å; W133-T441 WeakPolarHBondContact CZ2-OG1 3Å
134	P	43.8	Very low	38.1	Very low	32 Å²	32	113.6 Å²	113.6	21%	0.208	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-56.2	136.2	178.9	-28.5	36.7	0	0	0	113.9	S136 D416	P134-S136 PolarHBondContact O-N 3.26Å; P134-D416 WeakPolarHBondContact CB-OD1 3.05Å; P134-D416 WeakPolarHBondContact CG-OD1 3Å
135	S	44.7	Very low	38.6	Very low	92 Å²	92	112.6 Å²	112.6	64%	0.643	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-70.2	127.5	-171.3	72	0	0	0	0	113	W133 K137	W133-S135 PolarHBondContact O-N 3.09Å; S135-K137 VanDerWaalsContact C-N 3.27Å; S135-K137 PolarHBondContact O-N 3.45Å
136	S	37.1	Very low	39	Very low	42 Å²	42	110 Å²	110	29%	0.294	55%	0.554	S	S	.	*			trans	-77.9	45.7	-166.2	60.9	0	0	0	0	116.2	P134 A138 L139	P134-S136 PolarHBondContact O-N 3.26Å; S136-A138 VanDerWaalsContact C-N 3.26Å; S136-A138 PolarHBondContact O-N 3.26Å; S136-A138 VanDerWaalsContact O-N 3.13Å; S136-L139 PolarHBondContact O-N 3Å
137	K	31.7	Very low	39.3	Very low	196 Å²	196	106 Å²	106	85%	0.852	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.7	-171	-73.2	-175.5	178.1	178.9	0	116	S135	S135-K137 VanDerWaalsContact C-N 3.27Å; S135-K137 PolarHBondContact O-N 3.45Å
138	A	34.8	Very low	39.6	Very low	80 Å²	80	99 Å²	99	66%	0.661	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.1	179.1	0	0	0	0	0	115	S136	S136-A138 VanDerWaalsContact C-N 3.26Å; S136-A138 PolarHBondContact O-N 3.26Å; S136-A138 VanDerWaalsContact O-N 3.13Å
139	L	32.3	Very low	39.6	Very low	46 Å²	46	101.7 Å²	101.7	24%	0.241	55%	0.546	C	S	.	.	G	3₁₀ helix	trans	-86.1	-23.7	-159.6	-97.6	46	0	0	0	115.7	R79 S136 R141 I142	R79-L139 HydrophobicContact CG-CD2 3.76Å; S136-L139 PolarHBondContact O-N 3Å; L139-R141 PolarHBondContact O-N 2.92Å; L139-R141 VanDerWaalsContact O-N 3.08Å; L139-I142 PolarHBondContact O-N 3.31Å
140	L	28.7	Very low	39	Very low	144 Å²	144	103.6 Å²	103.6	75%	0.754	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-63.9	-20.4	-168.6	-134.8	77	0	0	0	114.3
141	R	29.4	Very low	38	Very low	222 Å²	222	104.1 Å²	104.1	84%	0.838	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-83.8	-18.1	-179.4	-70.2	-174.5	173.7	-174.5	-2.5	114.7	L139	L139-R141 PolarHBondContact O-N 2.92Å; L139-R141 VanDerWaalsContact O-N 3.08Å
142	I	36	Very low	37	Very low	107 Å²	107	111.4 Å²	111.4	55%	0.549	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88	-37.7	-174.8	-60.9	175.5	0	0	0	111.2	L139 L144 I145	L139-I142 PolarHBondContact O-N 3.31Å; I142-L144 VanDerWaalsContact C-N 3.28Å; I142-L144 PolarHBondContact O-N 3.11Å; I142-I145 PolarHBondContact O-N 2.78Å
143	I	34.6	Very low	36	Very low	75 Å²	75	105.5 Å²	105.5	39%	0.385	61%	0.608	S	S	.	*	H	α-helix	trans	-64.6	-31.1	-172.3	-61.3	173.7	0	0	0	112.3	I145	I143-I145 VanDerWaalsContact C-N 3.31Å; I143-I145 PolarHBondContact O-N 2.84Å
144	L	31.1	Very low	34.5	Very low	138 Å²	138	105.7 Å²	105.7	72%	0.723	63%	0.634	S	S	*	*	H	α-helix	trans	-72.8	-15.7	-179.3	-98.8	153	0	0	0	115	I142	I142-L144 VanDerWaalsContact C-N 3.28Å; I142-L144 PolarHBondContact O-N 3.11Å
145	I	36.9	Very low	33.8	Very low	119 Å²	119	113.3 Å²	113.3	61%	0.61	67%	0.667	S	S	*	*	H	α-helix	trans	-96.1	-28.2	-173.5	-60.3	174.1	0	0	0	111.7	I142 I143 T148	I142-I145 PolarHBondContact O-N 2.78Å; I143-I145 VanDerWaalsContact C-N 3.31Å; I143-I145 PolarHBondContact O-N 2.84Å; I145-T148 PolarHBondContact O-OG1 2.93Å
146	A	33.4	Very low	33	Very low	67 Å²	67	115.9 Å²	115.9	55%	0.554	68%	0.679	S	S	*	*	H	α-helix	trans	-75	-33.8	-178.5	0	0	0	0	0	113.5	T148	A146-T148 VanDerWaalsContact C-N 3.32Å; A146-T148 PolarHBondContact O-N 3.37Å
147	C	34	Very low	32.6	Very low	102 Å²	102	118.4 Å²	118.4	69%	0.689	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-7.2	-171.4	-62.3	0	0	0	0	115.2
148	T	33.4	Very low	32.3	Very low	105 Å²	105	113.5 Å²	113.5	64%	0.644	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-13.4	-171.6	50.8	0	0	0	0	114.4	I145 A146	I145-T148 PolarHBondContact O-OG1 2.93Å; A146-T148 VanDerWaalsContact C-N 3.32Å; A146-T148 PolarHBondContact O-N 3.37Å
149	T	35.7	Very low	32.2	Very low	106 Å²	106	121 Å²	121	65%	0.65	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-17.1	-170.4	49.3	0	0	0	0	114.6	C151	T149-C151 PolarHBondContact O-N 3.4Å
150	A	34.7	Very low	32.3	Very low	90 Å²	90	125.3 Å²	125.3	74%	0.744	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-13.9	-172.3	0	0	0	0	0	115.6	L152	A150-L152 PolarHBondContact O-N 2.87Å
151	C	34.5	Very low	32.9	Very low	113 Å²	113	121.2 Å²	121.2	76%	0.764	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	1.2	-168.7	-63.2	0	0	0	0	115.8	T149	T149-C151 PolarHBondContact O-N 3.4Å
152	L	33.6	Very low	33.2	Very low	161 Å²	161	115.1 Å²	115.1	84%	0.843	70%	0.701	S	S	*	*	S	Bend	trans	-138.6	61.1	-164.9	-68.7	175.4	0	0	0	115.3	A150	A150-L152 PolarHBondContact O-N 2.87Å
153	A	37	Very low	33.5	Very low	101 Å²	101	115.8 Å²	115.8	84%	0.835	70%	0.7	S	S	*	*			trans	-174.9	115	148.3	0	0	0	0	0	112
154	G	27.4	Very low	33.2	Very low	81 Å²	81	114.5 Å²	114.5	84%	0.835	71%	0.705	S	S	*	*			trans	-99	109.1	165.7	0	0	0	0	0	110.9
155	Q	29.5	Very low	33	Very low	193 Å²	193	119.2 Å²	119.2	90%	0.902	71%	0.713	S	S	*	*			trans	-153.8	153.9	168.7	-110.6	166.6	17.7	0	0	111.1	A157	Q155-A157 PolarHBondContact O-N 3.5Å
156	T	27.3	Very low	32.9	Very low	145 Å²	145	119.5 Å²	119.5	89%	0.89	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-65.5	124.4	-166.6	49.2	0	0	0	0	113.3
157	A	28.4	Very low	32.5	Very low	96 Å²	96	126.1 Å²	126.1	79%	0.793	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-78.3	124.5	-174.5	0	0	0	0	0	113.4	Q155	Q155-A157 PolarHBondContact O-N 3.5Å
158	S	26.4	Very low	32.4	Very low	93 Å²	93	125.7 Å²	125.7	65%	0.65	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-79	151.3	151.5	-178.2	0	0	0	0	109.2	N160	S158-N160 PolarHBondContact O-N 3.46Å
159	Y	32.2	Very low	32.2	Very low	236 Å²	236	127.2 Å²	127.2	93%	0.925	74%	0.737	S	S	*	*	S	Bend	trans	-73.1	55.5	-172.2	-61.7	-82.9	0	0	0	114.4
160	N	34.7	Very low	31.9	Very low	137 Å²	137	131.2 Å²	131.2	73%	0.733	75%	0.745	S	S	*	*	S	Bend	trans	-88.1	143.8	164.5	-71.9	-46.3	0	0	0	109.6	S158	S158-N160 PolarHBondContact O-N 3.46Å
161	C	40.1	Very low	31.7	Very low	58 Å²	58	133.2 Å²	133.2	39%	0.392	75%	0.748	S	S	.	*			trans	-42.6	124.2	-170.9	-74.6	0	0	0	0	115.2	F163 G164 C179	C161-F163 PolarHBondContact O-N 2.85Å; C161-G164 PolarHBondContact O-N 2.83Å; C161-C179 HydrophobicContact CB-CB 4.39Å; C161-C179 WeakPolarHBondContact CB-SG 3.27Å; C161-C179 WeakPolarHBondContact SG-CB 3.23Å; C161-C179 CovalentContact SG-SG 2.02Å; C161-C179 PolarHBondContact SG-SG 2.73Å
162	P	37.1	Very low	31.4	Very low	94 Å²	94	135.2 Å²	135.2	61%	0.61	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-19.3	-174.3	-30.1	36.4	0	0	0	116.9
163	F	42.3	Very low	31.1	Very low	122 Å²	122	134.5 Å²	134.5	54%	0.535	75%	0.747	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.4	14.3	179.5	-60.9	-76	0	0	0	113.4	C161 R165	C161-F163 PolarHBondContact O-N 2.85Å; F163-R165 PolarHBondContact O-N 3.04Å
164	G	28.1	Very low	30.7	Very low	47 Å²	47	137.4 Å²	137.4	49%	0.485	74%	0.744	S	S	.	*			trans	-87.9	43.3	-170.2	0	0	0	0	0	116.9	C161	C161-G164 PolarHBondContact O-N 2.83Å
165	R	26.3	Very low	31	Very low	238 Å²	238	140.7 Å²	140.7	90%	0.898	74%	0.737	S	S	*	*			trans	-146	99.4	169.7	-85	-165.4	176.4	-178	-0.2	113.5	F163	F163-R165 PolarHBondContact O-N 3.04Å
166	I	34.8	Very low	31.2	Very low	125 Å²	125	136.6 Å²	136.6	64%	0.641	72%	0.721	S	S	*	*			trans	-131.7	82.4	151.1	-55.6	178.3	0	0	0	108.1	S168	I166-S168 PolarHBondContact O-N 3.22Å
167	Q	26	Very low	32	Very low	206 Å²	206	136.5 Å²	136.5	96%	0.963	71%	0.706	S	S	*	*			trans	-81.2	102.2	152.9	-86.5	-174.4	-34.1	0	0	107.4
168	S	31.1	Very low	32.9	Very low	92 Å²	92	139.5 Å²	139.5	64%	0.643	70%	0.701	S	S	*	*			trans	-104.3	139.1	159.6	55.6	0	0	0	0	108.9	I166	I166-S168 PolarHBondContact O-N 3.22Å
169	D	29.2	Very low	34	Very low	138 Å²	138	137 Å²	137	74%	0.738	68%	0.683	S	S	*	*			trans	-67.5	172.6	-171	-150.6	-17.2	0	0	0	113.1	T171	D169-T171 PolarHBondContact O-N 2.65Å
170	K	30.4	Very low	35.4	Very low	189 Å²	189	128.1 Å²	128.1	82%	0.822	65%	0.649	S	S	*	*	S	Bend	trans	-60.9	82.5	-168	-57.7	151.9	-172.1	162.4	0	113.9
171	T	29.3	Very low	37.1	Very low	132 Å²	132	130.3 Å²	130.3	81%	0.81	66%	0.655	S	S	*	*	S	Bend	trans	-167.2	114.1	145.1	11.8	0	0	0	0	112	D169	D169-T171 PolarHBondContact O-N 2.65Å
172	L	28.5	Very low	39.3	Very low	156 Å²	156	130.3 Å²	130.3	82%	0.817	65%	0.651	S	S	*	*	S	Bend	trans	56	128.6	155	-148.2	74.2	0	0	0	118.6
173	N	26.3	Very low	42	Very low	146 Å²	146	128 Å²	128	78%	0.781	64%	0.636	S	S	*	*			trans	82.6	106.9	-177.5	-44.8	-68.5	0	0	0	114.5
174	Q	28.6	Very low	44.6	Very low	161 Å²	161	122.3 Å²	122.3	75%	0.752	61%	0.611	S	S	*	*			trans	-128.2	104.2	-176.1	-170.9	173.9	6.5	0	0	110.3	D176	Q174-D176 WeakPolarHBondContact CG-OD2 3.38Å; Q174-D176 PolarHBondContact NE2-OD2 2.63Å
175	H	33.8	Very low	47.9	Very low	151 Å²	151	122 Å²	122	70%	0.699	60%	0.597	S	S	*	*			trans	-109.2	71.4	166.1	-86.3	-71.3	0	0	0	108.9	Y177	H175-Y177 HydrophobicContact CB-CE2 4.16Å; H175-Y177 WeakPolarHBondContact O-CD2 3.43Å; H175-Y177 PolarHBondContact O-N 3.41Å; H175-Y177 VanDerWaalsContact O-N 3.11Å
176	D	33.6	Very low	51.4	Low	107 Å²	107	110.7 Å²	110.7	57%	0.572	55%	0.554	S	S	*	*			trans	-69.5	101.8	171.3	-93.1	-51.9	0	0	0	110.1	Q174 K178	Q174-D176 WeakPolarHBondContact CG-OD2 3.38Å; Q174-D176 PolarHBondContact NE2-OD2 2.63Å; D176-K178 PolarHBondContact O-N 3.35Å
177	Y	45.5	Very low	54.4	Low	142 Å²	142	104.7 Å²	104.7	56%	0.557	52%	0.523	S	S	*	.			trans	-74.3	73.3	169.4	-68.9	-80.8	0	0	0	109.9	H175 C179	H175-Y177 HydrophobicContact CB-CE2 4.16Å; H175-Y177 WeakPolarHBondContact O-CD2 3.43Å; H175-Y177 PolarHBondContact O-N 3.41Å; H175-Y177 VanDerWaalsContact O-N 3.11Å; Y177-C179 PolarHBondContact O-N 2.87Å
178	K	46.9	Very low	57.8	Low	159 Å²	159	95 Å²	95	69%	0.691	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-65.2	123.8	171.6	-178.3	174	-179.1	177	0	109	D176 F180	D176-K178 PolarHBondContact O-N 3.35Å; K178-F180 WeakPolarHBondContact O-CD2 3.42Å; K178-F180 VanDerWaalsContact O-CE2 3.28Å; K178-F180 WeakPolarHBondContact O-CE2 3.42Å; K178-F180 WeakPolarHBondContact O-CZ 3.29Å; K178-F180 PolarHBondContact O-N 3.21Å
179	C	50.2	Low	60.9	Low	42 Å²	42	91.1 Å²	91.1	28%	0.284	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-61.4	132.7	171.2	-70	0	0	0	0	111.1	C161 Y177	C161-C179 HydrophobicContact CB-CB 4.39Å; C161-C179 WeakPolarHBondContact CB-SG 3.27Å; C161-C179 WeakPolarHBondContact SG-CB 3.23Å; C161-C179 CovalentContact SG-SG 2.02Å; C161-C179 PolarHBondContact SG-SG 2.73Å; Y177-C179 PolarHBondContact O-N 2.87Å
180	F	61.4	Low	64	Low	48 Å²	48	84.5 Å²	84.5	21%	0.211	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-97	119.2	175.1	-51.2	-78	0	0	0	108.9	K178 D182 S211 E298 Q302	K178-F180 WeakPolarHBondContact O-CD2 3.42Å; K178-F180 VanDerWaalsContact O-CE2 3.28Å; K178-F180 WeakPolarHBondContact O-CE2 3.42Å; K178-F180 WeakPolarHBondContact O-CZ 3.29Å; K178-F180 PolarHBondContact O-N 3.21Å; F180-D182 HydrophobicContact CB-CB 4.48Å; F180-D182 PolarHBondContact O-N 3.38Å; F180-S211 PolarHBondContact O-OG 3.49Å; F180-E298 HydrophobicContact CD2-CB 3.61Å; F180-E298 HydrophobicContact CD2-CG 3.75Å; F180-E298 HydrophobicContact CE2-CB 4.11Å; F180-E298 HydrophobicContact CE2-CG 4.01Å; F180-E298 HydrophobicContact CG-CB 4.45Å; F180-Q302 HydrophobicContact CD1-CG 3.9Å; F180-Q302 VanDerWaalsContact CD1-NE2 3.27Å; F180-Q302 HydrophobicContact CD2-CG 4.43Å; F180-Q302 HydrophobicContact CE1-CG 3.48Å; F180-Q302 VanDerWaalsContact CE1-CG 3.48Å; F180-Q302 HydrophobicContact CE2-CG 4.04Å; F180-Q302 HydrophobicContact CG-CG 4.35Å; F180-Q302 HydrophobicContact CZ-CG 3.55Å
181	E	70	Confident	66.6	Low	183 Å²	183	76.1 Å²	76.1	86%	0.855	38%	0.38	S	S	*	.			trans	-72.2	-18.3	173	-62.8	172.5	178.1	0	0	111.3	T183	E181-T183 PolarHBondContact O-N 3.45Å
182	D	85.5	Confident	69.2	Low	59 Å²	59	76 Å²	76	32%	0.316	37%	0.368	S	S	.	.	S	Bend	trans	-53.4	126.6	171.9	-53.7	-46.1	0	0	0	110.4	F180 V184 Q302 K305	F180-D182 HydrophobicContact CB-CB 4.48Å; F180-D182 PolarHBondContact O-N 3.38Å; D182-V184 PolarHBondContact O-N 3.29Å; D182-Q302 PolarHBondContact OD2-NE2 2.89Å; D182-K305 IonicContact OD1-NZ 3.57Å; D182-K305 WeakPolarHBondContact OD2-CE 3.34Å; D182-K305 IonicContact OD2-NZ 3.29Å; D182-K305 PolarHBondContact OD2-NZ 2.7Å
183	T	94.5	Very high	71.7	Confident	46 Å²	46	76.5 Å²	76.5	28%	0.282	37%	0.367	S	S	.	.			trans	-78.7	121.9	172.6	-60	0	0	0	0	110	E181 H185 P212 H214 W301	E181-T183 PolarHBondContact O-N 3.45Å; T183-H185 PolarHBondContact O-CD2 3.24Å; T183-H185 PolarHBondContact O-N 3.34Å; T183-P212 CarbonylContact C-O 3.56Å; T183-P212 WeakPolarHBondContact CA-O 3.34Å; T183-P212 HydrophobicContact CG2-CB 4.28Å; T183-H214 HydrophobicContact CG2-CB 4.15Å; T183-W301 VanDerWaalsContact O-CZ2 3.25Å; T183-W301 WeakPolarHBondContact O-CZ2 3.32Å
184	V	96.9	Very high	74.6	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.006	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	113.8	175	178.7	0	0	0	0	109	D182 P212 M213 H214 V297 E298 W301	D182-V184 PolarHBondContact O-N 3.29Å; V184-P212 PolarHBondContact N-O 3.01Å; V184-M213 HydrophobicContact CB-CE 4.45Å; V184-M213 HydrophobicContact CG1-CE 4.12Å; V184-M213 CarbonylContact O-C 3.58Å; V184-M213 VanDerWaalsContact O-CA 3.27Å; V184-M213 WeakPolarHBondContact O-CA 3.29Å; V184-M213 WeakPolarHBondContact O-CG 3.49Å; V184-H214 PolarHBondContact O-N 3.23Å; V184-V297 HydrophobicContact CG1-CB 4.47Å; V184-V297 HydrophobicContact CG1-CG1 3.83Å; V184-E298 HydrophobicContact CG2-CB 4.23Å; V184-W301 HydrophobicContact CB-CD2 4.37Å; V184-W301 HydrophobicContact CB-CE3 4.46Å; V184-W301 HydrophobicContact CG1-CD2 4.22Å; V184-W301 HydrophobicContact CG1-CE3 3.92Å; V184-W301 HydrophobicContact CG2-CB 4.13Å; V184-W301 HydrophobicContact CG2-CD2 4.26Å; V184-W301 HydrophobicContact CG2-CG 3.96Å
185	H	98.4	Very high	77.5	Confident	41 Å²	41	65 Å²	65	19%	0.19	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	107.9	172.3	-65.4	-90.5	0	0	0	109.8	T183 H214 H216 V281 V284 L285 W301	T183-H185 PolarHBondContact O-CD2 3.24Å; T183-H185 PolarHBondContact O-N 3.34Å; H185-H214 CarbonylContact C-O 3.56Å; H185-H214 WeakPolarHBondContact CA-O 3.4Å; H185-H214 AromaticContact CE1-ND1 3.61Å; H185-H214 WeakPolarHBondContact ND1-CB 3.4Å; H185-H214 AromaticContact ND1-CG 3.74Å; H185-H214 AromaticContact ND1-ND1 3.68Å; H185-H216 WeakPolarHBondContact CB-NE2 3.06Å; H185-H216 AromaticContact CE1-NE2 3.53Å; H185-H216 AromaticContact CG-NE2 3.07Å; H185-H216 AromaticContact ND1-CE1 3.87Å; H185-H216 AromaticContact ND1-NE2 2.51Å; H185-H216 PolarHBondContact ND1-NE2 2.83Å; H185-V281 HydrophobicContact CB-CG1 4.41Å; H185-V284 HydrophobicContact CB-CB 4.48Å; H185-V284 HydrophobicContact CB-CG1 3.96Å; H185-V284 CarbonylContact O-C 3.32Å; H185-V284 VanDerWaalsContact O-CA 3.3Å; H185-V284 WeakPolarHBondContact O-CA 3.28Å; H185-L285 PolarHBondContact O-N 3.18Å; H185-W301 HydrophobicContact CB-CH2 3.84Å; H185-W301 HydrophobicContact CB-CZ3 4.18Å; H185-W301 AromaticContact CD2-CH2 3.98Å; H185-W301 VanDerWaalsContact N-CH2 3.32Å; H185-W301 VanDerWaalsContact N-CZ3 3.34Å; H185-W301 WeakPolarHBondContact O-CZ3 3.17Å
186	L	98.6	Very high	80.3	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.7	-177.9	175.5	62.2	0	0	0	109.5	M201 A205 M213 H214 L215 H216 L285 V287 F293	L186-M201 HydrophobicContact CD2-SD 4.37Å; L186-A205 HydrophobicContact CD2-CB 3.39Å; L186-M213 HydrophobicContact CB-SD 4.48Å; L186-M213 HydrophobicContact CD2-CE 4.32Å; L186-M213 HydrophobicContact CD2-SD 4.14Å; L186-H214 PolarHBondContact N-O 3.49Å; L186-L215 HydrophobicContact CB-CD2 4.18Å; L186-L215 HydrophobicContact CD2-CD2 3.84Å; L186-L215 HydrophobicContact CG-CD2 4.24Å; L186-L215 CarbonylContact O-C 3.57Å; L186-L215 WeakPolarHBondContact O-CA 3.35Å; L186-H216 PolarHBondContact O-N 2.81Å; L186-L285 CarbonylContact C-O 3.47Å; L186-L285 WeakPolarHBondContact CA-O 3.37Å; L186-L285 HydrophobicContact CD1-CB 4.43Å; L186-L285 HydrophobicContact CD1-CD2 4.09Å; L186-L285 HydrophobicContact CD1-CG 4.07Å; L186-L285 WeakPolarHBondContact CD1-O 3.47Å; L186-V287 HydrophobicContact CD1-CG1 4.36Å; L186-V287 HydrophobicContact CD1-CG2 3.86Å; L186-F293 HydrophobicContact CD1-CE2 4.35Å; L186-F293 HydrophobicContact CD1-CZ 4.07Å; L186-F293 HydrophobicContact CD2-CE2 4.28Å
187	A	98.5	Very high	83.2	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139	-179.1	0	0	0	0	0	111.5	H216 F218 I274 V284 L285 Y286 V287	A187-H216 WeakPolarHBondContact CA-O 3.14Å; A187-H216 HydrophobicContact CB-CB 4.24Å; A187-F218 HydrophobicContact CB-CE2 4.42Å; A187-I274 HydrophobicContact CB-CD1 4.24Å; A187-V284 HydrophobicContact CB-CB 4.07Å; A187-V284 HydrophobicContact CB-CG1 4.42Å; A187-V284 HydrophobicContact CB-CG2 4.06Å; A187-L285 PolarHBondContact N-O 2.88Å; A187-Y286 HydrophobicContact CB-CD2 4.47Å; A187-Y286 WeakPolarHBondContact O-CA 3.45Å; A187-V287 PolarHBondContact O-N 3.03Å; A187-V287 VanDerWaalsContact O-N 3.11Å
188	V	97.6	Very high	85.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147.1	-179.9	59.5	0	0	0	0	110.3	V190 M201 I202 H216 I217 F218 I289	V188-V190 HydrophobicContact CG1-CG2 4.43Å; V188-V190 HydrophobicContact CG2-CG2 4Å; V188-M201 HydrophobicContact CB-CE 3.59Å; V188-M201 HydrophobicContact CG1-CE 4.05Å; V188-M201 HydrophobicContact CG2-CE 3.39Å; V188-I202 HydrophobicContact CG1-CD1 4.35Å; V188-H216 PolarHBondContact N-O 2.81Å; V188-I217 HydrophobicContact CG1-CB 4.29Å; V188-I217 HydrophobicContact CG1-CG1 3.95Å; V188-I217 HydrophobicContact CG1-CG2 4.26Å; V188-F218 PolarHBondContact O-N 3.43Å; V188-I289 HydrophobicContact CG2-CG2 3.41Å; V188-I289 VanDerWaalsContact CG2-CG2 3.41Å
189	V	96	Very high	87.9	Confident	11 Å²	11	42.2 Å²	42.2	7%	0.067	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129	172.6	177.6	0	0	0	0	109.4	F218 I250 C267 Q270 Y286 I289	V189-F218 CarbonylContact C-O 3.58Å; V189-F218 WeakPolarHBondContact CA-O 3.47Å; V189-F218 HydrophobicContact CB-CB 4.5Å; V189-F218 HydrophobicContact CG2-CB 3.94Å; V189-F218 HydrophobicContact CG2-CG 4.44Å; V189-I250 HydrophobicContact CG1-CD1 4.05Å; V189-C267 HydrophobicContact CG1-CB 3.66Å; V189-C267 WeakPolarHBondContact CG1-O 3.27Å; V189-Q270 HydrophobicContact CB-CB 4.49Å; V189-Q270 HydrophobicContact CG1-CB 3.93Å; V189-Q270 HydrophobicContact CG1-CG 4.25Å; V189-Q270 HydrophobicContact CG2-CB 3.73Å; V189-Q270 HydrophobicContact CG2-CG 3.65Å; V189-Y286 HydrophobicContact CG2-CE2 3.91Å; V189-I289 VanDerWaalsContact O-CG2 3.26Å; V189-I289 WeakPolarHBondContact O-CG2 3.46Å
190	V	93.3	Very high	90.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.6	-176.3	-166.7	0	0	0	0	108.9	V188 Y195 A198 I217 F218 T219 I227 I289	V188-V190 HydrophobicContact CG1-CG2 4.43Å; V188-V190 HydrophobicContact CG2-CG2 4Å; V190-Y195 HydrophobicContact CG1-CD1 3.62Å; V190-Y195 HydrophobicContact CG1-CE1 3.89Å; V190-A198 HydrophobicContact CB-CB 4.26Å; V190-A198 HydrophobicContact CG1-CB 3.69Å; V190-A198 HydrophobicContact CG2-CB 3.5Å; V190-I217 HydrophobicContact CG2-CG2 4.12Å; V190-F218 PolarHBondContact N-O 3.39Å; V190-T219 WeakPolarHBondContact O-CA 3.36Å; V190-T219 PolarHBondContact O-OG1 3.49Å; V190-I227 HydrophobicContact CB-CD1 4.21Å; V190-I227 HydrophobicContact CG1-CD1 3.99Å; V190-I289 HydrophobicContact CG2-CG2 4.09Å
191	C	86.6	Confident	91.9	Very high	13 Å²	13	38.1 Å²	38.1	9%	0.088	18%	0.183	C	C	.	.			trans	-143	147.3	176.1	-78.2	0	0	0	0	111.5	D220 I250 C267	C191-D220 VanDerWaalsContact CA-OD2 3.27Å; C191-D220 WeakPolarHBondContact CA-OD2 3.39Å; C191-I250 VanDerWaalsContact SG-CD1 3.6Å; C191-I250 VanDerWaalsContact SG-CG1 3.57Å; C191-C267 HydrophobicContact CB-CB 3.61Å; C191-C267 WeakPolarHBondContact CB-SG 3.43Å; C191-C267 WeakPolarHBondContact SG-CB 3.4Å; C191-C267 CovalentContact SG-SG 2.03Å; C191-C267 PolarHBondContact SG-SG 2.96Å
192	K	81.9	Confident	93.2	Very high	130 Å²	130	29.4 Å²	29.4	57%	0.565	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	-165.6	-173.4	-53	-172.2	-180	-176.1	0	111.2	R194 Y195 D220 P266	K192-R194 PolarHBondContact O-N 3.39Å; K192-Y195 VanDerWaalsContact C-CE2 3.5Å; K192-Y195 WeakPolarHBondContact O-CD2 3.25Å; K192-Y195 WeakPolarHBondContact O-CE2 3.45Å; K192-Y195 PolarHBondContact O-OH 3.39Å; K192-D220 PolarHBondContact N-OD2 3.18Å; K192-P266 HydrophobicContact CD-CB 4.07Å; K192-P266 HydrophobicContact CD-CG 4Å; K192-P266 HydrophobicContact CG-CB 4.48Å
193	E	82.8	Confident	93.7	Very high	166 Å²	166	28.2 Å²	28.2	78%	0.776	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	1.4	-160.5	-62	169.5	177.9	0	0	117.4	Y195	E193-Y195 PolarHBondContact O-N 2.59Å
194	R	86.1	Confident	93.8	Very high	62 Å²	62	26 Å²	26	23%	0.234	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	28.5	-177.3	-57.3	-168.1	68.2	-170.3	13.5	114.5	K192 E197 A198 I289 D290	K192-R194 PolarHBondContact O-N 3.39Å; R194-E197 VanDerWaalsContact CB-OE2 3.32Å; R194-E197 WeakPolarHBondContact CB-OE2 3.42Å; R194-E197 WeakPolarHBondContact CG-OE2 3.29Å; R194-E197 IonicContact CZ-OE1 2.84Å; R194-E197 IonicContact CZ-OE2 2.79Å; R194-E197 IonicContact NE-OE1 2.97Å; R194-E197 IonicContact NE-OE2 3.81Å; R194-E197 PolarHBondContact NE-OE2 3.26Å; R194-E197 VanDerWaalsContact NH2-CD 3.29Å; R194-E197 IonicContact NH2-OE1 2.87Å; R194-E197 PolarHBondContact NH2-OE1 2.98Å; R194-E197 IonicContact NH2-OE2 3.39Å; R194-E197 PolarHBondContact NH2-OE2 3.01Å; R194-E197 PolarHBondContact O-N 3.34Å; R194-A198 PolarHBondContact O-N 3.01Å; R194-I289 HydrophobicContact CB-CD1 3.38Å; R194-I289 HydrophobicContact CG-CD1 4.18Å; R194-D290 IonicContact CZ-OD2 3.01Å; R194-D290 IonicContact NH1-OD2 2.74Å; R194-D290 PolarHBondContact NH1-OD2 3.09Å; R194-D290 IonicContact NH2-OD2 3.68Å; R194-D290 PolarHBondContact NH2-OD2 3.46Å
195	Y	90.2	Very high	93.8	Very high	2 Å²	2	26 Å²	26	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-64.7	-42	-174.9	-59.2	-70.2	0	0	0	113.2	V190 K192 E193 E197 A198 L199 D220 R223 I227	V190-Y195 HydrophobicContact CG1-CD1 3.62Å; V190-Y195 HydrophobicContact CG1-CE1 3.89Å; K192-Y195 VanDerWaalsContact C-CE2 3.5Å; K192-Y195 WeakPolarHBondContact O-CD2 3.25Å; K192-Y195 WeakPolarHBondContact O-CE2 3.45Å; K192-Y195 PolarHBondContact O-OH 3.39Å; E193-Y195 PolarHBondContact O-N 2.59Å; Y195-E197 PolarHBondContact O-N 3.36Å; Y195-A198 PolarHBondContact O-N 3.24Å; Y195-L199 WeakPolarHBondContact O-CG 3.28Å; Y195-L199 PolarHBondContact O-N 3.04Å; Y195-D220 PolarHBondContact OH-OD1 2.74Å; Y195-D220 VanDerWaalsContact OH-OD1 3.1Å; Y195-R223 HydrophobicContact CD1-CB 4.01Å; Y195-R223 HydrophobicContact CD2-CB 4.09Å; Y195-R223 VanDerWaalsContact CD2-CD 3.42Å; Y195-R223 HydrophobicContact CD2-CG 3.9Å; Y195-R223 HydrophobicContact CE1-CB 3.71Å; Y195-R223 HydrophobicContact CE1-CG 4.37Å; Y195-R223 HydrophobicContact CE2-CB 3.76Å; Y195-R223 HydrophobicContact CE2-CG 3.47Å; Y195-R223 VanDerWaalsContact CE2-CG 3.47Å; Y195-R223 HydrophobicContact CG-CB 4.19Å; Y195-R223 HydrophobicContact CG-CG 4.48Å; Y195-I227 HydrophobicContact CD1-CD1 3.75Å; Y195-I227 HydrophobicContact CD1-CG1 3.88Å; Y195-I227 HydrophobicContact CE1-CD1 3.9Å; Y195-I227 HydrophobicContact CE1-CG1 4.41Å
196	D	92.7	Very high	93.6	Very high	68 Å²	68	24.3 Å²	24.3	36%	0.364	11%	0.113	S	C	.	.	H	α-helix	trans	-53	-39.9	175.8	-74.8	38.3	0	0	0	112.7	T200 Y442 K446	D196-T200 VanDerWaalsContact O-CB 3.31Å; D196-T200 WeakPolarHBondContact O-CB 3.49Å; D196-T200 PolarHBondContact O-N 3.28Å; D196-T200 PolarHBondContact O-OG1 3.09Å; D196-Y442 PolarHBondContact O-OH 3.3Å; D196-K446 WeakPolarHBondContact OD2-CE 3.25Å; D196-K446 IonicContact OD2-NZ 3.5Å; D196-K446 PolarHBondContact OD2-NZ 3.39Å
197	E	94.3	Very high	93.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-70	-46.9	-178.5	-66.8	165.7	112.6	0	0	110	R194 Y195 L199 T200 M201 I289 K431 Y442	R194-E197 VanDerWaalsContact CB-OE2 3.32Å; R194-E197 WeakPolarHBondContact CB-OE2 3.42Å; R194-E197 WeakPolarHBondContact CG-OE2 3.29Å; R194-E197 IonicContact CZ-OE1 2.84Å; R194-E197 IonicContact CZ-OE2 2.79Å; R194-E197 IonicContact NE-OE1 2.97Å; R194-E197 IonicContact NE-OE2 3.81Å; R194-E197 PolarHBondContact NE-OE2 3.26Å; R194-E197 VanDerWaalsContact NH2-CD 3.29Å; R194-E197 IonicContact NH2-OE1 2.87Å; R194-E197 PolarHBondContact NH2-OE1 2.98Å; R194-E197 IonicContact NH2-OE2 3.39Å; R194-E197 PolarHBondContact NH2-OE2 3.01Å; R194-E197 PolarHBondContact O-N 3.34Å; Y195-E197 PolarHBondContact O-N 3.36Å; E197-L199 PolarHBondContact O-N 2.82Å; E197-T200 PolarHBondContact O-N 2.79Å; E197-M201 WeakPolarHBondContact O-CB 3.34Å; E197-M201 PolarHBondContact O-N 3Å; E197-I289 CarbonylContact C-O 3.56Å; E197-I289 HydrophobicContact CB-CB 4.44Å; E197-K431 WeakPolarHBondContact OE1-CE 3.43Å; E197-K431 IonicContact OE1-NZ 2.71Å; E197-K431 PolarHBondContact OE1-NZ 3.04Å; E197-K431 WeakPolarHBondContact OE2-CE 3.18Å; E197-K431 IonicContact OE2-NZ 3.16Å; E197-K431 PolarHBondContact OE2-NZ 2.92Å; E197-Y442 WeakPolarHBondContact CA-OH 3.43Å; E197-Y442 HydrophobicContact CG-CE2 4.26Å; E197-Y442 WeakPolarHBondContact CG-OH 3.05Å; E197-Y442 PolarHBondContact N-OH 2.87Å
198	A	95.3	Very high	92.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-43.6	174.6	0	0	0	0	0	112.8	V190 R194 Y195 M201 I202 I289	V190-A198 HydrophobicContact CB-CB 4.26Å; V190-A198 HydrophobicContact CG1-CB 3.69Å; V190-A198 HydrophobicContact CG2-CB 3.5Å; R194-A198 PolarHBondContact O-N 3.01Å; Y195-A198 PolarHBondContact O-N 3.24Å; A198-M201 PolarHBondContact O-N 3.2Å; A198-I202 WeakPolarHBondContact O-CB 3.49Å; A198-I202 WeakPolarHBondContact O-CD1 3.43Å; A198-I202 WeakPolarHBondContact O-CG1 3.3Å; A198-I202 PolarHBondContact O-N 2.85Å; A198-I289 HydrophobicContact CB-CB 4.19Å; A198-I289 HydrophobicContact CB-CG2 3.6Å
199	L	96.4	Very high	92.4	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.063	12%	0.119	C	C	.	.	H	α-helix	trans	-65	-41.1	176.8	-71	176.6	0	0	0	111.7	Y195 E197 I202 K203 I227 E230 V231 Y234	Y195-L199 WeakPolarHBondContact O-CG 3.28Å; Y195-L199 PolarHBondContact O-N 3.04Å; E197-L199 PolarHBondContact O-N 2.82Å; L199-I202 PolarHBondContact O-N 3.22Å; L199-K203 WeakPolarHBondContact O-CB 3.5Å; L199-K203 PolarHBondContact O-N 2.93Å; L199-I227 HydrophobicContact CD2-CG2 4.37Å; L199-E230 HydrophobicContact CD1-CB 4.09Å; L199-E230 HydrophobicContact CD1-CG 3.92Å; L199-E230 HydrophobicContact CD2-CB 3.63Å; L199-E230 HydrophobicContact CD2-CG 4.37Å; L199-V231 HydrophobicContact CD2-CG2 3.79Å; L199-Y234 HydrophobicContact CD2-CE2 4.31Å
200	T	96.7	Very high	92	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-68.1	-38.7	177.9	-52.1	0	0	0	0	111.5	D196 E197 S204 I292 Y442 I445 K446	D196-T200 VanDerWaalsContact O-CB 3.31Å; D196-T200 WeakPolarHBondContact O-CB 3.49Å; D196-T200 PolarHBondContact O-N 3.28Å; D196-T200 PolarHBondContact O-OG1 3.09Å; E197-T200 PolarHBondContact O-N 2.79Å; T200-S204 PolarHBondContact O-N 3.21Å; T200-I292 HydrophobicContact CG2-CD1 3.74Å; T200-Y442 HydrophobicContact CG2-CD2 3.83Å; T200-Y442 HydrophobicContact CG2-CE2 3.64Å; T200-Y442 HydrophobicContact CG2-CG 4.43Å; T200-Y442 PolarHBondContact OG1-OH 3.46Å; T200-I445 HydrophobicContact CG2-CB 3.9Å; T200-I445 HydrophobicContact CG2-CG2 3.55Å; T200-I445 WeakPolarHBondContact O-CG2 3.37Å; T200-K446 HydrophobicContact CG2-CB 3.93Å
201	M	97.2	Very high	91.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.6	-53.6	171.2	-178.1	-75.3	-71.1	0	0	111.1	L186 V188 E197 A198 K203 S204 A205 V287 V291 F293	L186-M201 HydrophobicContact CD2-SD 4.37Å; V188-M201 HydrophobicContact CB-CE 3.59Å; V188-M201 HydrophobicContact CG1-CE 4.05Å; V188-M201 HydrophobicContact CG2-CE 3.39Å; E197-M201 WeakPolarHBondContact O-CB 3.34Å; E197-M201 PolarHBondContact O-N 3Å; A198-M201 PolarHBondContact O-N 3.2Å; M201-K203 VanDerWaalsContact C-N 3.29Å; M201-K203 PolarHBondContact O-N 3.25Å; M201-S204 WeakPolarHBondContact O-CB 3.4Å; M201-S204 PolarHBondContact O-N 2.82Å; M201-S204 PolarHBondContact O-OG 3.44Å; M201-A205 PolarHBondContact O-N 2.87Å; M201-V287 HydrophobicContact CE-CG2 3.71Å; M201-V287 HydrophobicContact CG-CG2 4.08Å; M201-V287 HydrophobicContact SD-CG2 3.56Å; M201-V287 VanDerWaalsContact SD-CG2 3.56Å; M201-V291 WeakPolarHBondContact CB-O 3.11Å; M201-V291 HydrophobicContact CG-CB 4.41Å; M201-V291 WeakPolarHBondContact CG-O 3.4Å; M201-F293 HydrophobicContact SD-CE2 4.04Å
202	I	97.4	Very high	92.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-40.9	180	-67.2	164.7	0	0	0	110.5	V188 A198 L199 S204 A205 I206 L215 I217 V231 Y234	V188-I202 HydrophobicContact CG1-CD1 4.35Å; A198-I202 WeakPolarHBondContact O-CB 3.49Å; A198-I202 WeakPolarHBondContact O-CD1 3.43Å; A198-I202 WeakPolarHBondContact O-CG1 3.3Å; A198-I202 PolarHBondContact O-N 2.85Å; L199-I202 PolarHBondContact O-N 3.22Å; I202-S204 PolarHBondContact O-N 2.96Å; I202-A205 PolarHBondContact O-N 3.13Å; I202-I206 HydrophobicContact CG2-CD1 3.7Å; I202-I206 HydrophobicContact CG2-CG1 4.27Å; I202-I206 WeakPolarHBondContact O-CB 3.2Å; I202-I206 WeakPolarHBondContact O-CG1 3.37Å; I202-I206 PolarHBondContact O-N 3.21Å; I202-L215 HydrophobicContact CG2-CD1 3.8Å; I202-L215 HydrophobicContact CG2-CD2 4.3Å; I202-I217 HydrophobicContact CD1-CD1 3.76Å; I202-I217 HydrophobicContact CD1-CG1 4.39Å; I202-V231 HydrophobicContact CD1-CG2 3.89Å; I202-V231 HydrophobicContact CG2-CG1 4.01Å; I202-V231 HydrophobicContact CG2-CG2 3.97Å; I202-Y234 HydrophobicContact CG2-CD2 4.47Å
203	K	96	Very high	92.9	Very high	35 Å²	35	22.5 Å²	22.5	15%	0.152	11%	0.112	C	C	.	.	H	α-helix	trans	-58.3	-44.1	173.5	-175.7	-175.3	-79.3	-164.8	0	111.5	L199 M201 A205 I206 M207 Y234 I445 K446 V448	L199-K203 WeakPolarHBondContact O-CB 3.5Å; L199-K203 PolarHBondContact O-N 2.93Å; M201-K203 VanDerWaalsContact C-N 3.29Å; M201-K203 PolarHBondContact O-N 3.25Å; K203-A205 PolarHBondContact O-N 3.32Å; K203-I206 PolarHBondContact O-N 3.46Å; K203-M207 WeakPolarHBondContact O-CB 3.3Å; K203-M207 PolarHBondContact O-N 2.8Å; K203-Y234 HydrophobicContact CB-CD2 4.17Å; K203-Y234 HydrophobicContact CB-CE2 3.93Å; K203-I445 WeakPolarHBondContact CD-O 3.34Å; K203-K446 PolarHBondContact NZ-O 2.87Å; K203-V448 WeakPolarHBondContact CD-OXT 3.24Å; K203-V448 WeakPolarHBondContact CE-OXT 3.34Å; K203-V448 PolarHBondContact NZ-OXT 3.5Å
204	S	96.3	Very high	93.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62	-40.8	175.2	77.5	0	0	0	0	112.8	T200 M201 I202 M207 F208 F293	T200-S204 PolarHBondContact O-N 3.21Å; M201-S204 WeakPolarHBondContact O-CB 3.4Å; M201-S204 PolarHBondContact O-N 2.82Å; M201-S204 PolarHBondContact O-OG 3.44Å; I202-S204 PolarHBondContact O-N 2.96Å; S204-M207 PolarHBondContact O-N 3.33Å; S204-F208 VanDerWaalsContact O-CD2 3.32Å; S204-F208 WeakPolarHBondContact O-CD2 3.37Å; S204-F208 PolarHBondContact O-N 2.79Å; S204-F293 PolarHBondContact OG-N 3.09Å
205	A	96.6	Very high	94.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.4	-34.1	176.7	0	0	0	0	0	113.6	L186 M201 I202 K203 M213 R241 F293 V297	L186-A205 HydrophobicContact CD2-CB 3.39Å; M201-A205 PolarHBondContact O-N 2.87Å; I202-A205 PolarHBondContact O-N 3.13Å; K203-A205 PolarHBondContact O-N 3.32Å; A205-M213 HydrophobicContact CB-CE 4.22Å; A205-M213 HydrophobicContact CB-SD 4.33Å; A205-R241 PolarHBondContact O-NH2 2.82Å; A205-R241 VanDerWaalsContact O-NH2 3.09Å; A205-F293 HydrophobicContact CB-CD2 3.77Å; A205-F293 HydrophobicContact CB-CE2 3.87Å; A205-V297 HydrophobicContact CB-CG2 3.97Å
206	I	94.6	Very high	94.6	Very high	6 Å²	6	13 Å²	13	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-75.7	-33.5	173.4	-68.3	174.1	0	0	0	110.9	I202 K203 L215 Y234 R238 R241 L243	I202-I206 HydrophobicContact CG2-CD1 3.7Å; I202-I206 HydrophobicContact CG2-CG1 4.27Å; I202-I206 WeakPolarHBondContact O-CB 3.2Å; I202-I206 WeakPolarHBondContact O-CG1 3.37Å; I202-I206 PolarHBondContact O-N 3.21Å; K203-I206 PolarHBondContact O-N 3.46Å; I206-L215 HydrophobicContact CD1-CD1 4.19Å; I206-Y234 HydrophobicContact CD1-CD2 4.24Å; I206-Y234 HydrophobicContact CD1-CG 4.43Å; I206-R238 HydrophobicContact CG2-CB 4.16Å; I206-R238 HydrophobicContact CG2-CG 3.74Å; I206-R241 PolarHBondContact O-NH1 3.49Å; I206-L243 HydrophobicContact CG2-CD1 4.09Å
207	M	90.9	Very high	94.8	Very high	12 Å²	12	9.8 Å²	9.8	6%	0.059	5%	0.053	C	C	.	.	H	α-helix	trans	-75.4	-46.1	179.9	177.2	161	42.5	0	0	113.2	P70 L74 K203 S204 I445 V448	P70-M207 HydrophobicContact CB-SD 3.97Å; L74-M207 HydrophobicContact CD2-CE 4.33Å; K203-M207 WeakPolarHBondContact O-CB 3.3Å; K203-M207 PolarHBondContact O-N 2.8Å; S204-M207 PolarHBondContact O-N 3.33Å; M207-I445 HydrophobicContact CE-CD1 3.64Å; M207-I445 HydrophobicContact CE-CG2 4.15Å; M207-V448 HydrophobicContact CE-CG1 4.4Å; M207-V448 HydrophobicContact SD-CG1 3.86Å
208	F	90.4	Very high	94.9	Very high	8 Å²	8	9.8 Å²	9.8	4%	0.035	5%	0.053	C	C	.	.	H	α-helix	trans	-91.3	-16.2	-170.3	-69.5	-64.6	0	0	0	116.4	G71 L74 R75 S204 F293 P296 I445	G71-F208 VanDerWaalsContact CA-CE1 3.42Å; G71-F208 WeakPolarHBondContact O-CE1 3.37Å; L74-F208 HydrophobicContact CB-CZ 4.29Å; L74-F208 HydrophobicContact CD2-CZ 3.92Å; R75-F208 HydrophobicContact CG-CE1 4.4Å; S204-F208 VanDerWaalsContact O-CD2 3.32Å; S204-F208 WeakPolarHBondContact O-CD2 3.37Å; S204-F208 PolarHBondContact O-N 2.79Å; F208-F293 HydrophobicContact CD2-CB 4.47Å; F208-F293 WeakPolarHBondContact CD2-O 3.35Å; F208-F293 WeakPolarHBondContact CE2-O 3.5Å; F208-P296 WeakPolarHBondContact O-CA 3.43Å; F208-I445 HydrophobicContact CE2-CD1 3.58Å; F208-I445 HydrophobicContact CZ-CD1 4.07Å
209	G	89.5	Confident	94.9	Very high	2 Å²	2	9.8 Å²	9.8	2%	0.021	5%	0.054	C	C	.	.			trans	-84.9	155.2	178.3	0	0	0	0	0	113.9	R241 E298	G209-R241 PolarHBondContact O-NH1 3.11Å; G209-E298 WeakPolarHBondContact CA-OE2 2.94Å
210	V	87.3	Confident	94.6	Very high	62 Å²	62	10.7 Å²	10.7	38%	0.376	6%	0.058	S	C	.	.			trans	-116.9	-22	172.2	-54.6	0	0	0	0	113.1	E298	V210-E298 WeakPolarHBondContact CA-OE1 3.47Å; V210-E298 WeakPolarHBondContact CG2-OE1 3.13Å; V210-E298 PolarHBondContact N-OE1 2.69Å; V210-E298 PolarHBondContact N-OE2 2.91Å
211	S	90.4	Very high	94.1	Very high	5 Å²	5	15.3 Å²	15.3	4%	0.035	8%	0.08	C	C	.	.	S	Bend	trans	-76	157.1	-176.5	-54	0	0	0	0	112.3	F180 M213 R241 E298	F180-S211 PolarHBondContact O-OG 3.49Å; S211-M213 PolarHBondContact O-N 3.33Å; S211-R241 PolarHBondContact O-NE 2.82Å; S211-E298 VanDerWaalsContact CB-OE1 3.29Å; S211-E298 WeakPolarHBondContact CB-OE1 3.16Å; S211-E298 PolarHBondContact N-OE1 2.76Å; S211-E298 WeakPolarHBondContact OG-CB 3.27Å; S211-E298 VanDerWaalsContact OG-CD 3.31Å; S211-E298 PolarHBondContact OG-OE1 3.48Å
212	P	94.4	Very high	93.6	Very high	26 Å²	26	20.6 Å²	20.6	17%	0.169	11%	0.112	C	C	.	.			trans	-53.3	141	170.9	-24.3	35	0	0	0	111.1	T183 V184 K242	T183-P212 CarbonylContact C-O 3.56Å; T183-P212 WeakPolarHBondContact CA-O 3.34Å; T183-P212 HydrophobicContact CG2-CB 4.28Å; V184-P212 PolarHBondContact N-O 3.01Å; P212-K242 WeakPolarHBondContact CA-O 3.22Å; P212-K242 HydrophobicContact CB-CB 4.06Å; P212-K242 HydrophobicContact CB-CD 4.23Å; P212-K242 HydrophobicContact CB-CG 4.35Å; P212-K242 HydrophobicContact CG-CB 4.38Å
213	M	95.9	Very high	93	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.3	-175.7	-178.3	-178.9	-80.6	0	0	112.1	V184 L186 A205 S211 L215 R241 K242 L243 K244 V297	V184-M213 HydrophobicContact CB-CE 4.45Å; V184-M213 HydrophobicContact CG1-CE 4.12Å; V184-M213 CarbonylContact O-C 3.58Å; V184-M213 VanDerWaalsContact O-CA 3.27Å; V184-M213 WeakPolarHBondContact O-CA 3.29Å; V184-M213 WeakPolarHBondContact O-CG 3.49Å; L186-M213 HydrophobicContact CB-SD 4.48Å; L186-M213 HydrophobicContact CD2-CE 4.32Å; L186-M213 HydrophobicContact CD2-SD 4.14Å; A205-M213 HydrophobicContact CB-CE 4.22Å; A205-M213 HydrophobicContact CB-SD 4.33Å; S211-M213 PolarHBondContact O-N 3.33Å; M213-L215 HydrophobicContact CG-CD2 4.39Å; M213-L215 HydrophobicContact SD-CD2 3.93Å; M213-R241 PolarHBondContact SD-NH2 3.39Å; M213-R241 VanDerWaalsContact SD-NH2 3.44Å; M213-K242 PolarHBondContact N-O 3.36Å; M213-L243 HydrophobicContact CB-CD2 3.81Å; M213-L243 CarbonylContact O-C 3.49Å; M213-L243 WeakPolarHBondContact O-CA 3.09Å; M213-K244 PolarHBondContact O-N 2.91Å; M213-V297 HydrophobicContact CE-CB 3.76Å; M213-V297 HydrophobicContact CE-CG1 3.91Å; M213-V297 HydrophobicContact CE-CG2 3.77Å
214	H	97.6	Very high	92.8	Very high	26 Å²	26	27.3 Å²	27.3	12%	0.12	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111.1	174.8	-166.3	163	0	0	0	109	T183 V184 H185 L186 H216 K244 N246	T183-H214 HydrophobicContact CG2-CB 4.15Å; V184-H214 PolarHBondContact O-N 3.23Å; H185-H214 CarbonylContact C-O 3.56Å; H185-H214 WeakPolarHBondContact CA-O 3.4Å; H185-H214 AromaticContact CE1-ND1 3.61Å; H185-H214 WeakPolarHBondContact ND1-CB 3.4Å; H185-H214 AromaticContact ND1-CG 3.74Å; H185-H214 AromaticContact ND1-ND1 3.68Å; L186-H214 PolarHBondContact N-O 3.49Å; H214-H216 AromaticContact CD2-CE1 3.45Å; H214-H216 PolarHBondContact CD2-CE1 2.95Å; H214-H216 VanDerWaalsContact CD2-CE1 3.45Å; H214-H216 AromaticContact CD2-ND1 3.81Å; H214-H216 AromaticContact CE1-CE1 2.89Å; H214-H216 PolarHBondContact CE1-CE1 3.47Å; H214-H216 AromaticContact CG-CE1 3.53Å; H214-H216 AromaticContact ND1-CE1 3.21Å; H214-H216 PolarHBondContact ND1-CE1 3.2Å; H214-H216 AromaticContact NE2-CE1 3.05Å; H214-H216 PolarHBondContact NE2-CE1 2.72Å; H214-H216 AromaticContact NE2-ND1 3.79Å; H214-K244 WeakPolarHBondContact CA-O 3.46Å; H214-K244 HydrophobicContact CB-CB 4.45Å; H214-N246 PolarHBondContact CE1-OD1 2.65Å; H214-N246 PolarHBondContact NE2-OD1 2.81Å
215	L	98.3	Very high	92.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.7	176.3	-60.8	169.7	0	0	0	110.3	L186 I202 I206 M213 I217 V231 K244 M245 N246	L186-L215 HydrophobicContact CB-CD2 4.18Å; L186-L215 HydrophobicContact CD2-CD2 3.84Å; L186-L215 HydrophobicContact CG-CD2 4.24Å; L186-L215 CarbonylContact O-C 3.57Å; L186-L215 WeakPolarHBondContact O-CA 3.35Å; I202-L215 HydrophobicContact CG2-CD1 3.8Å; I202-L215 HydrophobicContact CG2-CD2 4.3Å; I206-L215 HydrophobicContact CD1-CD1 4.19Å; M213-L215 HydrophobicContact CG-CD2 4.39Å; M213-L215 HydrophobicContact SD-CD2 3.93Å; L215-I217 HydrophobicContact CB-CG1 4.45Å; L215-V231 HydrophobicContact CD1-CG1 3.53Å; L215-K244 PolarHBondContact N-O 2.98Å; L215-M245 HydrophobicContact CB-CB 4.26Å; L215-M245 HydrophobicContact CB-CG 4.31Å; L215-M245 CarbonylContact O-C 3.56Å; L215-M245 WeakPolarHBondContact O-CA 3.31Å; L215-N246 PolarHBondContact O-N 3.24Å
216	H	98.4	Very high	92.5	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	95.8	173.8	-60.7	-54.3	0	0	0	108.8	H185 L186 A187 V188 H214 F218 Y248 L278 V281	H185-H216 WeakPolarHBondContact CB-NE2 3.06Å; H185-H216 AromaticContact CE1-NE2 3.53Å; H185-H216 AromaticContact CG-NE2 3.07Å; H185-H216 AromaticContact ND1-CE1 3.87Å; H185-H216 AromaticContact ND1-NE2 2.51Å; H185-H216 PolarHBondContact ND1-NE2 2.83Å; L186-H216 PolarHBondContact O-N 2.81Å; A187-H216 WeakPolarHBondContact CA-O 3.14Å; A187-H216 HydrophobicContact CB-CB 4.24Å; V188-H216 PolarHBondContact N-O 2.81Å; H214-H216 AromaticContact CD2-CE1 3.45Å; H214-H216 PolarHBondContact CD2-CE1 2.95Å; H214-H216 VanDerWaalsContact CD2-CE1 3.45Å; H214-H216 AromaticContact CD2-ND1 3.81Å; H214-H216 AromaticContact CE1-CE1 2.89Å; H214-H216 PolarHBondContact CE1-CE1 3.47Å; H214-H216 AromaticContact CG-CE1 3.53Å; H214-H216 AromaticContact ND1-CE1 3.21Å; H214-H216 PolarHBondContact ND1-CE1 3.2Å; H214-H216 AromaticContact NE2-CE1 3.05Å; H214-H216 PolarHBondContact NE2-CE1 2.72Å; H214-H216 AromaticContact NE2-ND1 3.79Å; H216-F218 HydrophobicContact CB-CE2 4.19Å; H216-Y248 HydrophobicContact CB-CD2 4.44Å; H216-Y248 HydrophobicContact CB-CE2 3.94Å; H216-Y248 AromaticContact ND1-CE2 3.69Å; H216-L278 HydrophobicContact CB-CD1 4.16Å; H216-V281 VanDerWaalsContact NE2-CG1 3.27Å; H216-V281 WeakPolarHBondContact NE2-CG1 3.34Å; H216-V281 WeakPolarHBondContact NE2-CG2 3.38Å
217	I	97.4	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.6	-174.5	-53.9	-177.3	0	0	0	109.1	V188 V190 I202 L215 I227 V231 M245 N246 I247 Y248	V188-I217 HydrophobicContact CG1-CB 4.29Å; V188-I217 HydrophobicContact CG1-CG1 3.95Å; V188-I217 HydrophobicContact CG1-CG2 4.26Å; V190-I217 HydrophobicContact CG2-CG2 4.12Å; I202-I217 HydrophobicContact CD1-CD1 3.76Å; I202-I217 HydrophobicContact CD1-CG1 4.39Å; L215-I217 HydrophobicContact CB-CG1 4.45Å; I217-I227 HydrophobicContact CD1-CG2 3.87Å; I217-I227 HydrophobicContact CG2-CG2 4.34Å; I217-V231 HydrophobicContact CD1-CG2 4.31Å; I217-M245 HydrophobicContact CD1-CG 4.12Å; I217-M245 HydrophobicContact CD1-SD 3.57Å; I217-M245 VanDerWaalsContact CD1-SD 3.57Å; I217-M245 HydrophobicContact CG1-CG 4.5Å; I217-N246 PolarHBondContact N-O 3.45Å; I217-I247 HydrophobicContact CB-CG1 4.39Å; I217-I247 CarbonylContact O-C 3.53Å; I217-I247 WeakPolarHBondContact O-CA 3.19Å; I217-Y248 PolarHBondContact O-N 2.78Å
218	F	96.6	Very high	92.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.8	172.3	-63	-97.4	0	0	0	108.5	A187 V188 V189 V190 H216 Y248 I250 Q270 I274 I277 L278	A187-F218 HydrophobicContact CB-CE2 4.42Å; V188-F218 PolarHBondContact O-N 3.43Å; V189-F218 CarbonylContact C-O 3.58Å; V189-F218 WeakPolarHBondContact CA-O 3.47Å; V189-F218 HydrophobicContact CB-CB 4.5Å; V189-F218 HydrophobicContact CG2-CB 3.94Å; V189-F218 HydrophobicContact CG2-CG 4.44Å; V190-F218 PolarHBondContact N-O 3.39Å; H216-F218 HydrophobicContact CB-CE2 4.19Å; F218-Y248 CarbonylContact C-O 3.3Å; F218-Y248 WeakPolarHBondContact CA-O 3.37Å; F218-Y248 HydrophobicContact CD1-CG 4.34Å; F218-Y248 HydrophobicContact CE1-CD2 4.36Å; F218-Y248 HydrophobicContact CE1-CG 4.1Å; F218-Y248 HydrophobicContact CE2-CD2 4.48Å; F218-Y248 HydrophobicContact CZ-CD2 4.28Å; F218-Y248 HydrophobicContact CZ-CG 4.44Å; F218-I250 HydrophobicContact CB-CD1 4.18Å; F218-Q270 HydrophobicContact CB-CG 4.08Å; F218-Q270 HydrophobicContact CD1-CG 4.24Å; F218-Q270 HydrophobicContact CG-CG 4.28Å; F218-I274 HydrophobicContact CE2-CD1 4.12Å; F218-I274 HydrophobicContact CE2-CG1 3.97Å; F218-I274 HydrophobicContact CE2-CG2 4.46Å; F218-I274 HydrophobicContact CZ-CB 4.5Å; F218-I274 HydrophobicContact CZ-CG1 3.96Å; F218-I274 HydrophobicContact CZ-CG2 4.24Å; F218-I277 HydrophobicContact CD1-CD1 4.23Å; F218-I277 HydrophobicContact CE1-CB 4.15Å; F218-I277 HydrophobicContact CE1-CD1 3.75Å; F218-I277 HydrophobicContact CE1-CG2 3.92Å; F218-L278 HydrophobicContact CE2-CD1 4.33Å; F218-L278 HydrophobicContact CZ-CD1 4.01Å; F218-L278 HydrophobicContact CZ-CD2 4.03Å; F218-L278 HydrophobicContact CZ-CG 3.9Å
219	T	95	Very high	92.9	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.1	-174.3	-174.8	0	0	0	0	113.5	V190 K224 I227 I247 Y248 I250	V190-T219 WeakPolarHBondContact O-CA 3.36Å; V190-T219 PolarHBondContact O-OG1 3.49Å; T219-K224 HydrophobicContact CG2-CB 4.24Å; T219-K224 HydrophobicContact CG2-CG 4.19Å; T219-I227 HydrophobicContact CG2-CD1 4.43Å; T219-I247 HydrophobicContact CG2-CG2 3.44Å; T219-I247 VanDerWaalsContact CG2-CG2 3.44Å; T219-Y248 PolarHBondContact N-O 2.88Å; T219-I250 PolarHBondContact O-N 3.04Å
220	D	89.7	Confident	93.2	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.16	23%	0.233	C	C	.	.			trans	-70.1	164.9	158.9	70.8	48.3	0	0	0	110.5	C191 K192 Y195 T222	C191-D220 VanDerWaalsContact CA-OD2 3.27Å; C191-D220 WeakPolarHBondContact CA-OD2 3.39Å; K192-D220 PolarHBondContact N-OD2 3.18Å; Y195-D220 PolarHBondContact OH-OD1 2.74Å; Y195-D220 VanDerWaalsContact OH-OD1 3.1Å; D220-T222 PolarHBondContact O-N 3.06Å; D220-T222 WeakPolarHBondContact OD1-CA 3.49Å; D220-T222 WeakPolarHBondContact OD1-CB 3.34Å; D220-T222 PolarHBondContact OD1-N 3.27Å; D220-T222 PolarHBondContact OD1-OG1 3.09Å; D220-T222 VanDerWaalsContact OD1-OG1 3.11Å
221	E	87.3	Confident	93.6	Very high	102 Å²	102	44.1 Å²	44.1	48%	0.477	22%	0.215	S	C	.	.	S	Bend	trans	-74.7	-11.1	-177.1	-59.8	-70.8	138.6	0	0	112.6	R223 K224	E221-R223 PolarHBondContact O-N 3.24Å; E221-K224 IonicContact OE1-NZ 3.73Å; E221-K224 PolarHBondContact OE1-NZ 3.24Å; E221-K224 WeakPolarHBondContact OE2-CD 3.38Å; E221-K224 WeakPolarHBondContact OE2-CE 3.19Å; E221-K224 IonicContact OE2-NZ 3.67Å; E221-K224 PolarHBondContact OE2-NZ 3.09Å
222	T	86.3	Confident	93.8	Very high	110 Å²	110	47.2 Å²	47.2	68%	0.675	23%	0.229	S	C	*	.	S	Bend	trans	-66.1	-32.2	-163.4	-53.5	0	0	0	0	114.2	D220	D220-T222 PolarHBondContact O-N 3.06Å; D220-T222 WeakPolarHBondContact OD1-CA 3.49Å; D220-T222 WeakPolarHBondContact OD1-CB 3.34Å; D220-T222 PolarHBondContact OD1-N 3.27Å; D220-T222 PolarHBondContact OD1-OG1 3.09Å; D220-T222 VanDerWaalsContact OD1-OG1 3.11Å
223	R	85.1	Confident	93.8	Very high	112 Å²	112	47.2 Å²	47.2	42%	0.423	23%	0.234	S	C	.	.	S	Bend	trans	-136.9	26.1	168	-61.4	-159.6	-166.2	-179.7	3.4	114.1	Y195 E221 E225 H226 I227	Y195-R223 HydrophobicContact CD1-CB 4.01Å; Y195-R223 HydrophobicContact CD2-CB 4.09Å; Y195-R223 VanDerWaalsContact CD2-CD 3.42Å; Y195-R223 HydrophobicContact CD2-CG 3.9Å; Y195-R223 HydrophobicContact CE1-CB 3.71Å; Y195-R223 HydrophobicContact CE1-CG 4.37Å; Y195-R223 HydrophobicContact CE2-CB 3.76Å; Y195-R223 HydrophobicContact CE2-CG 3.47Å; Y195-R223 VanDerWaalsContact CE2-CG 3.47Å; Y195-R223 HydrophobicContact CG-CB 4.19Å; Y195-R223 HydrophobicContact CG-CG 4.48Å; E221-R223 PolarHBondContact O-N 3.24Å; R223-E225 VanDerWaalsContact C-N 3.29Å; R223-E225 PolarHBondContact O-N 3.01Å; R223-H226 HydrophobicContact CB-CB 4.25Å; R223-H226 PolarHBondContact O-N 2.88Å; R223-I227 PolarHBondContact O-N 3.13Å
224	K	91.9	Very high	93.7	Very high	65 Å²	65	49 Å²	49	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-46.8	-47.9	178.4	177.3	178.7	174.7	-178.9	0	113.5	T219 E221 I227 M228 I247	T219-K224 HydrophobicContact CG2-CB 4.24Å; T219-K224 HydrophobicContact CG2-CG 4.19Å; E221-K224 IonicContact OE1-NZ 3.73Å; E221-K224 PolarHBondContact OE1-NZ 3.24Å; E221-K224 WeakPolarHBondContact OE2-CD 3.38Å; E221-K224 WeakPolarHBondContact OE2-CE 3.19Å; E221-K224 IonicContact OE2-NZ 3.67Å; E221-K224 PolarHBondContact OE2-NZ 3.09Å; K224-I227 PolarHBondContact O-N 3Å; K224-M228 WeakPolarHBondContact O-CB 3.22Å; K224-M228 PolarHBondContact O-N 3.12Å; K224-I247 HydrophobicContact CG-CG2 4.18Å
225	E	93.1	Very high	93.5	Very high	145 Å²	145	49.4 Å²	49.4	68%	0.678	24%	0.244	S	C	*	.	H	α-helix	trans	-65.7	-38.1	178.8	-61.7	-176.6	164.7	0	0	112.9	R223 M228 N229	R223-E225 VanDerWaalsContact C-N 3.29Å; R223-E225 PolarHBondContact O-N 3.01Å; E225-M228 WeakPolarHBondContact O-CB 3.26Å; E225-M228 PolarHBondContact O-N 3.38Å; E225-N229 WeakPolarHBondContact O-CB 3.13Å; E225-N229 PolarHBondContact O-N 3.35Å; E225-N229 PolarHBondContact O-ND2 2.83Å
226	H	92.9	Very high	93.2	Very high	68 Å²	68	56.5 Å²	56.5	32%	0.315	27%	0.271	S	S	.	.	H	α-helix	trans	-68.7	-43.8	177.9	172.9	49.7	0	0	0	111.4	R223 M228 N229 E230	R223-H226 HydrophobicContact CB-CB 4.25Å; R223-H226 PolarHBondContact O-N 2.88Å; H226-M228 VanDerWaalsContact C-N 3.27Å; H226-M228 PolarHBondContact O-N 3.03Å; H226-N229 PolarHBondContact O-N 3.43Å; H226-E230 IonicContact CE1-OE1 3.32Å; H226-E230 IonicContact ND1-OE1 2.68Å; H226-E230 WeakPolarHBondContact O-CB 3.1Å; H226-E230 VanDerWaalsContact O-CG 3.3Å; H226-E230 WeakPolarHBondContact O-CG 3.49Å; H226-E230 PolarHBondContact O-N 3.34Å; H226-E230 VanDerWaalsContact O-N 3.09Å
227	I	94	Very high	92.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.9	-46.1	172.1	-56.2	167.3	0	0	0	109.8	V190 Y195 L199 I217 T219 R223 K224 V231	V190-I227 HydrophobicContact CB-CD1 4.21Å; V190-I227 HydrophobicContact CG1-CD1 3.99Å; Y195-I227 HydrophobicContact CD1-CD1 3.75Å; Y195-I227 HydrophobicContact CD1-CG1 3.88Å; Y195-I227 HydrophobicContact CE1-CD1 3.9Å; Y195-I227 HydrophobicContact CE1-CG1 4.41Å; L199-I227 HydrophobicContact CD2-CG2 4.37Å; I217-I227 HydrophobicContact CD1-CG2 3.87Å; I217-I227 HydrophobicContact CG2-CG2 4.34Å; T219-I227 HydrophobicContact CG2-CD1 4.43Å; R223-I227 PolarHBondContact O-N 3.13Å; K224-I227 PolarHBondContact O-N 3Å; I227-V231 HydrophobicContact CG2-CG2 4.03Å; I227-V231 WeakPolarHBondContact O-CB 3.47Å; I227-V231 VanDerWaalsContact O-CG2 3.24Å; I227-V231 WeakPolarHBondContact O-CG2 3.41Å; I227-V231 PolarHBondContact O-N 2.98Å
228	M	94.8	Very high	92.2	Very high	68 Å²	68	61.5 Å²	61.5	34%	0.335	30%	0.304	S	S	.	.	H	α-helix	trans	-58	-52.2	-179.6	-167.6	175	72.5	0	0	111.7	K224 E225 H226 E230 V231 E232 M245 I247	K224-M228 WeakPolarHBondContact O-CB 3.22Å; K224-M228 PolarHBondContact O-N 3.12Å; E225-M228 WeakPolarHBondContact O-CB 3.26Å; E225-M228 PolarHBondContact O-N 3.38Å; H226-M228 VanDerWaalsContact C-N 3.27Å; H226-M228 PolarHBondContact O-N 3.03Å; M228-E230 PolarHBondContact O-N 3.47Å; M228-V231 PolarHBondContact O-N 3.11Å; M228-E232 WeakPolarHBondContact O-CB 3.46Å; M228-E232 VanDerWaalsContact O-CG 3.32Å; M228-E232 WeakPolarHBondContact O-CG 3.4Å; M228-E232 PolarHBondContact O-N 3.47Å; M228-M245 HydrophobicContact CB-CE 4.44Å; M228-M245 HydrophobicContact CG-CE 3.84Å; M228-I247 HydrophobicContact CB-CD1 3.63Å; M228-I247 HydrophobicContact CG-CD1 3.81Å; M228-I247 HydrophobicContact SD-CD1 4.31Å
229	N	95.6	Very high	91.2	Very high	88 Å²	88	65.6 Å²	65.6	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-42	-177	-68.1	-19.9	0	0	0	112.9	E225 H226 G233 R236	E225-N229 WeakPolarHBondContact O-CB 3.13Å; E225-N229 PolarHBondContact O-N 3.35Å; E225-N229 PolarHBondContact O-ND2 2.83Å; H226-N229 PolarHBondContact O-N 3.43Å; N229-G233 PolarHBondContact O-N 3.45Å; N229-G233 VanDerWaalsContact O-N 3.07Å; N229-R236 PolarHBondContact O-NH2 2.96Å
230	E	95.3	Very high	90.4	Very high	74 Å²	74	71.6 Å²	71.6	35%	0.346	36%	0.36	S	S	.	.	H	α-helix	trans	-67.3	-48.9	177.9	-69.4	-65.6	145.9	0	0	111.8	L199 H226 M228 E232 G233 Y234	L199-E230 HydrophobicContact CD1-CB 4.09Å; L199-E230 HydrophobicContact CD1-CG 3.92Å; L199-E230 HydrophobicContact CD2-CB 3.63Å; L199-E230 HydrophobicContact CD2-CG 4.37Å; H226-E230 IonicContact CE1-OE1 3.32Å; H226-E230 IonicContact ND1-OE1 2.68Å; H226-E230 WeakPolarHBondContact O-CB 3.1Å; H226-E230 VanDerWaalsContact O-CG 3.3Å; H226-E230 WeakPolarHBondContact O-CG 3.49Å; H226-E230 PolarHBondContact O-N 3.34Å; H226-E230 VanDerWaalsContact O-N 3.09Å; M228-E230 PolarHBondContact O-N 3.47Å; E230-E232 VanDerWaalsContact C-N 3.35Å; E230-E232 PolarHBondContact O-N 3.11Å; E230-G233 VanDerWaalsContact O-CA 3.29Å; E230-G233 WeakPolarHBondContact O-CA 3.45Å; E230-G233 PolarHBondContact O-N 2.95Å; E230-Y234 WeakPolarHBondContact O-CD1 3.35Å; E230-Y234 PolarHBondContact O-N 2.93Å
231	V	95.6	Very high	90.2	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-67.5	-36.3	-179.5	176	0	0	0	0	111.2	L199 I202 L215 I217 I227 M228 G233 Y234 I235 M245	L199-V231 HydrophobicContact CD2-CG2 3.79Å; I202-V231 HydrophobicContact CD1-CG2 3.89Å; I202-V231 HydrophobicContact CG2-CG1 4.01Å; I202-V231 HydrophobicContact CG2-CG2 3.97Å; L215-V231 HydrophobicContact CD1-CG1 3.53Å; I217-V231 HydrophobicContact CD1-CG2 4.31Å; I227-V231 HydrophobicContact CG2-CG2 4.03Å; I227-V231 WeakPolarHBondContact O-CB 3.47Å; I227-V231 VanDerWaalsContact O-CG2 3.24Å; I227-V231 WeakPolarHBondContact O-CG2 3.41Å; I227-V231 PolarHBondContact O-N 2.98Å; M228-V231 PolarHBondContact O-N 3.11Å; V231-G233 VanDerWaalsContact C-N 3.26Å; V231-G233 PolarHBondContact O-N 3.17Å; V231-Y234 PolarHBondContact O-N 3.13Å; V231-I235 HydrophobicContact CG1-CD1 4.13Å; V231-I235 VanDerWaalsContact O-CG1 3.29Å; V231-I235 WeakPolarHBondContact O-CG1 3.41Å; V231-I235 PolarHBondContact O-N 3.45Å; V231-M245 HydrophobicContact CB-CE 4.35Å; V231-M245 HydrophobicContact CB-SD 3.81Å; V231-M245 HydrophobicContact CG1-CE 4.29Å; V231-M245 HydrophobicContact CG1-SD 3.49Å; V231-M245 WeakPolarHBondContact CG1-SD 3.49Å
232	E	95.6	Very high	90.4	Very high	69 Å²	69	72.5 Å²	72.5	32%	0.322	36%	0.361	S	S	.	.	H	α-helix	trans	-60.6	-35.5	167.6	-79	-171.4	-170.7	0	0	112.7	M228 E230 I235 R236 M245	M228-E232 WeakPolarHBondContact O-CB 3.46Å; M228-E232 VanDerWaalsContact O-CG 3.32Å; M228-E232 WeakPolarHBondContact O-CG 3.4Å; M228-E232 PolarHBondContact O-N 3.47Å; E230-E232 VanDerWaalsContact C-N 3.35Å; E230-E232 PolarHBondContact O-N 3.11Å; E232-I235 PolarHBondContact O-N 2.87Å; E232-R236 WeakPolarHBondContact O-CB 3.31Å; E232-R236 WeakPolarHBondContact O-CG 3.48Å; E232-R236 PolarHBondContact O-N 3.1Å; E232-R236 PolarHBondContact O-NE 3.12Å; E232-R236 IonicContact OE2-CZ 2.69Å; E232-R236 IonicContact OE2-NH1 2.7Å; E232-R236 PolarHBondContact OE2-NH1 3.37Å; E232-R236 IonicContact OE2-NH2 3.54Å; E232-M245 HydrophobicContact CG-CE 4.07Å
233	G	94.6	Very high	90.8	Very high	27 Å²	27	68.2 Å²	68.2	28%	0.278	33%	0.334	S	S	.	.	H	α-helix	trans	-57.4	-48.6	171.4	0	0	0	0	0	111.7	N229 E230 V231 I235 R236 A237	N229-G233 PolarHBondContact O-N 3.45Å; N229-G233 VanDerWaalsContact O-N 3.07Å; E230-G233 VanDerWaalsContact O-CA 3.29Å; E230-G233 WeakPolarHBondContact O-CA 3.45Å; E230-G233 PolarHBondContact O-N 2.95Å; V231-G233 VanDerWaalsContact C-N 3.26Å; V231-G233 PolarHBondContact O-N 3.17Å; G233-I235 VanDerWaalsContact C-N 3.33Å; G233-I235 PolarHBondContact O-N 3.3Å; G233-R236 PolarHBondContact O-N 3.29Å; G233-A237 WeakPolarHBondContact O-CB 3.29Å; G233-A237 PolarHBondContact O-N 3.11Å
234	Y	93.4	Very high	91.3	Very high	39 Å²	39	68.7 Å²	68.7	15%	0.153	34%	0.339	C	S	.	.	H	α-helix	trans	-65.1	-36.4	177.2	-51.2	-18.7	0	0	0	112	L199 I202 K203 I206 E230 V231 A237 R238	L199-Y234 HydrophobicContact CD2-CE2 4.31Å; I202-Y234 HydrophobicContact CG2-CD2 4.47Å; K203-Y234 HydrophobicContact CB-CD2 4.17Å; K203-Y234 HydrophobicContact CB-CE2 3.93Å; I206-Y234 HydrophobicContact CD1-CD2 4.24Å; I206-Y234 HydrophobicContact CD1-CG 4.43Å; E230-Y234 WeakPolarHBondContact O-CD1 3.35Å; E230-Y234 PolarHBondContact O-N 2.93Å; V231-Y234 PolarHBondContact O-N 3.13Å; Y234-A237 PolarHBondContact O-N 2.83Å; Y234-R238 PolarHBondContact O-N 3.24Å
235	I	92.4	Very high	91.6	Very high	35 Å²	35	67.4 Å²	67.4	18%	0.179	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-47.3	174.5	-71.9	169.9	0	0	0	111.1	V231 E232 G233 A237 R238 A239 L243 M245	V231-I235 HydrophobicContact CG1-CD1 4.13Å; V231-I235 VanDerWaalsContact O-CG1 3.29Å; V231-I235 WeakPolarHBondContact O-CG1 3.41Å; V231-I235 PolarHBondContact O-N 3.45Å; E232-I235 PolarHBondContact O-N 2.87Å; G233-I235 VanDerWaalsContact C-N 3.33Å; G233-I235 PolarHBondContact O-N 3.3Å; I235-A237 VanDerWaalsContact C-N 3.34Å; I235-A237 PolarHBondContact O-N 2.88Å; I235-R238 CarbonylContact O-C 3.53Å; I235-R238 VanDerWaalsContact O-C 3.3Å; I235-R238 PolarHBondContact O-N 2.88Å; I235-R238 VanDerWaalsContact O-N 3.09Å; I235-A239 PolarHBondContact O-N 3.13Å; I235-L243 HydrophobicContact CB-CB 4.48Å; I235-L243 HydrophobicContact CB-CD1 4.4Å; I235-L243 HydrophobicContact CG1-CB 3.97Å; I235-L243 HydrophobicContact CG1-CD1 4.11Å; I235-L243 HydrophobicContact CG2-CB 4.1Å; I235-M245 HydrophobicContact CD1-CB 4.08Å
236	R	91.6	Very high	91.8	Very high	149 Å²	149	64 Å²	64	56%	0.562	32%	0.321	S	S	*	.	H	α-helix	trans	-60.5	-42.1	175.5	-73.8	-179.8	-73.3	-102.9	-1.7	111.5	N229 E232 G233 R238 A239	N229-R236 PolarHBondContact O-NH2 2.96Å; E232-R236 WeakPolarHBondContact O-CB 3.31Å; E232-R236 WeakPolarHBondContact O-CG 3.48Å; E232-R236 PolarHBondContact O-N 3.1Å; E232-R236 PolarHBondContact O-NE 3.12Å; E232-R236 IonicContact OE2-CZ 2.69Å; E232-R236 IonicContact OE2-NH1 2.7Å; E232-R236 PolarHBondContact OE2-NH1 3.37Å; E232-R236 IonicContact OE2-NH2 3.54Å; G233-R236 PolarHBondContact O-N 3.29Å; R236-R238 PolarHBondContact O-N 3.03Å; R236-R238 VanDerWaalsContact O-N 3.14Å; R236-A239 WeakPolarHBondContact O-CB 3.39Å; R236-A239 PolarHBondContact O-N 3.44Å
237	A	89.1	Confident	91.9	Very high	67 Å²	67	62.7 Å²	62.7	55%	0.554	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-3.6	175.8	0	0	0	0	0	114.9	G233 Y234 I235	G233-A237 WeakPolarHBondContact O-CB 3.29Å; G233-A237 PolarHBondContact O-N 3.11Å; Y234-A237 PolarHBondContact O-N 2.83Å; I235-A237 VanDerWaalsContact C-N 3.34Å; I235-A237 PolarHBondContact O-N 2.88Å
238	R	86	Confident	92	Very high	42 Å²	42	65.3 Å²	65.3	16%	0.158	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	35.4	173.9	-75	-63.3	-170.1	-80.3	2.2	112	D69 I206 Y234 I235 R236 W240 R241 L243	D69-R238 IonicContact OD1-NH2 2.66Å; D69-R238 PolarHBondContact OD1-NH2 3.09Å; D69-R238 IonicContact OD2-CZ 2.75Å; D69-R238 IonicContact OD2-NE 3.8Å; D69-R238 PolarHBondContact OD2-NE 2.9Å; D69-R238 IonicContact OD2-NH2 3.02Å; D69-R238 PolarHBondContact OD2-NH2 2.59Å; I206-R238 HydrophobicContact CG2-CB 4.16Å; I206-R238 HydrophobicContact CG2-CG 3.74Å; Y234-R238 PolarHBondContact O-N 3.24Å; I235-R238 CarbonylContact O-C 3.53Å; I235-R238 VanDerWaalsContact O-C 3.3Å; I235-R238 PolarHBondContact O-N 2.88Å; I235-R238 VanDerWaalsContact O-N 3.09Å; R236-R238 PolarHBondContact O-N 3.03Å; R236-R238 VanDerWaalsContact O-N 3.14Å; R238-W240 PolarHBondContact O-N 2.88Å; R238-R241 PolarHBondContact O-N 3.43Å; R238-L243 HydrophobicContact CB-CD1 3.74Å
239	A	76.4	Confident	92	Very high	86 Å²	86	68.8 Å²	68.8	71%	0.711	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-17.7	-178.7	0	0	0	0	0	116	I235 R236 R241	I235-A239 PolarHBondContact O-N 3.13Å; R236-A239 WeakPolarHBondContact O-CB 3.39Å; R236-A239 PolarHBondContact O-N 3.44Å; A239-R241 VanDerWaalsContact C-N 3.27Å; A239-R241 PolarHBondContact O-N 2.99Å
240	W	78	Confident	91.9	Very high	128 Å²	128	66.1 Å²	66.1	49%	0.485	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.7	171.6	62.6	-101.2	0	0	0	113.8	R238	R238-W240 PolarHBondContact O-N 2.88Å
241	R	85.8	Confident	91.8	Very high	12 Å²	12	68.1 Å²	68.1	5%	0.045	33%	0.334	C	S	.	.	S	Bend	trans	-105.1	137.1	179.2	-176.7	166.1	145.4	-141.3	-14	109.9	A205 I206 G209 S211 M213 R238 A239 L243	A205-R241 PolarHBondContact O-NH2 2.82Å; A205-R241 VanDerWaalsContact O-NH2 3.09Å; I206-R241 PolarHBondContact O-NH1 3.49Å; G209-R241 PolarHBondContact O-NH1 3.11Å; S211-R241 PolarHBondContact O-NE 2.82Å; M213-R241 PolarHBondContact SD-NH2 3.39Å; M213-R241 VanDerWaalsContact SD-NH2 3.44Å; R238-R241 PolarHBondContact O-N 3.43Å; A239-R241 VanDerWaalsContact C-N 3.27Å; A239-R241 PolarHBondContact O-N 2.99Å; R241-L243 VanDerWaalsContact C-N 3.32Å; R241-L243 HydrophobicContact CB-CG 4.32Å; R241-L243 HydrophobicContact CG-CD2 4.03Å; R241-L243 HydrophobicContact CG-CG 4.17Å; R241-L243 PolarHBondContact O-N 3.44Å
242	K	91.2	Very high	91.8	Very high	138 Å²	138	69.4 Å²	69.4	60%	0.6	34%	0.339	S	S	*	.			trans	-72.2	85.1	178.6	-177.3	-179.4	173.6	-172.1	0	110.5	P212 M213	P212-K242 WeakPolarHBondContact CA-O 3.22Å; P212-K242 HydrophobicContact CB-CB 4.06Å; P212-K242 HydrophobicContact CB-CD 4.23Å; P212-K242 HydrophobicContact CB-CG 4.35Å; P212-K242 HydrophobicContact CG-CB 4.38Å; M213-K242 PolarHBondContact N-O 3.36Å
243	L	94.7	Very high	91.6	Very high	21 Å²	21	67.8 Å²	67.8	11%	0.11	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.8	178.1	-62.1	175.6	0	0	0	111.2	I206 M213 I235 R238 R241	I206-L243 HydrophobicContact CG2-CD1 4.09Å; M213-L243 HydrophobicContact CB-CD2 3.81Å; M213-L243 CarbonylContact O-C 3.49Å; M213-L243 WeakPolarHBondContact O-CA 3.09Å; I235-L243 HydrophobicContact CB-CB 4.48Å; I235-L243 HydrophobicContact CB-CD1 4.4Å; I235-L243 HydrophobicContact CG1-CB 3.97Å; I235-L243 HydrophobicContact CG1-CD1 4.11Å; I235-L243 HydrophobicContact CG2-CB 4.1Å; R238-L243 HydrophobicContact CB-CD1 3.74Å; R241-L243 VanDerWaalsContact C-N 3.32Å; R241-L243 HydrophobicContact CB-CG 4.32Å; R241-L243 HydrophobicContact CG-CD2 4.03Å; R241-L243 HydrophobicContact CG-CG 4.17Å; R241-L243 PolarHBondContact O-N 3.44Å
244	K	95.8	Very high	91.5	Very high	122 Å²	122	75.4 Å²	75.4	53%	0.53	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	155.8	172.8	-70	-168.4	174.4	-168.4	0	110.7	M213 H214 L215	M213-K244 PolarHBondContact O-N 2.91Å; H214-K244 WeakPolarHBondContact CA-O 3.46Å; H214-K244 HydrophobicContact CB-CB 4.45Å; L215-K244 PolarHBondContact N-O 2.98Å
245	M	97.1	Very high	91.4	Very high	37 Å²	37	76.8 Å²	76.8	18%	0.182	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139	173.8	176.7	174.7	59.6	0	0	110.1	L215 I217 M228 V231 E232 I235 I247	L215-M245 HydrophobicContact CB-CB 4.26Å; L215-M245 HydrophobicContact CB-CG 4.31Å; L215-M245 CarbonylContact O-C 3.56Å; L215-M245 WeakPolarHBondContact O-CA 3.31Å; I217-M245 HydrophobicContact CD1-CG 4.12Å; I217-M245 HydrophobicContact CD1-SD 3.57Å; I217-M245 VanDerWaalsContact CD1-SD 3.57Å; I217-M245 HydrophobicContact CG1-CG 4.5Å; M228-M245 HydrophobicContact CB-CE 4.44Å; M228-M245 HydrophobicContact CG-CE 3.84Å; V231-M245 HydrophobicContact CB-CE 4.35Å; V231-M245 HydrophobicContact CB-SD 3.81Å; V231-M245 HydrophobicContact CG1-CE 4.29Å; V231-M245 HydrophobicContact CG1-SD 3.49Å; V231-M245 WeakPolarHBondContact CG1-SD 3.49Å; E232-M245 HydrophobicContact CG-CE 4.07Å; I235-M245 HydrophobicContact CD1-CB 4.08Å; M245-I247 HydrophobicContact CE-CD1 4.21Å; M245-I247 HydrophobicContact CG-CG1 4.06Å; M245-I247 HydrophobicContact SD-CD1 4.07Å; M245-I247 HydrophobicContact SD-CG1 4.05Å
246	N	97.3	Very high	91.3	Very high	74 Å²	74	77.5 Å²	77.5	40%	0.396	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.1	161.1	-82.8	91.2	0	0	0	108.6	H214 L215 I217 Y248	H214-N246 PolarHBondContact CE1-OD1 2.65Å; H214-N246 PolarHBondContact NE2-OD1 2.81Å; L215-N246 PolarHBondContact O-N 3.24Å; I217-N246 PolarHBondContact N-O 3.45Å; N246-Y248 HydrophobicContact CB-CD2 4.45Å; N246-Y248 HydrophobicContact CB-CE2 3.53Å; N246-Y248 WeakPolarHBondContact CB-OH 3.14Å
247	I	96.1	Very high	91.3	Very high	41 Å²	41	74.6 Å²	74.6	21%	0.21	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.9	176.5	-52.9	-177.4	0	0	0	108.5	I217 T219 K224 M228 M245	I217-I247 HydrophobicContact CB-CG1 4.39Å; I217-I247 CarbonylContact O-C 3.53Å; I217-I247 WeakPolarHBondContact O-CA 3.19Å; T219-I247 HydrophobicContact CG2-CG2 3.44Å; T219-I247 VanDerWaalsContact CG2-CG2 3.44Å; K224-I247 HydrophobicContact CG-CG2 4.18Å; M228-I247 HydrophobicContact CB-CD1 3.63Å; M228-I247 HydrophobicContact CG-CD1 3.81Å; M228-I247 HydrophobicContact SD-CD1 4.31Å; M245-I247 HydrophobicContact CE-CD1 4.21Å; M245-I247 HydrophobicContact CG-CG1 4.06Å; M245-I247 HydrophobicContact SD-CD1 4.07Å; M245-I247 HydrophobicContact SD-CG1 4.05Å
248	Y	96.1	Very high	91.3	Very high	55 Å²	55	75.7 Å²	75.7	22%	0.216	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.3	-176.5	-58.9	-88.3	0	0	0	109.1	H216 I217 F218 T219 N246 I277 L278	H216-Y248 HydrophobicContact CB-CD2 4.44Å; H216-Y248 HydrophobicContact CB-CE2 3.94Å; H216-Y248 AromaticContact ND1-CE2 3.69Å; I217-Y248 PolarHBondContact O-N 2.78Å; F218-Y248 CarbonylContact C-O 3.3Å; F218-Y248 WeakPolarHBondContact CA-O 3.37Å; F218-Y248 HydrophobicContact CD1-CG 4.34Å; F218-Y248 HydrophobicContact CE1-CD2 4.36Å; F218-Y248 HydrophobicContact CE1-CG 4.1Å; F218-Y248 HydrophobicContact CE2-CD2 4.48Å; F218-Y248 HydrophobicContact CZ-CD2 4.28Å; F218-Y248 HydrophobicContact CZ-CG 4.44Å; T219-Y248 PolarHBondContact N-O 2.88Å; N246-Y248 HydrophobicContact CB-CD2 4.45Å; N246-Y248 HydrophobicContact CB-CE2 3.53Å; N246-Y248 WeakPolarHBondContact CB-OH 3.14Å; Y248-I277 HydrophobicContact CD1-CG2 4.19Å; Y248-L278 HydrophobicContact CD1-CD2 4.39Å; Y248-L278 HydrophobicContact CD2-CD2 4.46Å; Y248-L278 HydrophobicContact CE1-CD2 3.74Å; Y248-L278 HydrophobicContact CE2-CD2 3.83Å; Y248-L278 VanDerWaalsContact CZ-CD2 3.43Å
249	K	94.5	Very high	91.6	Very high	141 Å²	141	77.2 Å²	77.2	61%	0.613	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	148.3	170	-171.5	-176.1	172.3	-177.3	0	109.5	Q251	K249-Q251 PolarHBondContact O-N 3.46Å
250	I	93.6	Very high	92.4	Very high	31 Å²	31	73.2 Å²	73.2	16%	0.159	36%	0.361	C	S	.	.			trans	-55	128	165.8	-55	-57.1	0	0	0	110.5	V189 C191 F218 T219 Y252 C267 Q270	V189-I250 HydrophobicContact CG1-CD1 4.05Å; C191-I250 VanDerWaalsContact SG-CD1 3.6Å; C191-I250 VanDerWaalsContact SG-CG1 3.57Å; F218-I250 HydrophobicContact CB-CD1 4.18Å; T219-I250 PolarHBondContact O-N 3.04Å; I250-Y252 HydrophobicContact CG2-CD2 4.04Å; I250-Y252 HydrophobicContact CG2-CE2 3.56Å; I250-C267 HydrophobicContact CD1-CB 4.1Å; I250-Q270 HydrophobicContact CD1-CG 4.15Å
251	Q	93.8	Very high	93	Very high	117 Å²	117	68.6 Å²	68.6	55%	0.547	35%	0.35	S	S	.	.			trans	-142	130.1	-177.7	-179	177.4	-3.8	0	0	110.6	K249 Q270 I277	K249-Q251 PolarHBondContact O-N 3.46Å; Q251-Q270 PolarHBondContact O-NE2 2.69Å; Q251-Q270 PolarHBondContact O-OE1 3.05Å; Q251-I277 HydrophobicContact CB-CD1 4Å
252	Y	94.2	Very high	93	Very high	26 Å²	26	75 Å²	75	10%	0.102	38%	0.381	C	S	.	.			trans	-122.6	167.3	179.7	-74.2	-61.8	0	0	0	111.1	I250 Q254 W260 A261 C267 S269 F273	I250-Y252 HydrophobicContact CG2-CD2 4.04Å; I250-Y252 HydrophobicContact CG2-CE2 3.56Å; Y252-Q254 PolarHBondContact O-N 2.96Å; Y252-W260 HydrophobicContact CD1-CB 3.35Å; Y252-W260 HydrophobicContact CD1-CG 4.18Å; Y252-W260 HydrophobicContact CE1-CB 3.57Å; Y252-W260 HydrophobicContact CG-CB 3.87Å; Y252-A261 HydrophobicContact CD2-CB 4.3Å; Y252-A261 HydrophobicContact CE2-CB 3.69Å; Y252-C267 VanDerWaalsContact OH-CA 3.32Å; Y252-C267 WeakPolarHBondContact OH-CA 3.34Å; Y252-S269 VanDerWaalsContact CE1-OG 3.22Å; Y252-S269 WeakPolarHBondContact CE1-OG 3.03Å; Y252-S269 PolarHBondContact OH-OG 2.95Å; Y252-F273 AromaticContact CD1-CD2 3.63Å; Y252-F273 HydrophobicContact CD1-CD2 3.63Å; Y252-F273 AromaticContact CD1-CE2 3.58Å; Y252-F273 HydrophobicContact CD1-CE2 3.58Å; Y252-F273 AromaticContact CE1-CD2 3.89Å; Y252-F273 HydrophobicContact CE1-CD2 3.89Å; Y252-F273 AromaticContact CE1-CE2 3.82Å; Y252-F273 HydrophobicContact CE1-CE2 3.82Å
253	P	92.4	Very high	92.9	Very high	36 Å²	36	69.9 Å²	69.9	23%	0.234	36%	0.36	C	S	.	.			trans	-55.2	134.8	170	-25.3	35	0	0	0	112	G255 Q256 F273	P253-G255 PolarHBondContact O-N 3.39Å; P253-Q256 HydrophobicContact CB-CB 4.5Å; P253-Q256 PolarHBondContact O-N 3.41Å; P253-Q256 VanDerWaalsContact O-N 3.13Å; P253-F273 HydrophobicContact CG-CD1 3.8Å; P253-F273 HydrophobicContact CG-CE1 3.33Å; P253-F273 HydrophobicContact CG-CZ 3.84Å
254	Q	91.7	Very high	92.4	Very high	187 Å²	187	72.8 Å²	72.8	87%	0.874	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	131.7	-174.9	-173.4	179.6	1.4	0	0	111.8	Y252 Q256 E257	Y252-Q254 PolarHBondContact O-N 2.96Å; Q254-Q256 VanDerWaalsContact C-N 3.27Å; Q254-Q256 PolarHBondContact O-N 3.05Å; Q254-E257 WeakPolarHBondContact CA-OE1 3.44Å
255	G	91.9	Very high	91.9	Very high	67 Å²	67	71.7 Å²	71.7	69%	0.691	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	9.2	-178	0	0	0	0	0	114.6	P253 E257	P253-G255 PolarHBondContact O-N 3.39Å; G255-E257 WeakPolarHBondContact CA-OE2 3.48Å; G255-E257 PolarHBondContact N-OE1 2.82Å; G255-E257 PolarHBondContact N-OE2 2.83Å
256	Q	90.2	Very high	91.3	Very high	50 Å²	50	73.2 Å²	73.2	23%	0.234	38%	0.38	C	S	.	.			trans	-130.4	13.3	175.3	-58.1	-171.6	-10.8	0	0	112.3	P253 Q254 T258 L259 W260	P253-Q256 HydrophobicContact CB-CB 4.5Å; P253-Q256 PolarHBondContact O-N 3.41Å; P253-Q256 VanDerWaalsContact O-N 3.13Å; Q254-Q256 VanDerWaalsContact C-N 3.27Å; Q254-Q256 PolarHBondContact O-N 3.05Å; Q256-T258 PolarHBondContact O-N 2.9Å; Q256-L259 WeakPolarHBondContact O-CB 3.4Å; Q256-L259 PolarHBondContact O-N 3.46Å; Q256-L259 VanDerWaalsContact O-N 3.17Å; Q256-W260 VanDerWaalsContact CB-CD1 3.5Å; Q256-W260 PolarHBondContact O-N 3.44Å; Q256-W260 VanDerWaalsContact O-N 3.07Å
257	E	91.3	Very high	90.8	Very high	89 Å²	89	70.4 Å²	70.4	42%	0.416	37%	0.366	S	S	.	.	H	α-helix	trans	-58.3	-46.2	-168.1	-61	84.5	168.8	0	0	112.2	Q254 G255 A261	Q254-E257 WeakPolarHBondContact CA-OE1 3.44Å; G255-E257 WeakPolarHBondContact CA-OE2 3.48Å; G255-E257 PolarHBondContact N-OE1 2.82Å; G255-E257 PolarHBondContact N-OE2 2.83Å; E257-A261 WeakPolarHBondContact O-CB 3.21Å; E257-A261 PolarHBondContact O-N 2.78Å
258	T	90.3	Very high	90.5	Very high	90 Å²	90	69.1 Å²	69.1	55%	0.552	36%	0.36	S	S	*	.	H	α-helix	trans	-63.7	-47.5	176.4	-49	0	0	0	0	112.1	Q256 W260 A261 E262	Q256-T258 PolarHBondContact O-N 2.9Å; T258-W260 VanDerWaalsContact C-N 3.27Å; T258-W260 PolarHBondContact O-N 3.09Å; T258-A261 PolarHBondContact O-N 2.82Å; T258-E262 HydrophobicContact CG2-CG 4.27Å; T258-E262 WeakPolarHBondContact CG2-OE2 3.22Å; T258-E262 WeakPolarHBondContact O-CB 3.32Å; T258-E262 WeakPolarHBondContact O-CG 3.49Å; T258-E262 PolarHBondContact O-N 3.31Å
259	L	91.6	Very high	90.4	Very high	73 Å²	73	66.5 Å²	66.5	38%	0.382	35%	0.35	S	S	.	.	H	α-helix	trans	-56.1	-42.1	-179.4	174	65.2	0	0	0	111.8	Q256 Y363 L366	Q256-L259 WeakPolarHBondContact O-CB 3.4Å; Q256-L259 PolarHBondContact O-N 3.46Å; Q256-L259 VanDerWaalsContact O-N 3.17Å; L259-Y363 HydrophobicContact CD2-CE2 4.16Å; L259-L366 HydrophobicContact CD1-CD2 4.24Å; L259-L366 HydrophobicContact CD2-CD2 3.97Å; L259-L366 HydrophobicContact CG-CD2 4Å
260	W	93.6	Very high	90.5	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-78.6	-40.4	177.4	-67.1	109.6	0	0	0	112.3	Y252 Q256 T258 E262 L263 S269 L272 F273 L362 Y363 L366 L380	Y252-W260 HydrophobicContact CD1-CB 3.35Å; Y252-W260 HydrophobicContact CD1-CG 4.18Å; Y252-W260 HydrophobicContact CE1-CB 3.57Å; Y252-W260 HydrophobicContact CG-CB 3.87Å; Q256-W260 VanDerWaalsContact CB-CD1 3.5Å; Q256-W260 PolarHBondContact O-N 3.44Å; Q256-W260 VanDerWaalsContact O-N 3.07Å; T258-W260 VanDerWaalsContact C-N 3.27Å; T258-W260 PolarHBondContact O-N 3.09Å; W260-E262 VanDerWaalsContact C-N 3.26Å; W260-E262 PolarHBondContact O-N 2.94Å; W260-L263 HydrophobicContact CE3-CD2 3.84Å; W260-L263 HydrophobicContact CZ3-CD2 3.88Å; W260-L263 WeakPolarHBondContact O-CB 3.38Å; W260-L263 PolarHBondContact O-N 3.33Å; W260-S269 WeakPolarHBondContact O-CB 3.3Å; W260-S269 PolarHBondContact O-OG 2.91Å; W260-L272 HydrophobicContact CE3-CD1 4.25Å; W260-L272 HydrophobicContact CZ3-CD1 3.85Å; W260-F273 HydrophobicContact CB-CE2 4.24Å; W260-F273 AromaticContact CD2-CE2 3.93Å; W260-F273 HydrophobicContact CD2-CE2 3.93Å; W260-F273 AromaticContact CD2-CZ 3.48Å; W260-F273 HydrophobicContact CD2-CZ 3.48Å; W260-F273 VanDerWaalsContact CD2-CZ 3.48Å; W260-F273 AromaticContact CE2-CZ 3.73Å; W260-F273 AromaticContact CE3-CE2 3.95Å; W260-F273 HydrophobicContact CE3-CE2 3.95Å; W260-F273 AromaticContact CE3-CZ 3.65Å; W260-F273 HydrophobicContact CE3-CZ 3.65Å; W260-F273 HydrophobicContact CG-CE2 4.04Å; W260-F273 AromaticContact CG-CZ 3.88Å; W260-F273 HydrophobicContact CG-CZ 3.88Å; W260-F273 HydrophobicContact CH2-CZ 4.29Å; W260-F273 HydrophobicContact CZ2-CZ 4.14Å; W260-F273 HydrophobicContact CZ3-CZ 4.05Å; W260-L362 HydrophobicContact CH2-CB 3.96Å; W260-Y363 HydrophobicContact CZ2-CD2 4.28Å; W260-L366 HydrophobicContact CD2-CD2 4.42Å; W260-L366 HydrophobicContact CE3-CD2 4.21Å; W260-L366 HydrophobicContact CH2-CB 4.13Å; W260-L366 HydrophobicContact CH2-CD2 3.6Å; W260-L366 HydrophobicContact CH2-CG 4.5Å; W260-L366 HydrophobicContact CZ2-CD2 3.83Å; W260-L366 HydrophobicContact CZ3-CD2 3.82Å; W260-L380 HydrophobicContact CH2-CD1 4.06Å; W260-L380 HydrophobicContact CZ3-CD1 3.6Å
261	A	89.8	Confident	90.6	Very high	31 Å²	31	58.8 Å²	58.8	26%	0.256	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-30.2	-180	0	0	0	0	0	114	Y252 E257 T258	Y252-A261 HydrophobicContact CD2-CB 4.3Å; Y252-A261 HydrophobicContact CE2-CB 3.69Å; E257-A261 WeakPolarHBondContact O-CB 3.21Å; E257-A261 PolarHBondContact O-N 2.78Å; T258-A261 PolarHBondContact O-N 2.82Å
262	E	86.4	Confident	90.8	Very high	148 Å²	148	53.2 Å²	53.2	69%	0.692	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	0.7	-176	-62.9	-178.5	166.2	0	0	113.8	T258 W260 F264	T258-E262 HydrophobicContact CG2-CG 4.27Å; T258-E262 WeakPolarHBondContact CG2-OE2 3.22Å; T258-E262 WeakPolarHBondContact O-CB 3.32Å; T258-E262 WeakPolarHBondContact O-CG 3.49Å; T258-E262 PolarHBondContact O-N 3.31Å; W260-E262 VanDerWaalsContact C-N 3.26Å; W260-E262 PolarHBondContact O-N 2.94Å; E262-F264 PolarHBondContact O-N 3.29Å
263	L	88.2	Confident	90.9	Very high	30 Å²	30	52.2 Å²	52.2	16%	0.157	29%	0.285	C	S	.	.	S	Bend	trans	-57.3	-25.8	-170.9	-179.4	61	0	0	0	115.7	W260 L366 D377 L380	W260-L263 HydrophobicContact CE3-CD2 3.84Å; W260-L263 HydrophobicContact CZ3-CD2 3.88Å; W260-L263 WeakPolarHBondContact O-CB 3.38Å; W260-L263 PolarHBondContact O-N 3.33Å; L263-L366 HydrophobicContact CD1-CD1 3.63Å; L263-D377 HydrophobicContact CD2-CB 4.38Å; L263-L380 HydrophobicContact CD2-CD1 3.82Å
264	F	84.4	Confident	91.2	Very high	82 Å²	82	50.5 Å²	50.5	36%	0.36	27%	0.274	S	S	.	.	S	Bend	trans	-160	-61.8	173.8	169.8	-116.4	0	0	0	112.3	E262 T374 W375	E262-F264 PolarHBondContact O-N 3.29Å; F264-T374 WeakPolarHBondContact CD2-O 3.43Å; F264-W375 AromaticContact CE2-CE3 3.67Å; F264-W375 HydrophobicContact CE2-CE3 3.67Å; F264-W375 HydrophobicContact CE2-CZ3 4.09Å; F264-W375 AromaticContact CZ-CE3 3.73Å; F264-W375 HydrophobicContact CZ-CE3 3.73Å; F264-W375 HydrophobicContact CZ-CZ3 4.13Å
265	K	85.4	Confident	91.5	Very high	98 Å²	98	41.6 Å²	41.6	43%	0.426	23%	0.233	S	C	.	.	S	Bend	trans	-130.1	151.4	171.3	-73.7	179.5	-177.9	177.2	0	109	C267 S268	K265-C267 PolarHBondContact O-N 3.49Å; K265-C267 VanDerWaalsContact O-N 3.08Å; K265-S268 PolarHBondContact N-OG 3.11Å; K265-S268 PolarHBondContact O-N 3.3Å; K265-S268 PolarHBondContact O-OG 2.67Å
266	P	84.3	Confident	91.7	Very high	70 Å²	70	42 Å²	42	46%	0.455	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	121	178.5	-29.2	36.1	0	0	0	111.4	K192 S268	K192-P266 HydrophobicContact CD-CB 4.07Å; K192-P266 HydrophobicContact CD-CG 4Å; K192-P266 HydrophobicContact CG-CB 4.48Å; P266-S268 VanDerWaalsContact C-N 3.3Å; P266-S268 PolarHBondContact O-N 2.78Å
267	C	88	Confident	92	Very high	15 Å²	15	41.2 Å²	41.2	10%	0.101	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-1.4	-177.1	-47.3	0	0	0	0	117.8	V189 C191 I250 Y252 K265 S269 Q270	V189-C267 HydrophobicContact CG1-CB 3.66Å; V189-C267 WeakPolarHBondContact CG1-O 3.27Å; C191-C267 HydrophobicContact CB-CB 3.61Å; C191-C267 WeakPolarHBondContact CB-SG 3.43Å; C191-C267 WeakPolarHBondContact SG-CB 3.4Å; C191-C267 CovalentContact SG-SG 2.03Å; C191-C267 PolarHBondContact SG-SG 2.96Å; I250-C267 HydrophobicContact CD1-CB 4.1Å; Y252-C267 VanDerWaalsContact OH-CA 3.32Å; Y252-C267 WeakPolarHBondContact OH-CA 3.34Å; K265-C267 PolarHBondContact O-N 3.49Å; K265-C267 VanDerWaalsContact O-N 3.08Å; C267-S269 VanDerWaalsContact C-N 3.25Å; C267-S269 PolarHBondContact O-N 3.01Å; C267-Q270 WeakPolarHBondContact O-CB 3.02Å; C267-Q270 PolarHBondContact O-N 3.31Å
268	S	89.1	Confident	92.3	Very high	13 Å²	13	37.2 Å²	37.2	9%	0.091	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-57.3	-40.5	-174.3	66.2	0	0	0	0	112.9	K265 P266 Q270 R271 D377	K265-S268 PolarHBondContact N-OG 3.11Å; K265-S268 PolarHBondContact O-N 3.3Å; K265-S268 PolarHBondContact O-OG 2.67Å; P266-S268 VanDerWaalsContact C-N 3.3Å; P266-S268 PolarHBondContact O-N 2.78Å; S268-Q270 PolarHBondContact O-N 3.27Å; S268-R271 PolarHBondContact O-NE 2.69Å; S268-D377 WeakPolarHBondContact CB-OD1 3.48Å; S268-D377 PolarHBondContact OG-OD1 3.44Å
269	S	94.8	Very high	92.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-66.9	-12.4	177.2	60.6	0	0	0	0	114.8	Y252 W260 C267 R271 L272 F273 D377	Y252-S269 VanDerWaalsContact CE1-OG 3.22Å; Y252-S269 WeakPolarHBondContact CE1-OG 3.03Å; Y252-S269 PolarHBondContact OH-OG 2.95Å; W260-S269 WeakPolarHBondContact O-CB 3.3Å; W260-S269 PolarHBondContact O-OG 2.91Å; C267-S269 VanDerWaalsContact C-N 3.25Å; C267-S269 PolarHBondContact O-N 3.01Å; S269-R271 PolarHBondContact O-N 3.25Å; S269-R271 VanDerWaalsContact O-N 3.11Å; S269-L272 VanDerWaalsContact O-CB 3.23Å; S269-L272 WeakPolarHBondContact O-CB 3.42Å; S269-L272 WeakPolarHBondContact O-CG 3.46Å; S269-L272 PolarHBondContact O-N 3.19Å; S269-F273 WeakPolarHBondContact O-CD2 3.49Å; S269-D377 PolarHBondContact N-OD1 2.74Å
270	Q	95.5	Very high	92.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-55.6	-31.1	175.9	177.9	63.5	90.8	0	0	111.6	V189 F218 I250 Q251 C267 S268 L272 F273	V189-Q270 HydrophobicContact CB-CB 4.49Å; V189-Q270 HydrophobicContact CG1-CB 3.93Å; V189-Q270 HydrophobicContact CG1-CG 4.25Å; V189-Q270 HydrophobicContact CG2-CB 3.73Å; V189-Q270 HydrophobicContact CG2-CG 3.65Å; F218-Q270 HydrophobicContact CB-CG 4.08Å; F218-Q270 HydrophobicContact CD1-CG 4.24Å; F218-Q270 HydrophobicContact CG-CG 4.28Å; I250-Q270 HydrophobicContact CD1-CG 4.15Å; Q251-Q270 PolarHBondContact O-NE2 2.69Å; Q251-Q270 PolarHBondContact O-OE1 3.05Å; C267-Q270 WeakPolarHBondContact O-CB 3.02Å; C267-Q270 PolarHBondContact O-N 3.31Å; S268-Q270 PolarHBondContact O-N 3.27Å; Q270-L272 PolarHBondContact O-N 3.27Å; Q270-L272 VanDerWaalsContact O-N 3.12Å; Q270-F273 PolarHBondContact O-N 2.92Å
271	R	96.2	Very high	93.1	Very high	10 Å²	10	41.5 Å²	41.5	4%	0.038	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-55.6	-28.6	176.5	82.6	-175.6	78.1	-160.4	-5.8	112.9	S268 S269 F273 I274 Y286 D288 T343 M346 M348 D377	S268-R271 PolarHBondContact O-NE 2.69Å; S269-R271 PolarHBondContact O-N 3.25Å; S269-R271 VanDerWaalsContact O-N 3.11Å; R271-F273 VanDerWaalsContact C-N 3.32Å; R271-F273 PolarHBondContact O-N 2.84Å; R271-I274 HydrophobicContact CB-CD1 4.41Å; R271-Y286 HydrophobicContact CB-CD1 4.36Å; R271-Y286 HydrophobicContact CB-CD2 3.97Å; R271-Y286 HydrophobicContact CB-CE1 4.07Å; R271-Y286 HydrophobicContact CB-CE2 3.62Å; R271-Y286 HydrophobicContact CB-CG 4.33Å; R271-Y286 VanDerWaalsContact CZ-OH 3.23Å; R271-Y286 VanDerWaalsContact NH1-CE1 3.32Å; R271-Y286 PolarHBondContact NH2-OH 3.03Å; R271-D288 IonicContact CZ-OD1 2.81Å; R271-D288 IonicContact CZ-OD2 3.49Å; R271-D288 IonicContact NH1-OD1 2.69Å; R271-D288 PolarHBondContact NH1-OD1 3.39Å; R271-D288 IonicContact NH1-OD2 3.25Å; R271-D288 PolarHBondContact NH1-OD2 3.17Å; R271-D288 IonicContact NH2-OD1 2.67Å; R271-D288 PolarHBondContact NH2-OD1 3.33Å; R271-D288 IonicContact NH2-OD2 2.95Å; R271-D288 PolarHBondContact NH2-OD2 3.01Å; R271-T343 PolarHBondContact NH1-O 3.07Å; R271-M346 HydrophobicContact CB-CE 4.5Å; R271-M346 HydrophobicContact CG-CE 4.05Å; R271-M348 WeakPolarHBondContact O-CE 3.44Å; R271-D377 WeakPolarHBondContact CD-OD2 3.39Å; R271-D377 IonicContact CZ-OD2 3.6Å; R271-D377 IonicContact NE-OD2 2.96Å; R271-D377 PolarHBondContact NE-OD2 3.2Å; R271-D377 IonicContact NH2-OD2 3.66Å
272	L	97.4	Very high	93.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-67.9	-28.7	178.9	-60.3	177.2	0	0	0	113.2	W260 S269 Q270 W358 L362 D377 L380 I381	W260-L272 HydrophobicContact CE3-CD1 4.25Å; W260-L272 HydrophobicContact CZ3-CD1 3.85Å; S269-L272 VanDerWaalsContact O-CB 3.23Å; S269-L272 WeakPolarHBondContact O-CB 3.42Å; S269-L272 WeakPolarHBondContact O-CG 3.46Å; S269-L272 PolarHBondContact O-N 3.19Å; Q270-L272 PolarHBondContact O-N 3.27Å; Q270-L272 VanDerWaalsContact O-N 3.12Å; L272-W358 HydrophobicContact CD2-CZ2 4.25Å; L272-W358 PolarHBondContact O-NE1 3.45Å; L272-L362 HydrophobicContact CB-CD1 3.78Å; L272-L362 HydrophobicContact CD1-CD1 4.25Å; L272-L362 HydrophobicContact CD2-CD1 4.5Å; L272-L362 HydrophobicContact CD2-CD2 4.41Å; L272-L362 HydrophobicContact CG-CD1 4.41Å; L272-D377 HydrophobicContact CD1-CB 3.69Å; L272-D377 HydrophobicContact CD2-CB 4.07Å; L272-D377 HydrophobicContact CG-CB 3.83Å; L272-L380 HydrophobicContact CD1-CD1 4.03Å; L272-I381 HydrophobicContact CD2-CD1 3.8Å; L272-I381 HydrophobicContact CD2-CG1 3.86Å
273	F	97.2	Very high	94	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.022	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-105.3	1.8	-171.1	-52.8	-73.8	0	0	0	113.9	Y252 P253 W260 S269 Q270 R271 P275 D276 I277 T359 L362	Y252-F273 AromaticContact CD1-CD2 3.63Å; Y252-F273 HydrophobicContact CD1-CD2 3.63Å; Y252-F273 AromaticContact CD1-CE2 3.58Å; Y252-F273 HydrophobicContact CD1-CE2 3.58Å; Y252-F273 AromaticContact CE1-CD2 3.89Å; Y252-F273 HydrophobicContact CE1-CD2 3.89Å; Y252-F273 AromaticContact CE1-CE2 3.82Å; Y252-F273 HydrophobicContact CE1-CE2 3.82Å; P253-F273 HydrophobicContact CG-CD1 3.8Å; P253-F273 HydrophobicContact CG-CE1 3.33Å; P253-F273 HydrophobicContact CG-CZ 3.84Å; W260-F273 HydrophobicContact CB-CE2 4.24Å; W260-F273 AromaticContact CD2-CE2 3.93Å; W260-F273 HydrophobicContact CD2-CE2 3.93Å; W260-F273 AromaticContact CD2-CZ 3.48Å; W260-F273 HydrophobicContact CD2-CZ 3.48Å; W260-F273 VanDerWaalsContact CD2-CZ 3.48Å; W260-F273 AromaticContact CE2-CZ 3.73Å; W260-F273 AromaticContact CE3-CE2 3.95Å; W260-F273 HydrophobicContact CE3-CE2 3.95Å; W260-F273 AromaticContact CE3-CZ 3.65Å; W260-F273 HydrophobicContact CE3-CZ 3.65Å; W260-F273 HydrophobicContact CG-CE2 4.04Å; W260-F273 AromaticContact CG-CZ 3.88Å; W260-F273 HydrophobicContact CG-CZ 3.88Å; W260-F273 HydrophobicContact CH2-CZ 4.29Å; W260-F273 HydrophobicContact CZ2-CZ 4.14Å; W260-F273 HydrophobicContact CZ3-CZ 4.05Å; S269-F273 WeakPolarHBondContact O-CD2 3.49Å; Q270-F273 PolarHBondContact O-N 2.92Å; R271-F273 VanDerWaalsContact C-N 3.32Å; R271-F273 PolarHBondContact O-N 2.84Å; F273-P275 VanDerWaalsContact C-N 3.3Å; F273-D276 PolarHBondContact O-N 2.73Å; F273-D276 VanDerWaalsContact O-N 3.09Å; F273-I277 PolarHBondContact O-N 3.29Å; F273-T359 HydrophobicContact CD1-CG2 3.91Å; F273-T359 HydrophobicContact CE1-CG2 3.82Å; F273-L362 HydrophobicContact CE1-CD1 4.15Å; F273-L362 HydrophobicContact CZ-CD1 4.44Å
274	I	97.8	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-51	-38.8	172.8	-64.1	177.4	0	0	0	113.5	A187 F218 R271 D276 I277 L278 V284 Y286 M348 L350	A187-I274 HydrophobicContact CB-CD1 4.24Å; F218-I274 HydrophobicContact CE2-CD1 4.12Å; F218-I274 HydrophobicContact CE2-CG1 3.97Å; F218-I274 HydrophobicContact CE2-CG2 4.46Å; F218-I274 HydrophobicContact CZ-CB 4.5Å; F218-I274 HydrophobicContact CZ-CG1 3.96Å; F218-I274 HydrophobicContact CZ-CG2 4.24Å; R271-I274 HydrophobicContact CB-CD1 4.41Å; I274-D276 PolarHBondContact O-N 3.36Å; I274-I277 PolarHBondContact O-N 2.81Å; I274-L278 HydrophobicContact CG2-CD1 3.7Å; I274-L278 HydrophobicContact CG2-CG 4.09Å; I274-L278 PolarHBondContact O-N 2.94Å; I274-V284 HydrophobicContact CG2-CG2 4.14Å; I274-Y286 HydrophobicContact CD1-CD2 3.62Å; I274-Y286 HydrophobicContact CD1-CE2 4.25Å; I274-Y286 HydrophobicContact CD1-CG 4.47Å; I274-M348 HydrophobicContact CB-CE 4.32Å; I274-M348 HydrophobicContact CD1-SD 4.44Å; I274-L350 HydrophobicContact CG2-CD1 4.03Å; I274-L350 HydrophobicContact CG2-CD2 4.05Å
275	P	97.6	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-30.9	178	-21.5	31.9	0	0	0	114.5	F273 M348 L350 M353 R354	F273-P275 VanDerWaalsContact C-N 3.3Å; P275-M348 HydrophobicContact CG-CE 4.47Å; P275-L350 HydrophobicContact CB-CD2 4.23Å; P275-L350 HydrophobicContact CG-CD2 3.91Å; P275-M353 HydrophobicContact CB-CB 4.03Å; P275-M353 HydrophobicContact CG-CB 3.91Å; P275-M353 HydrophobicContact CG-CE 3.54Å; P275-M353 HydrophobicContact CG-CG 4.47Å; P275-M353 HydrophobicContact CG-SD 3.8Å; P275-R354 HydrophobicContact CB-CG 4.27Å; P275-R354 WeakPolarHBondContact O-CD 3.3Å; P275-R354 PolarHBondContact O-NH1 2.57Å
276	D	96.6	Very high	95.8	Very high	76 Å²	76	28.8 Å²	28.8	41%	0.406	16%	0.164	S	C	.	.	H	α-helix	trans	-85.1	-28.9	-176.2	-57.8	-26.6	0	0	0	111.6	F273 I274 T279 T359	F273-D276 PolarHBondContact O-N 2.73Å; F273-D276 VanDerWaalsContact O-N 3.09Å; I274-D276 PolarHBondContact O-N 3.36Å; D276-T279 VanDerWaalsContact O-CG2 3.3Å; D276-T279 WeakPolarHBondContact O-CG2 3.5Å; D276-T359 PolarHBondContact OD1-OG1 2.03Å; D276-T359 WeakPolarHBondContact OD2-CB 3.43Å; D276-T359 WeakPolarHBondContact OD2-CG2 3.09Å; D276-T359 PolarHBondContact OD2-OG1 3.08Å
277	I	97	Very high	96.5	Very high	33 Å²	33	25.4 Å²	25.4	17%	0.169	14%	0.142	C	C	.	.	H	α-helix	trans	-85.3	-44.1	178.5	-56.2	164.5	0	0	0	111	F218 Y248 Q251 F273 I274 T279	F218-I277 HydrophobicContact CD1-CD1 4.23Å; F218-I277 HydrophobicContact CE1-CB 4.15Å; F218-I277 HydrophobicContact CE1-CD1 3.75Å; F218-I277 HydrophobicContact CE1-CG2 3.92Å; Y248-I277 HydrophobicContact CD1-CG2 4.19Å; Q251-I277 HydrophobicContact CB-CD1 4Å; F273-I277 PolarHBondContact O-N 3.29Å; I274-I277 PolarHBondContact O-N 2.81Å; I277-T279 VanDerWaalsContact C-N 3.27Å; I277-T279 PolarHBondContact O-N 2.99Å; I277-T279 VanDerWaalsContact O-N 3.13Å
278	L	97.7	Very high	96.9	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	14%	0.144	C	C	.	.			trans	-90.9	55.9	-179	-56.4	-174.3	0	0	0	111.8	H216 F218 Y248 I274 N280 V281 V284 L350 R354	H216-L278 HydrophobicContact CB-CD1 4.16Å; F218-L278 HydrophobicContact CE2-CD1 4.33Å; F218-L278 HydrophobicContact CZ-CD1 4.01Å; F218-L278 HydrophobicContact CZ-CD2 4.03Å; F218-L278 HydrophobicContact CZ-CG 3.9Å; Y248-L278 HydrophobicContact CD1-CD2 4.39Å; Y248-L278 HydrophobicContact CD2-CD2 4.46Å; Y248-L278 HydrophobicContact CE1-CD2 3.74Å; Y248-L278 HydrophobicContact CE2-CD2 3.83Å; Y248-L278 VanDerWaalsContact CZ-CD2 3.43Å; I274-L278 HydrophobicContact CG2-CD1 3.7Å; I274-L278 HydrophobicContact CG2-CG 4.09Å; I274-L278 PolarHBondContact O-N 2.94Å; L278-N280 PolarHBondContact O-N 3.31Å; L278-V281 HydrophobicContact CB-CB 4.05Å; L278-V281 HydrophobicContact CB-CG2 4.07Å; L278-V281 PolarHBondContact O-N 2.93Å; L278-V281 VanDerWaalsContact O-N 3.11Å; L278-V284 HydrophobicContact CD1-CG1 3.9Å; L278-L350 HydrophobicContact CB-CD1 3.79Å; L278-L350 HydrophobicContact CD1-CD1 4.23Å; L278-R354 PolarHBondContact O-NH1 2.86Å
279	T	96.8	Very high	97.2	Very high	78 Å²	78	26 Å²	26	48%	0.479	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-38.3	-177.1	53.8	0	0	0	0	113.7	D276 I277 R354	D276-T279 VanDerWaalsContact O-CG2 3.3Å; D276-T279 WeakPolarHBondContact O-CG2 3.5Å; I277-T279 VanDerWaalsContact C-N 3.27Å; I277-T279 PolarHBondContact O-N 2.99Å; I277-T279 VanDerWaalsContact O-N 3.13Å; T279-R354 VanDerWaalsContact O-CZ 3.3Å; T279-R354 PolarHBondContact O-NH2 3.22Å
280	N	96.3	Very high	97.2	Very high	161 Å²	161	26.4 Å²	26.4	86%	0.861	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	19	-177.9	-62.1	-36.5	0	0	0	114.1	L278	L278-N280 PolarHBondContact O-N 3.31Å
281	V	97.8	Very high	97.3	Very high	16 Å²	16	26.4 Å²	26.4	10%	0.097	15%	0.145	C	C	.	.			trans	-124.1	125.7	177.8	-177	0	0	0	0	109.3	H185 H216 L278 A283 V284 L350 R354	H185-V281 HydrophobicContact CB-CG1 4.41Å; H216-V281 VanDerWaalsContact NE2-CG1 3.27Å; H216-V281 WeakPolarHBondContact NE2-CG1 3.34Å; H216-V281 WeakPolarHBondContact NE2-CG2 3.38Å; L278-V281 HydrophobicContact CB-CB 4.05Å; L278-V281 HydrophobicContact CB-CG2 4.07Å; L278-V281 PolarHBondContact O-N 2.93Å; L278-V281 VanDerWaalsContact O-N 3.11Å; V281-A283 VanDerWaalsContact CG1-O 3.29Å; V281-A283 WeakPolarHBondContact CG1-O 3.24Å; V281-V284 HydrophobicContact CG1-CG1 3.96Å; V281-L350 HydrophobicContact CB-CD1 4.37Å; V281-L350 HydrophobicContact CG1-CD1 4.46Å; V281-R354 PolarHBondContact O-NH2 3.22Å
282	D	97.9	Very high	97.4	Very high	107 Å²	107	26 Å²	26	57%	0.572	14%	0.144	S	C	*	.	S	Bend	trans	-73.9	-34.9	-177	-81.4	-60.2	0	0	0	114.2	N349 L350 T351	D282-N349 CarbonylContact O-C 3.55Å; D282-L350 PolarHBondContact O-N 3.13Å; D282-T351 PolarHBondContact O-N 2.97Å; D282-T351 VanDerWaalsContact O-N 3.11Å; D282-T351 VanDerWaalsContact OD1-CB 3.3Å; D282-T351 WeakPolarHBondContact OD1-CB 3.35Å; D282-T351 PolarHBondContact OD1-OG1 3.25Å
283	A	98.5	Very high	97.4	Very high	13 Å²	13	26 Å²	26	11%	0.107	14%	0.143	C	C	.	.			trans	-153.8	152.3	-175.4	0	0	0	0	0	112.1	V281 W301 F304 M348	V281-A283 VanDerWaalsContact CG1-O 3.29Å; V281-A283 WeakPolarHBondContact CG1-O 3.24Å; A283-W301 HydrophobicContact CB-CH2 4.23Å; A283-W301 WeakPolarHBondContact O-CH2 3.39Å; A283-F304 HydrophobicContact CB-CD2 4.49Å; A283-F304 HydrophobicContact CB-CE1 4.16Å; A283-F304 HydrophobicContact CB-CE2 3.89Å; A283-F304 HydrophobicContact CB-CZ 3.7Å; A283-M348 CarbonylContact C-O 3.42Å; A283-M348 WeakPolarHBondContact CA-O 3.38Å
284	V	98.7	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.7	169.9	-60.5	0	0	0	0	111	H185 A187 I274 L278 V281 M348 L350	H185-V284 HydrophobicContact CB-CB 4.48Å; H185-V284 HydrophobicContact CB-CG1 3.96Å; H185-V284 CarbonylContact O-C 3.32Å; H185-V284 VanDerWaalsContact O-CA 3.3Å; H185-V284 WeakPolarHBondContact O-CA 3.28Å; A187-V284 HydrophobicContact CB-CB 4.07Å; A187-V284 HydrophobicContact CB-CG1 4.42Å; A187-V284 HydrophobicContact CB-CG2 4.06Å; I274-V284 HydrophobicContact CG2-CG2 4.14Å; L278-V284 HydrophobicContact CD1-CG1 3.9Å; V281-V284 HydrophobicContact CG1-CG1 3.96Å; V284-M348 HydrophobicContact CG2-CB 3.9Å; V284-M348 HydrophobicContact CG2-CG 4.37Å; V284-M348 HydrophobicContact CG2-SD 4.07Å; V284-M348 PolarHBondContact N-O 3.44Å; V284-M348 PolarHBondContact O-N 2.93Å; V284-L350 HydrophobicContact CG1-CD1 3.91Å; V284-L350 HydrophobicContact CG2-CD1 4.2Å; V284-L350 HydrophobicContact CG2-CD2 4.07Å; V284-L350 HydrophobicContact CG2-CG 4.27Å
285	L	98.7	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	111.5	158	171.4	63.2	0	0	0	106.5	H185 L186 A187 V287 F293 V297 I300 W301 V345 M346 L347	H185-L285 PolarHBondContact O-N 3.18Å; L186-L285 CarbonylContact C-O 3.47Å; L186-L285 WeakPolarHBondContact CA-O 3.37Å; L186-L285 HydrophobicContact CD1-CB 4.43Å; L186-L285 HydrophobicContact CD1-CD2 4.09Å; L186-L285 HydrophobicContact CD1-CG 4.07Å; L186-L285 WeakPolarHBondContact CD1-O 3.47Å; A187-L285 PolarHBondContact N-O 2.88Å; L285-V287 HydrophobicContact CD1-CG1 4.37Å; L285-V287 HydrophobicContact CG-CG1 4.25Å; L285-F293 HydrophobicContact CD2-CE1 3.95Å; L285-F293 HydrophobicContact CD2-CZ 3.9Å; L285-V297 HydrophobicContact CD2-CG1 3.56Å; L285-I300 HydrophobicContact CD1-CD1 4.02Å; L285-I300 HydrophobicContact CD1-CG1 4.38Å; L285-I300 HydrophobicContact CD1-CG2 4.49Å; L285-I300 HydrophobicContact CD2-CG2 3.62Å; L285-W301 HydrophobicContact CB-CE3 4.21Å; L285-W301 HydrophobicContact CB-CZ3 4.39Å; L285-V345 HydrophobicContact CD1-CG1 4.05Å; L285-M346 CarbonylContact C-O 3.56Å; L285-L347 HydrophobicContact CB-CD2 4.28Å; L285-L347 HydrophobicContact CD1-CD2 3.9Å; L285-L347 HydrophobicContact CD1-CG 4.24Å
286	Y	98.7	Very high	96.7	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.5	168.7	173	-87	0	0	0	110	A187 V189 R271 I274 D288 M346 M348	A187-Y286 HydrophobicContact CB-CD2 4.47Å; A187-Y286 WeakPolarHBondContact O-CA 3.45Å; V189-Y286 HydrophobicContact CG2-CE2 3.91Å; R271-Y286 HydrophobicContact CB-CD1 4.36Å; R271-Y286 HydrophobicContact CB-CD2 3.97Å; R271-Y286 HydrophobicContact CB-CE1 4.07Å; R271-Y286 HydrophobicContact CB-CE2 3.62Å; R271-Y286 HydrophobicContact CB-CG 4.33Å; R271-Y286 VanDerWaalsContact CZ-OH 3.23Å; R271-Y286 VanDerWaalsContact NH1-CE1 3.32Å; R271-Y286 PolarHBondContact NH2-OH 3.03Å; I274-Y286 HydrophobicContact CD1-CD2 3.62Å; I274-Y286 HydrophobicContact CD1-CE2 4.25Å; I274-Y286 HydrophobicContact CD1-CG 4.47Å; Y286-D288 PolarHBondContact OH-OD1 3.38Å; Y286-M346 HydrophobicContact CD1-CE 3.82Å; Y286-M346 HydrophobicContact CE1-CE 4.44Å; Y286-M346 HydrophobicContact CG-CE 4.39Å; Y286-M346 PolarHBondContact N-O 3.02Å; Y286-M346 PolarHBondContact O-N 3.32Å; Y286-M348 VanDerWaalsContact CB-SD 3.54Å; Y286-M348 HydrophobicContact CG-SD 4.3Å
287	V	98.3	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.4	168.1	-62.8	0	0	0	0	112	L186 A187 M201 L285 V291 F293 G344 V345	L186-V287 HydrophobicContact CD1-CG1 4.36Å; L186-V287 HydrophobicContact CD1-CG2 3.86Å; A187-V287 PolarHBondContact O-N 3.03Å; A187-V287 VanDerWaalsContact O-N 3.11Å; M201-V287 HydrophobicContact CE-CG2 3.71Å; M201-V287 HydrophobicContact CG-CG2 4.08Å; M201-V287 HydrophobicContact SD-CG2 3.56Å; M201-V287 VanDerWaalsContact SD-CG2 3.56Å; L285-V287 HydrophobicContact CD1-CG1 4.37Å; L285-V287 HydrophobicContact CG-CG1 4.25Å; V287-V291 HydrophobicContact CB-CB 4.3Å; V287-V291 HydrophobicContact CB-CG1 4.34Å; V287-V291 HydrophobicContact CB-CG2 4.37Å; V287-V291 HydrophobicContact CG1-CG1 4.36Å; V287-F293 HydrophobicContact CG1-CE2 4.44Å; V287-F293 HydrophobicContact CG1-CZ 3.82Å; V287-F293 HydrophobicContact CG2-CE2 4.44Å; V287-G344 CarbonylContact C-O 3.55Å; V287-G344 WeakPolarHBondContact CA-O 3.38Å; V287-V345 HydrophobicContact CG1-CG1 4.24Å; V287-V345 HydrophobicContact CG1-CG2 4.38Å
288	D	96.3	Very high	96.4	Very high	29 Å²	29	25.7 Å²	25.7	16%	0.155	14%	0.138	C	C	.	.			trans	-68.4	159.4	163.6	-91.3	-50.6	0	0	0	111.2	R271 Y286 D290 V291 G344	R271-D288 IonicContact CZ-OD1 2.81Å; R271-D288 IonicContact CZ-OD2 3.49Å; R271-D288 IonicContact NH1-OD1 2.69Å; R271-D288 PolarHBondContact NH1-OD1 3.39Å; R271-D288 IonicContact NH1-OD2 3.25Å; R271-D288 PolarHBondContact NH1-OD2 3.17Å; R271-D288 IonicContact NH2-OD1 2.67Å; R271-D288 PolarHBondContact NH2-OD1 3.33Å; R271-D288 IonicContact NH2-OD2 2.95Å; R271-D288 PolarHBondContact NH2-OD2 3.01Å; Y286-D288 PolarHBondContact OH-OD1 3.38Å; D288-D290 WeakPolarHBondContact CB-OD1 3.26Å; D288-V291 HydrophobicContact CB-CG2 4.11Å; D288-V291 VanDerWaalsContact O-CB 3.28Å; D288-V291 WeakPolarHBondContact O-CB 3.25Å; D288-V291 WeakPolarHBondContact O-CG2 3.48Å; D288-V291 PolarHBondContact O-N 3.41Å; D288-G344 PolarHBondContact N-O 3.32Å; D288-G344 WeakPolarHBondContact OD2-CA 3.48Å
289	I	95.6	Very high	96.3	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.051	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-19.3	-176.6	48.9	165.1	0	0	0	114.1	V188 V189 V190 R194 E197 A198 V291	V188-I289 HydrophobicContact CG2-CG2 3.41Å; V188-I289 VanDerWaalsContact CG2-CG2 3.41Å; V189-I289 VanDerWaalsContact O-CG2 3.26Å; V189-I289 WeakPolarHBondContact O-CG2 3.46Å; V190-I289 HydrophobicContact CG2-CG2 4.09Å; R194-I289 HydrophobicContact CB-CD1 3.38Å; R194-I289 HydrophobicContact CG-CD1 4.18Å; E197-I289 CarbonylContact C-O 3.56Å; E197-I289 HydrophobicContact CB-CB 4.44Å; A198-I289 HydrophobicContact CB-CB 4.19Å; A198-I289 HydrophobicContact CB-CG2 3.6Å; I289-V291 PolarHBondContact O-N 3.34Å
290	D	95.3	Very high	96.3	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.053	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	37.2	170.9	37.8	22.7	0	0	0	111.6	R194 D288 H424 G425 F430	R194-D290 IonicContact CZ-OD2 3.01Å; R194-D290 IonicContact NH1-OD2 2.74Å; R194-D290 PolarHBondContact NH1-OD2 3.09Å; R194-D290 IonicContact NH2-OD2 3.68Å; R194-D290 PolarHBondContact NH2-OD2 3.46Å; D288-D290 WeakPolarHBondContact CB-OD1 3.26Å; D290-H424 CarbonylContact O-C 3.56Å; D290-H424 WeakPolarHBondContact O-CA 3.17Å; D290-H424 PolarHBondContact O-CD2 3.19Å; D290-H424 IonicContact OD1-CD2 2.87Å; D290-H424 IonicContact OD1-NE2 3.3Å; D290-G425 PolarHBondContact O-N 3.23Å; D290-F430 VanDerWaalsContact C-CE2 3.47Å; D290-F430 HydrophobicContact CB-CD2 4.28Å; D290-F430 HydrophobicContact CB-CE2 4.44Å; D290-F430 WeakPolarHBondContact O-CE2 3.47Å
291	V	97.4	Very high	96.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.7	174.7	177.7	0	0	0	0	110.7	M201 V287 D288 I289 V345 I422 L423 H424	M201-V291 WeakPolarHBondContact CB-O 3.11Å; M201-V291 HydrophobicContact CG-CB 4.41Å; M201-V291 WeakPolarHBondContact CG-O 3.4Å; V287-V291 HydrophobicContact CB-CB 4.3Å; V287-V291 HydrophobicContact CB-CG1 4.34Å; V287-V291 HydrophobicContact CB-CG2 4.37Å; V287-V291 HydrophobicContact CG1-CG1 4.36Å; D288-V291 HydrophobicContact CB-CG2 4.11Å; D288-V291 VanDerWaalsContact O-CB 3.28Å; D288-V291 WeakPolarHBondContact O-CB 3.25Å; D288-V291 WeakPolarHBondContact O-CG2 3.48Å; D288-V291 PolarHBondContact O-N 3.41Å; I289-V291 PolarHBondContact O-N 3.34Å; V291-V345 HydrophobicContact CG1-CG2 4.24Å; V291-V345 HydrophobicContact CG2-CG2 4.3Å; V291-I422 HydrophobicContact CG1-CG2 3.23Å; V291-L423 CarbonylContact C-O 3.6Å; V291-L423 WeakPolarHBondContact CA-O 3.45Å; V291-H424 HydrophobicContact CG2-CB 4.4Å
292	I	97.5	Very high	96.2	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.2	175.5	-65.3	-66.4	0	0	0	108.9	T200 L294 L423 F430 Y442 I445	T200-I292 HydrophobicContact CG2-CD1 3.74Å; I292-L294 HydrophobicContact CG2-CD2 3.98Å; I292-L423 HydrophobicContact CB-CB 4.37Å; I292-L423 PolarHBondContact N-O 2.94Å; I292-L423 PolarHBondContact O-N 2.65Å; I292-F430 HydrophobicContact CB-CZ 4.14Å; I292-F430 HydrophobicContact CG1-CE1 4.42Å; I292-F430 HydrophobicContact CG1-CE2 3.63Å; I292-F430 HydrophobicContact CG1-CZ 3.52Å; I292-Y442 HydrophobicContact CD1-CD2 4Å; I292-Y442 HydrophobicContact CG1-CD2 4.18Å; I292-I445 HydrophobicContact CD1-CB 4.46Å; I292-I445 HydrophobicContact CD1-CG2 4.18Å; I292-I445 HydrophobicContact CG2-CD1 4.08Å; I292-I445 HydrophobicContact CG2-CG1 3.87Å
293	F	97.1	Very high	96.1	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	136	171	-67.1	-85.8	0	0	0	109.8	L186 M201 S204 A205 F208 L285 V287 V297 I300 I422	L186-F293 HydrophobicContact CD1-CE2 4.35Å; L186-F293 HydrophobicContact CD1-CZ 4.07Å; L186-F293 HydrophobicContact CD2-CE2 4.28Å; M201-F293 HydrophobicContact SD-CE2 4.04Å; S204-F293 PolarHBondContact OG-N 3.09Å; A205-F293 HydrophobicContact CB-CD2 3.77Å; A205-F293 HydrophobicContact CB-CE2 3.87Å; F208-F293 HydrophobicContact CD2-CB 4.47Å; F208-F293 WeakPolarHBondContact CD2-O 3.35Å; F208-F293 WeakPolarHBondContact CE2-O 3.5Å; L285-F293 HydrophobicContact CD2-CE1 3.95Å; L285-F293 HydrophobicContact CD2-CZ 3.9Å; V287-F293 HydrophobicContact CG1-CE2 4.44Å; V287-F293 HydrophobicContact CG1-CZ 3.82Å; V287-F293 HydrophobicContact CG2-CE2 4.44Å; F293-V297 HydrophobicContact CB-CG2 4.47Å; F293-V297 HydrophobicContact CD1-CB 4.4Å; F293-V297 HydrophobicContact CD1-CG1 4.28Å; F293-V297 HydrophobicContact CD1-CG2 3.81Å; F293-V297 HydrophobicContact CD2-CG2 4.24Å; F293-V297 HydrophobicContact CE1-CB 4.32Å; F293-V297 HydrophobicContact CE1-CG1 3.71Å; F293-V297 HydrophobicContact CE1-CG2 4.06Å; F293-V297 HydrophobicContact CE2-CG2 4.46Å; F293-V297 HydrophobicContact CG-CG2 3.91Å; F293-V297 HydrophobicContact CZ-CG1 3.89Å; F293-V297 HydrophobicContact CZ-CG2 4.38Å; F293-I300 HydrophobicContact CE1-CG2 4.44Å; F293-I422 HydrophobicContact CD1-CD1 3.79Å; F293-I422 HydrophobicContact CD1-CG1 3.8Å; F293-I422 HydrophobicContact CE1-CD1 3.55Å; F293-I422 HydrophobicContact CE1-CG1 4.11Å
294	L	94.7	Very high	96.1	Very high	23 Å²	23	13.8 Å²	13.8	12%	0.12	6%	0.064	C	C	.	.	S	Bend	trans	-118.1	-12.8	171.5	-61.2	180	0	0	0	112.2	W133 I292 I420 S421 L423 T441	W133-L294 HydrophobicContact CZ3-CD1 4.45Å; I292-L294 HydrophobicContact CG2-CD2 3.98Å; L294-I420 HydrophobicContact CD1-CB 4.44Å; L294-I420 HydrophobicContact CD1-CG2 4.13Å; L294-S421 PolarHBondContact N-O 3.37Å; L294-L423 HydrophobicContact CD1-CB 4.07Å; L294-L423 HydrophobicContact CG-CB 4.43Å; L294-T441 HydrophobicContact CD2-CG2 3.93Å
295	R	90.6	Very high	95.9	Very high	71 Å²	71	20.3 Å²	20.3	27%	0.268	9%	0.093	S	C	.	.	S	Bend	trans	-119.2	163.6	170.8	-83.6	179.5	58.5	-163.5	5.2	111.4	V297 D299 W399 S421	R295-V297 PolarHBondContact O-N 2.63Å; R295-D299 IonicContact CZ-OD2 3.76Å; R295-D299 VanDerWaalsContact CZ-OD2 3.25Å; R295-D299 IonicContact NE-OD2 3.64Å; R295-D299 PolarHBondContact NE-OD2 3.48Å; R295-D299 IonicContact NH2-OD2 3.95Å; R295-D299 PolarHBondContact NH2-OD2 2.91Å; R295-W399 VanDerWaalsContact CZ-CH2 3.48Å; R295-W399 VanDerWaalsContact NH1-CZ2 3.34Å; R295-S421 WeakPolarHBondContact CD-OG 3.39Å; R295-S421 PolarHBondContact N-O 3.48Å; R295-S421 VanDerWaalsContact N-O 3.13Å; R295-S421 PolarHBondContact NH1-OG 3.17Å
296	P	93.1	Very high	95.9	Very high	12 Å²	12	27.9 Å²	27.9	8%	0.078	12%	0.121	C	C	.	.			trans	-54.8	136.1	176.3	-23.9	35.2	0	0	0	112	F208 E298 D299	F208-P296 WeakPolarHBondContact O-CA 3.43Å; P296-E298 HydrophobicContact CB-CG 3.72Å; P296-E298 VanDerWaalsContact CB-OE2 3.31Å; P296-E298 WeakPolarHBondContact CB-OE2 3.22Å; P296-E298 PolarHBondContact O-N 3.29Å; P296-D299 WeakPolarHBondContact O-CB 3.39Å; P296-D299 PolarHBondContact O-N 2.72Å
297	V	94.1	Very high	95.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.1	-27.7	-173.8	-169.1	0	0	0	0	111.4	V184 A205 M213 L285 F293 R295 D299 I300 W301	V184-V297 HydrophobicContact CG1-CB 4.47Å; V184-V297 HydrophobicContact CG1-CG1 3.83Å; A205-V297 HydrophobicContact CB-CG2 3.97Å; M213-V297 HydrophobicContact CE-CB 3.76Å; M213-V297 HydrophobicContact CE-CG1 3.91Å; M213-V297 HydrophobicContact CE-CG2 3.77Å; L285-V297 HydrophobicContact CD2-CG1 3.56Å; F293-V297 HydrophobicContact CB-CG2 4.47Å; F293-V297 HydrophobicContact CD1-CB 4.4Å; F293-V297 HydrophobicContact CD1-CG1 4.28Å; F293-V297 HydrophobicContact CD1-CG2 3.81Å; F293-V297 HydrophobicContact CD2-CG2 4.24Å; F293-V297 HydrophobicContact CE1-CB 4.32Å; F293-V297 HydrophobicContact CE1-CG1 3.71Å; F293-V297 HydrophobicContact CE1-CG2 4.06Å; F293-V297 HydrophobicContact CE2-CG2 4.46Å; F293-V297 HydrophobicContact CG-CG2 3.91Å; F293-V297 HydrophobicContact CZ-CG1 3.89Å; F293-V297 HydrophobicContact CZ-CG2 4.38Å; R295-V297 PolarHBondContact O-N 2.63Å; V297-D299 VanDerWaalsContact C-N 3.28Å; V297-D299 PolarHBondContact O-N 2.77Å; V297-I300 WeakPolarHBondContact O-CG2 3.27Å; V297-I300 PolarHBondContact O-N 3.23Å; V297-W301 PolarHBondContact O-N 3.29Å
298	E	93.7	Very high	95.8	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-31.3	169.3	48.2	-95.6	-98	0	0	114	F180 V184 G209 V210 S211 P296 I300 W301 Q302	F180-E298 HydrophobicContact CD2-CB 3.61Å; F180-E298 HydrophobicContact CD2-CG 3.75Å; F180-E298 HydrophobicContact CE2-CB 4.11Å; F180-E298 HydrophobicContact CE2-CG 4.01Å; F180-E298 HydrophobicContact CG-CB 4.45Å; V184-E298 HydrophobicContact CG2-CB 4.23Å; G209-E298 WeakPolarHBondContact CA-OE2 2.94Å; V210-E298 WeakPolarHBondContact CA-OE1 3.47Å; V210-E298 WeakPolarHBondContact CG2-OE1 3.13Å; V210-E298 PolarHBondContact N-OE1 2.69Å; V210-E298 PolarHBondContact N-OE2 2.91Å; S211-E298 VanDerWaalsContact CB-OE1 3.29Å; S211-E298 WeakPolarHBondContact CB-OE1 3.16Å; S211-E298 PolarHBondContact N-OE1 2.76Å; S211-E298 WeakPolarHBondContact OG-CB 3.27Å; S211-E298 VanDerWaalsContact OG-CD 3.31Å; S211-E298 PolarHBondContact OG-OE1 3.48Å; P296-E298 HydrophobicContact CB-CG 3.72Å; P296-E298 VanDerWaalsContact CB-OE2 3.31Å; P296-E298 WeakPolarHBondContact CB-OE2 3.22Å; P296-E298 PolarHBondContact O-N 3.29Å; E298-I300 VanDerWaalsContact C-N 3.32Å; E298-I300 PolarHBondContact O-N 2.75Å; E298-W301 WeakPolarHBondContact O-CB 3.42Å; E298-W301 PolarHBondContact O-N 3.36Å; E298-W301 VanDerWaalsContact O-N 3.13Å; E298-Q302 WeakPolarHBondContact O-CG 2.98Å; E298-Q302 PolarHBondContact O-N 3.46Å
299	D	94.3	Very high	95.8	Very high	28 Å²	28	35.4 Å²	35.4	15%	0.15	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-38.9	-177.6	-72.6	-6.2	0	0	0	111.4	R295 P296 V297 W399	R295-D299 IonicContact CZ-OD2 3.76Å; R295-D299 VanDerWaalsContact CZ-OD2 3.25Å; R295-D299 IonicContact NE-OD2 3.64Å; R295-D299 PolarHBondContact NE-OD2 3.48Å; R295-D299 IonicContact NH2-OD2 3.95Å; R295-D299 PolarHBondContact NH2-OD2 2.91Å; P296-D299 WeakPolarHBondContact O-CB 3.39Å; P296-D299 PolarHBondContact O-N 2.72Å; V297-D299 VanDerWaalsContact C-N 3.28Å; V297-D299 PolarHBondContact O-N 2.77Å; D299-W399 HydrophobicContact CB-CH2 3.58Å; D299-W399 HydrophobicContact CB-CZ3 4.17Å
300	I	96.8	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-75.4	-36.3	172.8	-175.6	165.4	0	0	0	111.1	L285 F293 V297 E298 Q302 L303 V345 L347 F395 W399 I422	L285-I300 HydrophobicContact CD1-CD1 4.02Å; L285-I300 HydrophobicContact CD1-CG1 4.38Å; L285-I300 HydrophobicContact CD1-CG2 4.49Å; L285-I300 HydrophobicContact CD2-CG2 3.62Å; F293-I300 HydrophobicContact CE1-CG2 4.44Å; V297-I300 WeakPolarHBondContact O-CG2 3.27Å; V297-I300 PolarHBondContact O-N 3.23Å; E298-I300 VanDerWaalsContact C-N 3.32Å; E298-I300 PolarHBondContact O-N 2.75Å; I300-Q302 VanDerWaalsContact C-N 3.29Å; I300-Q302 PolarHBondContact O-N 2.85Å; I300-L303 HydrophobicContact CG1-CD1 4.11Å; I300-L303 VanDerWaalsContact O-CB 3.24Å; I300-L303 WeakPolarHBondContact O-CB 2.96Å; I300-L303 WeakPolarHBondContact O-CG 3.41Å; I300-L303 PolarHBondContact O-N 3.34Å; I300-V345 HydrophobicContact CD1-CG1 3.53Å; I300-L347 HydrophobicContact CG1-CD1 3.98Å; I300-L347 HydrophobicContact CG1-CD2 4.19Å; I300-L347 HydrophobicContact CG1-CG 4.17Å; I300-L347 WeakPolarHBondContact O-CD1 3.25Å; I300-F395 HydrophobicContact CD1-CE1 4.16Å; I300-F395 HydrophobicContact CD1-CZ 4.06Å; I300-W399 HydrophobicContact CB-CD2 4.35Å; I300-W399 HydrophobicContact CB-CE3 3.6Å; I300-W399 HydrophobicContact CB-CH2 4.42Å; I300-W399 HydrophobicContact CB-CZ3 3.64Å; I300-W399 HydrophobicContact CD1-CB 4.2Å; I300-W399 HydrophobicContact CD1-CD2 4.4Å; I300-W399 HydrophobicContact CD1-CE3 4Å; I300-W399 HydrophobicContact CG1-CD2 4.48Å; I300-W399 HydrophobicContact CG1-CE3 4.08Å; I300-W399 HydrophobicContact CG2-CE3 4.5Å; I300-W399 HydrophobicContact CG2-CZ3 4.39Å; I300-I422 HydrophobicContact CD1-CD1 3.66Å; I300-I422 HydrophobicContact CG2-CD1 4.19Å
301	W	97.4	Very high	96	Very high	25 Å²	25	41.4 Å²	41.4	10%	0.095	20%	0.201	C	C	.	.	H	α-helix	trans	-57.6	-39.7	175.1	-173.4	-100	0	0	0	112.4	T183 V184 H185 A283 L285 V297 E298 L303 F304	T183-W301 VanDerWaalsContact O-CZ2 3.25Å; T183-W301 WeakPolarHBondContact O-CZ2 3.32Å; V184-W301 HydrophobicContact CB-CD2 4.37Å; V184-W301 HydrophobicContact CB-CE3 4.46Å; V184-W301 HydrophobicContact CG1-CD2 4.22Å; V184-W301 HydrophobicContact CG1-CE3 3.92Å; V184-W301 HydrophobicContact CG2-CB 4.13Å; V184-W301 HydrophobicContact CG2-CD2 4.26Å; V184-W301 HydrophobicContact CG2-CG 3.96Å; H185-W301 HydrophobicContact CB-CH2 3.84Å; H185-W301 HydrophobicContact CB-CZ3 4.18Å; H185-W301 AromaticContact CD2-CH2 3.98Å; H185-W301 VanDerWaalsContact N-CH2 3.32Å; H185-W301 VanDerWaalsContact N-CZ3 3.34Å; H185-W301 WeakPolarHBondContact O-CZ3 3.17Å; A283-W301 HydrophobicContact CB-CH2 4.23Å; A283-W301 WeakPolarHBondContact O-CH2 3.39Å; L285-W301 HydrophobicContact CB-CE3 4.21Å; L285-W301 HydrophobicContact CB-CZ3 4.39Å; V297-W301 PolarHBondContact O-N 3.29Å; E298-W301 WeakPolarHBondContact O-CB 3.42Å; E298-W301 PolarHBondContact O-N 3.36Å; E298-W301 VanDerWaalsContact O-N 3.13Å; W301-L303 PolarHBondContact O-N 3.45Å; W301-L303 VanDerWaalsContact O-N 3.09Å; W301-F304 HydrophobicContact CD2-CD2 4.12Å; W301-F304 HydrophobicContact CD2-CE2 4.19Å; W301-F304 HydrophobicContact CE3-CD2 4.18Å; W301-F304 AromaticContact CE3-CE2 3.77Å; W301-F304 HydrophobicContact CE3-CE2 3.77Å; W301-F304 HydrophobicContact CH2-CE2 4.16Å; W301-F304 HydrophobicContact CZ3-CD2 4.47Å; W301-F304 AromaticContact CZ3-CE2 3.77Å; W301-F304 HydrophobicContact CZ3-CE2 3.77Å; W301-F304 WeakPolarHBondContact O-CB 3.39Å; W301-F304 WeakPolarHBondContact O-CD2 3.23Å; W301-F304 PolarHBondContact O-N 3.34Å; W301-F304 VanDerWaalsContact O-N 3.12Å
302	Q	95.5	Very high	96	Very high	32 Å²	32	41.4 Å²	41.4	15%	0.15	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-61	-18.7	176.4	-66.2	-45.7	-64.5	0	0	113.5	F180 D182 E298 I300 F304 K305	F180-Q302 HydrophobicContact CD1-CG 3.9Å; F180-Q302 VanDerWaalsContact CD1-NE2 3.27Å; F180-Q302 HydrophobicContact CD2-CG 4.43Å; F180-Q302 HydrophobicContact CE1-CG 3.48Å; F180-Q302 VanDerWaalsContact CE1-CG 3.48Å; F180-Q302 HydrophobicContact CE2-CG 4.04Å; F180-Q302 HydrophobicContact CG-CG 4.35Å; F180-Q302 HydrophobicContact CZ-CG 3.55Å; D182-Q302 PolarHBondContact OD2-NE2 2.89Å; E298-Q302 WeakPolarHBondContact O-CG 2.98Å; E298-Q302 PolarHBondContact O-N 3.46Å; I300-Q302 VanDerWaalsContact C-N 3.29Å; I300-Q302 PolarHBondContact O-N 2.85Å; Q302-F304 PolarHBondContact O-N 3.09Å; Q302-K305 WeakPolarHBondContact O-CB 3.26Å; Q302-K305 PolarHBondContact O-N 3.19Å; Q302-K305 VanDerWaalsContact OE1-CE 3.24Å
303	L	96.8	Very high	96.1	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.073	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-65.1	-20.1	176	-56.7	-179.1	0	0	0	112.9	I300 W301 K305 R306 F307 L347 F393 F395	I300-L303 HydrophobicContact CG1-CD1 4.11Å; I300-L303 VanDerWaalsContact O-CB 3.24Å; I300-L303 WeakPolarHBondContact O-CB 2.96Å; I300-L303 WeakPolarHBondContact O-CG 3.41Å; I300-L303 PolarHBondContact O-N 3.34Å; W301-L303 PolarHBondContact O-N 3.45Å; W301-L303 VanDerWaalsContact O-N 3.09Å; L303-K305 PolarHBondContact O-N 3.42Å; L303-R306 WeakPolarHBondContact O-CB 3.32Å; L303-R306 PolarHBondContact O-N 3.44Å; L303-F307 WeakPolarHBondContact O-CD1 3.32Å; L303-L347 HydrophobicContact CB-CD1 3.67Å; L303-L347 HydrophobicContact CD1-CD1 4.27Å; L303-L347 HydrophobicContact CG-CD1 4.49Å; L303-F393 HydrophobicContact CB-CE1 4.07Å; L303-F393 HydrophobicContact CD1-CE1 4.41Å; L303-F395 HydrophobicContact CD1-CB 3.88Å; L303-F395 HydrophobicContact CD1-CD1 4.05Å; L303-F395 HydrophobicContact CD1-CG 4.23Å
304	F	97.1	Very high	96.1	Very high	31 Å²	31	41.4 Å²	41.4	14%	0.136	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-55.8	-33.3	168.1	-81.4	-58.9	0	0	0	112.5	A283 W301 Q302 R306 F307 L347 N349	A283-F304 HydrophobicContact CB-CD2 4.49Å; A283-F304 HydrophobicContact CB-CE1 4.16Å; A283-F304 HydrophobicContact CB-CE2 3.89Å; A283-F304 HydrophobicContact CB-CZ 3.7Å; W301-F304 HydrophobicContact CD2-CD2 4.12Å; W301-F304 HydrophobicContact CD2-CE2 4.19Å; W301-F304 HydrophobicContact CE3-CD2 4.18Å; W301-F304 AromaticContact CE3-CE2 3.77Å; W301-F304 HydrophobicContact CE3-CE2 3.77Å; W301-F304 HydrophobicContact CH2-CE2 4.16Å; W301-F304 HydrophobicContact CZ3-CD2 4.47Å; W301-F304 AromaticContact CZ3-CE2 3.77Å; W301-F304 HydrophobicContact CZ3-CE2 3.77Å; W301-F304 WeakPolarHBondContact O-CB 3.39Å; W301-F304 WeakPolarHBondContact O-CD2 3.23Å; W301-F304 PolarHBondContact O-N 3.34Å; W301-F304 VanDerWaalsContact O-N 3.12Å; Q302-F304 PolarHBondContact O-N 3.09Å; F304-R306 PolarHBondContact O-N 3.47Å; F304-F307 HydrophobicContact CD1-CD2 4.01Å; F304-F307 HydrophobicContact CD1-CE1 4.13Å; F304-F307 AromaticContact CD1-CE2 3.55Å; F304-F307 HydrophobicContact CD1-CE2 3.55Å; F304-F307 AromaticContact CD1-CZ 3.59Å; F304-F307 HydrophobicContact CD1-CZ 3.59Å; F304-F307 AromaticContact CE1-CE2 3.73Å; F304-F307 HydrophobicContact CE1-CE2 3.73Å; F304-F307 AromaticContact CE1-CZ 3.8Å; F304-F307 HydrophobicContact CE1-CZ 3.8Å; F304-F307 WeakPolarHBondContact O-CB 3.31Å; F304-F307 PolarHBondContact O-N 2.8Å; F304-F307 VanDerWaalsContact O-N 3.09Å; F304-L347 HydrophobicContact CD1-CB 4.32Å; F304-L347 HydrophobicContact CD2-CD2 3.89Å; F304-L347 HydrophobicContact CE1-CB 3.74Å; F304-L347 HydrophobicContact CE2-CB 4.22Å; F304-L347 HydrophobicContact CE2-CD2 3.51Å; F304-L347 HydrophobicContact CE2-CG 4.46Å; F304-L347 HydrophobicContact CZ-CB 3.68Å; F304-L347 HydrophobicContact CZ-CD2 3.86Å; F304-L347 HydrophobicContact CZ-CG 4.39Å; F304-N349 HydrophobicContact CE1-CB 4.18Å
305	K	95.8	Very high	96.3	Very high	136 Å²	136	40.3 Å²	40.3	59%	0.591	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-72.2	-5.4	178.1	-59	179.6	-176.7	169.2	0	113	D182 Q302 L303	D182-K305 IonicContact OD1-NZ 3.57Å; D182-K305 WeakPolarHBondContact OD2-CE 3.34Å; D182-K305 IonicContact OD2-NZ 3.29Å; D182-K305 PolarHBondContact OD2-NZ 2.7Å; Q302-K305 WeakPolarHBondContact O-CB 3.26Å; Q302-K305 PolarHBondContact O-N 3.19Å; Q302-K305 VanDerWaalsContact OE1-CE 3.24Å; L303-K305 PolarHBondContact O-N 3.42Å
306	R	97.2	Very high	96.7	Very high	160 Å²	160	37 Å²	37	60%	0.604	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-99.9	-0.8	172.2	-58.9	174.6	61.2	-159.5	-7.1	113.1	L303 F304 F393	L303-R306 WeakPolarHBondContact O-CB 3.32Å; L303-R306 PolarHBondContact O-N 3.44Å; F304-R306 PolarHBondContact O-N 3.47Å; R306-F393 HydrophobicContact CB-CD2 4.5Å; R306-F393 HydrophobicContact CB-CE2 3.58Å; R306-F393 HydrophobicContact CB-CZ 3.77Å
307	F	97.8	Very high	96.8	Very high	22 Å²	22	37.7 Å²	37.7	10%	0.096	19%	0.188	C	C	.	.			trans	-73.3	133.8	177.8	-76.6	24.3	0	0	0	110.8	L303 F304 Q311 L347 F393	L303-F307 WeakPolarHBondContact O-CD1 3.32Å; F304-F307 HydrophobicContact CD1-CD2 4.01Å; F304-F307 HydrophobicContact CD1-CE1 4.13Å; F304-F307 AromaticContact CD1-CE2 3.55Å; F304-F307 HydrophobicContact CD1-CE2 3.55Å; F304-F307 AromaticContact CD1-CZ 3.59Å; F304-F307 HydrophobicContact CD1-CZ 3.59Å; F304-F307 AromaticContact CE1-CE2 3.73Å; F304-F307 HydrophobicContact CE1-CE2 3.73Å; F304-F307 AromaticContact CE1-CZ 3.8Å; F304-F307 HydrophobicContact CE1-CZ 3.8Å; F304-F307 WeakPolarHBondContact O-CB 3.31Å; F304-F307 PolarHBondContact O-N 2.8Å; F304-F307 VanDerWaalsContact O-N 3.09Å; F307-Q311 HydrophobicContact CB-CB 3.98Å; F307-Q311 HydrophobicContact CD2-CB 3.91Å; F307-Q311 WeakPolarHBondContact CD2-O 3.45Å; F307-Q311 HydrophobicContact CG-CB 3.97Å; F307-L347 HydrophobicContact CE1-CD1 4.44Å; F307-L347 HydrophobicContact CZ-CB 3.89Å; F307-F393 HydrophobicContact CD1-CB 3.73Å; F307-F393 HydrophobicContact CD1-CD1 4.14Å; F307-F393 HydrophobicContact CD1-CD2 4.09Å; F307-F393 AromaticContact CD1-CG 3.73Å; F307-F393 HydrophobicContact CD1-CG 3.73Å; F307-F393 HydrophobicContact CE1-CB 3.61Å; F307-F393 AromaticContact CE1-CD1 3.74Å; F307-F393 HydrophobicContact CE1-CD1 3.74Å; F307-F393 HydrophobicContact CE1-CD2 4.5Å; F307-F393 AromaticContact CE1-CG 3.71Å; F307-F393 HydrophobicContact CE1-CG 3.71Å; F307-F393 HydrophobicContact CG-CB 4.47Å; F307-F393 HydrophobicContact CZ-CB 4.25Å
308	T	97.6	Very high	96.9	Very high	75 Å²	75	38.3 Å²	38.3	46%	0.46	19%	0.191	S	C	.	.			trans	-62.2	167.9	163.7	73.4	0	0	0	0	110.5	K310 Q311 R352	T308-K310 PolarHBondContact O-N 3.24Å; T308-K310 PolarHBondContact OG1-N 3.31Å; T308-Q311 PolarHBondContact O-N 3.09Å; T308-Q311 WeakPolarHBondContact OG1-CG 3.31Å; T308-Q311 PolarHBondContact OG1-N 2.97Å; T308-R352 PolarHBondContact O-NH1 3.02Å
309	A	96.3	Very high	96.9	Very high	91 Å²	91	38.5 Å²	38.5	75%	0.752	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.1	176.6	0	0	0	0	0	114.2
310	K	96.7	Very high	96.9	Very high	119 Å²	119	40.1 Å²	40.1	52%	0.517	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-24.8	-178.3	-67.9	-173.6	173.9	-178.9	0	114.9	T308 D390	T308-K310 PolarHBondContact O-N 3.24Å; T308-K310 PolarHBondContact OG1-N 3.31Å; K310-D390 HydrophobicContact CD-CB 4.32Å; K310-D390 WeakPolarHBondContact CD-OD2 3.49Å; K310-D390 WeakPolarHBondContact CE-OD2 3.3Å; K310-D390 IonicContact NZ-OD2 2.75Å; K310-D390 PolarHBondContact NZ-OD2 3.17Å
311	Q	98.4	Very high	96.7	Very high	26 Å²	26	43.2 Å²	43.2	12%	0.121	21%	0.214	C	C	.	.			trans	-70.6	133	-172.4	-77.6	166.6	-30.6	0	0	111.2	F307 T308 R352 R391 V392 F393	F307-Q311 HydrophobicContact CB-CB 3.98Å; F307-Q311 HydrophobicContact CD2-CB 3.91Å; F307-Q311 WeakPolarHBondContact CD2-O 3.45Å; F307-Q311 HydrophobicContact CG-CB 3.97Å; T308-Q311 PolarHBondContact O-N 3.09Å; T308-Q311 WeakPolarHBondContact OG1-CG 3.31Å; T308-Q311 PolarHBondContact OG1-N 2.97Å; Q311-R352 WeakPolarHBondContact O-CD 3.35Å; Q311-R352 PolarHBondContact O-NH1 2.94Å; Q311-R391 WeakPolarHBondContact CA-O 3.23Å; Q311-V392 PolarHBondContact NE2-O 2.99Å; Q311-F393 HydrophobicContact CB-CB 4.5Å; Q311-F393 HydrophobicContact CG-CB 4.39Å
312	M	98	Very high	96.3	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.239	C	C	.	.			trans	-123.3	-25.6	179.5	90.2	-171.1	90	0	0	113.4	N349 R352 M353 F356 W358 F385 R391	M312-N349 PolarHBondContact O-N 3.3Å; M312-R352 HydrophobicContact CB-CB 3.74Å; M312-M353 HydrophobicContact CB-CG 4.05Å; M312-M353 HydrophobicContact CG-CG 3.63Å; M312-M353 HydrophobicContact SD-CB 4.19Å; M312-M353 HydrophobicContact SD-CG 3.57Å; M312-M353 VanDerWaalsContact SD-CG 3.57Å; M312-F356 HydrophobicContact CE-CB 4.13Å; M312-F356 HydrophobicContact CE-CD1 3.46Å; M312-F356 VanDerWaalsContact CE-CD1 3.46Å; M312-F356 HydrophobicContact CE-CD2 4.31Å; M312-F356 HydrophobicContact CE-CE1 3.91Å; M312-F356 HydrophobicContact CE-CG 3.69Å; M312-F356 HydrophobicContact SD-CB 4.16Å; M312-F356 HydrophobicContact SD-CD1 3.72Å; M312-F356 HydrophobicContact SD-CE1 4.49Å; M312-F356 HydrophobicContact SD-CG 4.15Å; M312-W358 HydrophobicContact SD-CE3 3.93Å; M312-W358 HydrophobicContact SD-CZ3 4.32Å; M312-F385 HydrophobicContact CE-CE1 4.33Å; M312-R391 HydrophobicContact CE-CB 3.65Å; M312-R391 VanDerWaalsContact CE-CD 3.48Å; M312-R391 HydrophobicContact CE-CG 4.04Å; M312-R391 PolarHBondContact N-O 3.07Å
313	I	98.4	Very high	95.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.5	173.3	-65.5	-60.3	0	0	0	109.3	V315 M346 L347 M348 M353 W358 F385 R391 V392 F393	I313-V315 HydrophobicContact CG2-CB 4.01Å; I313-V315 HydrophobicContact CG2-CG1 4.2Å; I313-M346 HydrophobicContact CG2-SD 4.44Å; I313-L347 CarbonylContact C-O 3.6Å; I313-L347 VanDerWaalsContact CA-O 3.3Å; I313-L347 WeakPolarHBondContact CA-O 3.45Å; I313-M348 HydrophobicContact CD1-CB 4.13Å; I313-M348 HydrophobicContact CD1-CG 3.79Å; I313-M353 HydrophobicContact CD1-CE 3.87Å; I313-M353 HydrophobicContact CD1-SD 3.75Å; I313-W358 HydrophobicContact CG1-CH2 4.43Å; I313-W358 HydrophobicContact CG1-CZ3 4.4Å; I313-F385 HydrophobicContact CB-CE2 3.86Å; I313-F385 HydrophobicContact CB-CZ 3.8Å; I313-F385 HydrophobicContact CG1-CE2 3.79Å; I313-F385 HydrophobicContact CG1-CZ 3.55Å; I313-F385 HydrophobicContact CG2-CE2 4.15Å; I313-R391 PolarHBondContact N-O 3.09Å; I313-V392 CarbonylContact O-C 3.59Å; I313-V392 WeakPolarHBondContact O-CA 3.34Å; I313-F393 PolarHBondContact O-N 3.13Å
314	G	98.6	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.1	163	0	0	0	0	0	109.9	M346 L347 F393 F395	G314-M346 CarbonylContact O-C 3.59Å; G314-M346 WeakPolarHBondContact O-CA 3.49Å; G314-L347 PolarHBondContact N-O 3.35Å; G314-L347 PolarHBondContact O-N 3.46Å; G314-F393 CarbonylContact C-O 3.51Å; G314-F393 WeakPolarHBondContact CA-O 3.48Å; G314-F395 WeakPolarHBondContact O-CE1 3.41Å
315	V	98.4	Very high	95.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	162.7	-170	69.1	0	0	0	0	111.4	I313 V341 N342 T343 M346 V392 F393 L394 F395	I313-V315 HydrophobicContact CG2-CB 4.01Å; I313-V315 HydrophobicContact CG2-CG1 4.2Å; V315-V341 HydrophobicContact CG1-CB 3.74Å; V315-V341 HydrophobicContact CG1-CG1 3.6Å; V315-V341 HydrophobicContact CG1-CG2 4.12Å; V315-V341 HydrophobicContact CG2-CB 4Å; V315-V341 HydrophobicContact CG2-CG2 4.42Å; V315-N342 WeakPolarHBondContact CG2-O 3.02Å; V315-T343 HydrophobicContact CG2-CG2 4.45Å; V315-M346 HydrophobicContact CG2-CG 4.05Å; V315-V392 HydrophobicContact CG1-CG1 3.7Å; V315-F393 PolarHBondContact N-O 3.03Å; V315-L394 HydrophobicContact CG1-CD2 4.02Å; V315-L394 WeakPolarHBondContact O-CA 3.32Å; V315-F395 PolarHBondContact O-N 2.85Å
316	A	97.8	Very high	95.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	156.3	172.7	0	0	0	0	0	112.4	V341 N342 F395 N400	A316-V341 CarbonylContact O-C 3.58Å; A316-V341 VanDerWaalsContact O-CA 3.23Å; A316-V341 WeakPolarHBondContact O-CA 3.39Å; A316-V341 VanDerWaalsContact O-CB 3.25Å; A316-V341 WeakPolarHBondContact O-CB 3.37Å; A316-N342 PolarHBondContact O-N 3.17Å; A316-F395 HydrophobicContact CB-CD2 3.86Å; A316-F395 HydrophobicContact CB-CE2 3.66Å; A316-F395 VanDerWaalsContact N-CE2 3.29Å; A316-N400 HydrophobicContact CB-CB 3.58Å
317	P	96.7	Very high	95.1	Very high	26 Å²	26	37.6 Å²	37.6	17%	0.169	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	156.2	161.5	-23.1	33.9	0	0	0	112.7	S319 G340 F395	P317-S319 WeakPolarHBondContact CB-O 3.18Å; P317-G340 WeakPolarHBondContact CA-O 3.28Å; P317-F395 WeakPolarHBondContact CD-O 3.5Å
318	E	96.4	Very high	95	Very high	13 Å²	13	38.6 Å²	38.6	6%	0.061	22%	0.217	C	C	.	.	S	Bend	trans	-73.2	-30	171.9	174	65.1	-155	0	0	112.2	Y327 G340 N342 Q378 R402	E318-Y327 HydrophobicContact CB-CD2 3.84Å; E318-Y327 HydrophobicContact CB-CE2 3.87Å; E318-Y327 HydrophobicContact CG-CD2 3.72Å; E318-Y327 HydrophobicContact CG-CE2 3.7Å; E318-G340 PolarHBondContact N-O 2.64Å; E318-N342 WeakPolarHBondContact OE2-CB 3.03Å; E318-N342 PolarHBondContact OE2-ND2 3.24Å; E318-N342 VanDerWaalsContact OE2-ND2 3.08Å; E318-Q378 PolarHBondContact OE2-NE2 3.3Å; E318-R402 IonicContact OE1-CZ 3.01Å; E318-R402 IonicContact OE1-NH1 2.77Å; E318-R402 PolarHBondContact OE1-NH1 3.21Å; E318-R402 IonicContact OE1-NH2 2.79Å; E318-R402 PolarHBondContact OE1-NH2 3.44Å; E318-R402 IonicContact OE2-NH1 3.71Å; E318-R402 PolarHBondContact OE2-NH1 2.79Å
319	S	93.7	Very high	94.9	Very high	7 Å²	7	40.5 Å²	40.5	5%	0.049	22%	0.219	C	C	.	.			trans	-160	170.1	166.9	67.6	0	0	0	0	110.9	P317 E321 N325 Y339	P317-S319 WeakPolarHBondContact CB-O 3.18Å; S319-E321 PolarHBondContact OG-O 3.12Å; S319-N325 WeakPolarHBondContact OG-CA 3.4Å; S319-N325 WeakPolarHBondContact OG-CB 3.48Å; S319-N325 PolarHBondContact OG-ND2 3.34Å; S319-Y339 WeakPolarHBondContact O-CD2 3.43Å
320	E	93.5	Very high	94.9	Very high	62 Å²	62	41.9 Å²	41.9	29%	0.29	21%	0.208	S	C	.	.	S	Bend	trans	-89.4	-13.6	-176	-63.9	-73.6	106.2	0	0	114.2	Y339 C397 L411	E320-Y339 VanDerWaalsContact C-CE2 3.46Å; E320-Y339 WeakPolarHBondContact O-CE2 3.26Å; E320-C397 HydrophobicContact CG-CB 4.18Å; E320-L411 HydrophobicContact CB-CB 4.25Å
321	E	91.8	Very high	94.9	Very high	66 Å²	66	37.3 Å²	37.3	31%	0.308	19%	0.192	S	C	.	.			trans	-141	154.9	-176.1	60.5	157.1	-158.4	0	0	113.9	S319 G323 T324 N325 L411	S319-E321 PolarHBondContact OG-O 3.12Å; E321-G323 VanDerWaalsContact C-N 3.31Å; E321-G323 PolarHBondContact O-N 2.62Å; E321-T324 VanDerWaalsContact CG-OG1 3.25Å; E321-T324 WeakPolarHBondContact CG-OG1 3.46Å; E321-T324 VanDerWaalsContact OE1-CG2 3.3Å; E321-T324 WeakPolarHBondContact OE1-CG2 3.43Å; E321-T324 PolarHBondContact OE1-N 3.23Å; E321-T324 PolarHBondContact OE1-OG1 2.81Å; E321-N325 VanDerWaalsContact O-CB 3.24Å; E321-N325 WeakPolarHBondContact O-CB 3.24Å; E321-N325 PolarHBondContact O-N 3.39Å; E321-L411 HydrophobicContact CG-CD1 3.93Å; E321-L411 HydrophobicContact CG-CD2 3.95Å
322	K	90.6	Very high	94.8	Very high	145 Å²	145	42.3 Å²	42.3	63%	0.63	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-30.3	174.6	-165.3	-173.6	176.4	-169.8	0	113.2	T324 N325 T328 Y339	K322-T324 VanDerWaalsContact C-N 3.28Å; K322-T324 PolarHBondContact O-N 2.85Å; K322-N325 PolarHBondContact O-N 2.88Å; K322-T328 HydrophobicContact CG-CG2 4.28Å; K322-Y339 HydrophobicContact CB-CE1 4.02Å; K322-Y339 PolarHBondContact N-OH 2.98Å
323	G	86.6	Confident	94.8	Very high	46 Å²	46	42.7 Å²	42.7	47%	0.474	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.4	-173.6	0	0	0	0	0	113.8	E321 K329	E321-G323 VanDerWaalsContact C-N 3.31Å; E321-G323 PolarHBondContact O-N 2.62Å; G323-K329 WeakPolarHBondContact O-CE 3.31Å; G323-K329 PolarHBondContact O-NZ 3.18Å
324	T	84.7	Confident	94.7	Very high	44 Å²	44	44.7 Å²	44.7	27%	0.27	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-11.5	179.6	41.7	0	0	0	0	114.1	E321 K322 W326 Y408	E321-T324 VanDerWaalsContact CG-OG1 3.25Å; E321-T324 WeakPolarHBondContact CG-OG1 3.46Å; E321-T324 VanDerWaalsContact OE1-CG2 3.3Å; E321-T324 WeakPolarHBondContact OE1-CG2 3.43Å; E321-T324 PolarHBondContact OE1-N 3.23Å; E321-T324 PolarHBondContact OE1-OG1 2.81Å; K322-T324 VanDerWaalsContact C-N 3.28Å; K322-T324 PolarHBondContact O-N 2.85Å; T324-W326 PolarHBondContact O-N 3.38Å; T324-Y408 HydrophobicContact CG2-CD2 3.91Å; T324-Y408 HydrophobicContact CG2-CE2 3.94Å
325	N	94.2	Very high	94.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.234	C	C	.	.			trans	-70.3	119.3	-171.5	-173.6	-105.2	0	0	0	115.3	S319 E321 K322 Y327 T328 K329 Y339	S319-N325 WeakPolarHBondContact OG-CA 3.4Å; S319-N325 WeakPolarHBondContact OG-CB 3.48Å; S319-N325 PolarHBondContact OG-ND2 3.34Å; E321-N325 VanDerWaalsContact O-CB 3.24Å; E321-N325 WeakPolarHBondContact O-CB 3.24Å; E321-N325 PolarHBondContact O-N 3.39Å; K322-N325 PolarHBondContact O-N 2.88Å; N325-Y327 PolarHBondContact O-N 3.45Å; N325-Y327 WeakPolarHBondContact OD1-CB 3.35Å; N325-Y327 PolarHBondContact OD1-N 3.19Å; N325-Y327 VanDerWaalsContact OD1-N 3.17Å; N325-T328 HydrophobicContact CB-CG2 4.44Å; N325-T328 PolarHBondContact O-N 3.3Å; N325-T328 PolarHBondContact O-OG1 2.8Å; N325-T328 VanDerWaalsContact O-OG1 3.14Å; N325-T328 WeakPolarHBondContact OD1-CG2 3.21Å; N325-T328 PolarHBondContact OD1-N 2.64Å; N325-K329 PolarHBondContact O-N 3.05Å; N325-Y339 HydrophobicContact CB-CD1 4.26Å; N325-Y339 PolarHBondContact ND2-O 2.81Å; N325-Y339 PolarHBondContact OD1-O 3.18Å
326	W	94.4	Very high	94.7	Very high	41 Å²	41	45.6 Å²	45.6	16%	0.155	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-48.7	177.1	-173.7	94.4	0	0	0	112.9	T324 T328 K329 F330 A331 T374 W375	T324-W326 PolarHBondContact O-N 3.38Å; W326-T328 VanDerWaalsContact C-N 3.33Å; W326-T328 PolarHBondContact O-N 3.48Å; W326-K329 PolarHBondContact O-N 2.86Å; W326-F330 AromaticContact CD1-CD2 3.5Å; W326-F330 VanDerWaalsContact CD1-CD2 3.5Å; W326-F330 HydrophobicContact CD2-CB 4.31Å; W326-F330 HydrophobicContact CD2-CD2 4.49Å; W326-F330 AromaticContact CG-CD2 3.95Å; W326-F330 HydrophobicContact CG-CD2 3.95Å; W326-F330 HydrophobicContact CZ2-CB 4.14Å; W326-F330 AromaticContact NE1-CD2 3.74Å; W326-F330 PolarHBondContact O-N 3.1Å; W326-A331 HydrophobicContact CE3-CB 4.3Å; W326-A331 HydrophobicContact CH2-CB 4.31Å; W326-A331 HydrophobicContact CZ3-CB 3.71Å; W326-T374 HydrophobicContact CH2-CG2 4.35Å; W326-T374 HydrophobicContact CZ2-CG2 3.85Å; W326-W375 HydrophobicContact CD2-CZ2 4.41Å; W326-W375 AromaticContact CD2-NE1 3.24Å; W326-W375 AromaticContact CE2-CE2 3.95Å; W326-W375 AromaticContact CE2-NE1 3.29Å; W326-W375 VanDerWaalsContact CE2-NE1 3.29Å; W326-W375 AromaticContact CE3-CD1 3.8Å; W326-W375 AromaticContact CE3-NE1 3.28Å; W326-W375 VanDerWaalsContact CE3-NE1 3.28Å; W326-W375 HydrophobicContact CG-CZ2 4.45Å; W326-W375 AromaticContact CG-NE1 3.96Å; W326-W375 AromaticContact CH2-CD1 3.85Å; W326-W375 AromaticContact CH2-NE1 3.53Å; W326-W375 AromaticContact CZ2-NE1 3.47Å; W326-W375 AromaticContact CZ3-CD1 3.61Å; W326-W375 AromaticContact CZ3-NE1 3.43Å; W326-W375 AromaticContact NE1-CZ2 3.78Å; W326-W375 AromaticContact NE1-NE1 3.91Å
327	Y	97	Very high	94.6	Very high	3 Å²	3	50.8 Å²	50.8	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-39.8	-177	-73.5	-71.1	0	0	0	112.8	E318 N325 K329 A331 H333 F335 Y339 Q378 D379 N382	E318-Y327 HydrophobicContact CB-CD2 3.84Å; E318-Y327 HydrophobicContact CB-CE2 3.87Å; E318-Y327 HydrophobicContact CG-CD2 3.72Å; E318-Y327 HydrophobicContact CG-CE2 3.7Å; N325-Y327 PolarHBondContact O-N 3.45Å; N325-Y327 WeakPolarHBondContact OD1-CB 3.35Å; N325-Y327 PolarHBondContact OD1-N 3.19Å; N325-Y327 VanDerWaalsContact OD1-N 3.17Å; Y327-K329 VanDerWaalsContact C-N 3.27Å; Y327-K329 PolarHBondContact O-N 3.08Å; Y327-A331 HydrophobicContact CD1-CB 3.69Å; Y327-A331 WeakPolarHBondContact O-CB 3.35Å; Y327-H333 AromaticContact CE1-CE1 3.63Å; Y327-H333 AromaticContact CE1-NE2 3.83Å; Y327-F335 VanDerWaalsContact C-CZ 3.42Å; Y327-F335 HydrophobicContact CD1-CB 3.86Å; Y327-F335 HydrophobicContact CD1-CD1 4.15Å; Y327-F335 AromaticContact CD1-CG 3.99Å; Y327-F335 HydrophobicContact CD1-CG 3.99Å; Y327-F335 HydrophobicContact CE1-CB 4.46Å; Y327-F335 HydrophobicContact CG-CB 4.3Å; Y327-F335 HydrophobicContact CG-CD1 4.45Å; Y327-F335 HydrophobicContact CG-CD2 4.24Å; Y327-F335 HydrophobicContact CG-CG 4.13Å; Y327-F335 WeakPolarHBondContact O-CE1 3.37Å; Y327-F335 VanDerWaalsContact O-CZ 3.24Å; Y327-F335 WeakPolarHBondContact O-CZ 3.32Å; Y327-Y339 WeakPolarHBondContact CD2-O 3.45Å; Y327-Q378 WeakPolarHBondContact OH-CG 3.03Å; Y327-Q378 PolarHBondContact OH-NE2 2.9Å; Y327-D379 WeakPolarHBondContact CE1-OD1 3.25Å; Y327-D379 VanDerWaalsContact CZ-OD1 3.31Å; Y327-D379 PolarHBondContact OH-OD1 3.09Å; Y327-N382 HydrophobicContact CE1-CB 4.4Å; Y327-N382 PolarHBondContact OH-ND2 3Å
328	T	95.8	Very high	94.6	Very high	43 Å²	43	53.3 Å²	53.3	26%	0.264	28%	0.275	S	S	.	.	H	α-helix	trans	-74	-13.2	177.7	63.9	0	0	0	0	115.1	K322 N325 W326 F335 P338 Y339	K322-T328 HydrophobicContact CG-CG2 4.28Å; N325-T328 HydrophobicContact CB-CG2 4.44Å; N325-T328 PolarHBondContact O-N 3.3Å; N325-T328 PolarHBondContact O-OG1 2.8Å; N325-T328 VanDerWaalsContact O-OG1 3.14Å; N325-T328 WeakPolarHBondContact OD1-CG2 3.21Å; N325-T328 PolarHBondContact OD1-N 2.64Å; W326-T328 VanDerWaalsContact C-N 3.33Å; W326-T328 PolarHBondContact O-N 3.48Å; T328-F335 HydrophobicContact CG2-CE2 4.32Å; T328-F335 HydrophobicContact CG2-CZ 4.12Å; T328-P338 WeakPolarHBondContact CG2-O 3.38Å; T328-Y339 HydrophobicContact CG2-CD1 4.08Å
329	K	95.2	Very high	94.5	Very high	115 Å²	115	55.6 Å²	55.6	50%	0.5	28%	0.284	S	S	.	.	H	α-helix	trans	-102.2	-42.7	179.9	-69.9	-179.2	-178.3	-179.3	0	113.4	G323 N325 W326 Y327	G323-K329 WeakPolarHBondContact O-CE 3.31Å; G323-K329 PolarHBondContact O-NZ 3.18Å; N325-K329 PolarHBondContact O-N 3.05Å; W326-K329 PolarHBondContact O-N 2.86Å; Y327-K329 VanDerWaalsContact C-N 3.27Å; Y327-K329 PolarHBondContact O-N 3.08Å
330	F	95.9	Very high	94.7	Very high	120 Å²	120	55.4 Å²	55.4	53%	0.526	28%	0.283	S	S	.	.	H	α-helix	trans	-127.4	-16.9	-160.2	-53.1	-61.7	0	0	0	115.1	W326 M332	W326-F330 AromaticContact CD1-CD2 3.5Å; W326-F330 VanDerWaalsContact CD1-CD2 3.5Å; W326-F330 HydrophobicContact CD2-CB 4.31Å; W326-F330 HydrophobicContact CD2-CD2 4.49Å; W326-F330 AromaticContact CG-CD2 3.95Å; W326-F330 HydrophobicContact CG-CD2 3.95Å; W326-F330 HydrophobicContact CZ2-CB 4.14Å; W326-F330 AromaticContact NE1-CD2 3.74Å; W326-F330 PolarHBondContact O-N 3.1Å; F330-M332 PolarHBondContact O-N 2.9Å; F330-M332 VanDerWaalsContact O-N 3.15Å
331	A	96.5	Very high	94.9	Very high	22 Å²	22	52.5 Å²	52.5	18%	0.182	27%	0.269	C	S	.	.			trans	-70.7	113.3	-173.2	0	0	0	0	0	112.8	W326 Y327 H333 F335	W326-A331 HydrophobicContact CE3-CB 4.3Å; W326-A331 HydrophobicContact CH2-CB 4.31Å; W326-A331 HydrophobicContact CZ3-CB 3.71Å; Y327-A331 HydrophobicContact CD1-CB 3.69Å; Y327-A331 WeakPolarHBondContact O-CB 3.35Å; A331-H333 PolarHBondContact O-N 3.38Å; A331-F335 HydrophobicContact CB-CD1 3.96Å; A331-F335 HydrophobicContact CB-CE1 4.1Å
332	M	96.4	Very high	95.2	Very high	131 Å²	131	49.8 Å²	49.8	65%	0.645	26%	0.257	S	S	*	.	S	Bend	trans	-82.8	21.1	175.3	-59.1	-171.5	-67.1	0	0	113	F330 N372	F330-M332 PolarHBondContact O-N 2.9Å; F330-M332 VanDerWaalsContact O-N 3.15Å; M332-N372 HydrophobicContact CB-CB 4.03Å; M332-N372 PolarHBondContact O-ND2 2.92Å
333	H	97.4	Very high	95.5	Very high	10 Å²	10	43 Å²	43	5%	0.046	23%	0.227	C	C	.	.	S	Bend	trans	-142.4	162	-176.7	65.3	85.5	0	0	0	111.1	Y327 A331 Y369 N372 D379 I383	Y327-H333 AromaticContact CE1-CE1 3.63Å; Y327-H333 AromaticContact CE1-NE2 3.83Å; A331-H333 PolarHBondContact O-N 3.38Å; H333-Y369 HydrophobicContact CB-CD1 3.88Å; H333-Y369 HydrophobicContact CB-CE1 4.26Å; H333-Y369 HydrophobicContact CB-CG 4.45Å; H333-N372 HydrophobicContact CB-CB 4.48Å; H333-N372 PolarHBondContact CD2-O 3.28Å; H333-D379 IonicContact CE1-OD1 3.38Å; H333-D379 IonicContact NE2-OD1 2.63Å; H333-D379 IonicContact NE2-OD2 3.9Å; H333-I383 HydrophobicContact CB-CD1 4.05Å; H333-I383 HydrophobicContact CB-CG1 4.07Å; H333-I383 VanDerWaalsContact ND1-CG1 3.27Å; H333-I383 WeakPolarHBondContact ND1-CG1 3.35Å
334	P	97.7	Very high	96	Very high	43 Å²	43	40.8 Å²	40.8	28%	0.279	21%	0.205	S	C	.	.			trans	-61	146.3	173.4	-23.6	35.2	0	0	0	112.5	Y369 I383 S386	P334-Y369 HydrophobicContact CG-CE1 4.37Å; P334-Y369 WeakPolarHBondContact CG-OH 3.35Å; P334-I383 VanDerWaalsContact O-CA 3.31Å; P334-I383 WeakPolarHBondContact O-CA 3.42Å; P334-I383 WeakPolarHBondContact O-CG1 3.36Å; P334-S386 WeakPolarHBondContact CB-OG 3.11Å
335	F	98.1	Very high	96.6	Very high	9 Å²	9	38.7 Å²	38.7	4%	0.039	19%	0.192	C	C	.	.			trans	-148.3	163.2	176.4	62.3	-96	0	0	0	111.9	Y327 T328 A331 K337 P338 N382 S386	Y327-F335 VanDerWaalsContact C-CZ 3.42Å; Y327-F335 HydrophobicContact CD1-CB 3.86Å; Y327-F335 HydrophobicContact CD1-CD1 4.15Å; Y327-F335 AromaticContact CD1-CG 3.99Å; Y327-F335 HydrophobicContact CD1-CG 3.99Å; Y327-F335 HydrophobicContact CE1-CB 4.46Å; Y327-F335 HydrophobicContact CG-CB 4.3Å; Y327-F335 HydrophobicContact CG-CD1 4.45Å; Y327-F335 HydrophobicContact CG-CD2 4.24Å; Y327-F335 HydrophobicContact CG-CG 4.13Å; Y327-F335 WeakPolarHBondContact O-CE1 3.37Å; Y327-F335 VanDerWaalsContact O-CZ 3.24Å; Y327-F335 WeakPolarHBondContact O-CZ 3.32Å; T328-F335 HydrophobicContact CG2-CE2 4.32Å; T328-F335 HydrophobicContact CG2-CZ 4.12Å; A331-F335 HydrophobicContact CB-CD1 3.96Å; A331-F335 HydrophobicContact CB-CE1 4.1Å; F335-K337 HydrophobicContact CD2-CD 3.96Å; F335-K337 HydrophobicContact CE2-CD 3.6Å; F335-K337 HydrophobicContact CZ-CD 4Å; F335-K337 PolarHBondContact O-N 3.41Å; F335-P338 WeakPolarHBondContact CE2-O 3.49Å; F335-N382 WeakPolarHBondContact CA-O 3.47Å; F335-N382 HydrophobicContact CB-CB 4.03Å; F335-S386 WeakPolarHBondContact O-CB 3.45Å
336	L	97.7	Very high	96.9	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.047	19%	0.192	C	C	.	.	S	Bend	trans	-69.4	99.7	179.9	179.8	54	0	0	0	111.1	G340 V341 N382 F385 K389 V392 L394	L336-G340 VanDerWaalsContact O-CA 3.26Å; L336-G340 WeakPolarHBondContact O-CA 3.28Å; L336-G340 PolarHBondContact O-N 3.24Å; L336-V341 HydrophobicContact CD2-CG1 3.79Å; L336-V341 HydrophobicContact CG-CG1 4.49Å; L336-N382 PolarHBondContact N-O 3.27Å; L336-F385 HydrophobicContact CB-CB 4.44Å; L336-F385 HydrophobicContact CD2-CB 4.37Å; L336-K389 HydrophobicContact CD1-CB 4.01Å; L336-K389 HydrophobicContact CD1-CD 3.94Å; L336-K389 HydrophobicContact CD1-CG 3.62Å; L336-V392 HydrophobicContact CD2-CB 4.1Å; L336-V392 HydrophobicContact CD2-CG1 3.93Å; L336-V392 HydrophobicContact CD2-CG2 4.06Å; L336-L394 HydrophobicContact CD2-CD2 4.16Å
337	K	96.5	Very high	97.1	Very high	111 Å²	111	36.8 Å²	36.8	48%	0.483	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	142.9	178	-56.4	-54.9	-176.7	-175.5	0	111.4	F335	F335-K337 HydrophobicContact CD2-CD 3.96Å; F335-K337 HydrophobicContact CE2-CD 3.6Å; F335-K337 HydrophobicContact CZ-CD 4Å; F335-K337 PolarHBondContact O-N 3.41Å
338	P	95.7	Very high	97.1	Very high	78 Å²	78	36.8 Å²	36.8	51%	0.506	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.6	-30.8	12	30.9	-35	0	0	0	115.7	T328 F335	T328-P338 WeakPolarHBondContact CG2-O 3.38Å; F335-P338 WeakPolarHBondContact CE2-O 3.49Å
339	Y	96.1	Very high	97.3	Very high	62 Å²	62	36.1 Å²	36.1	24%	0.243	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	1.3	-161.2	-59.6	-40.8	0	0	0	115.4	S319 E320 K322 N325 Y327 T328	S319-Y339 WeakPolarHBondContact O-CD2 3.43Å; E320-Y339 VanDerWaalsContact C-CE2 3.46Å; E320-Y339 WeakPolarHBondContact O-CE2 3.26Å; K322-Y339 HydrophobicContact CB-CE1 4.02Å; K322-Y339 PolarHBondContact N-OH 2.98Å; N325-Y339 HydrophobicContact CB-CD1 4.26Å; N325-Y339 PolarHBondContact ND2-O 2.81Å; N325-Y339 PolarHBondContact OD1-O 3.18Å; Y327-Y339 WeakPolarHBondContact CD2-O 3.45Å; T328-Y339 HydrophobicContact CG2-CD1 4.08Å
340	G	97.4	Very high	97.4	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.031	16%	0.156	C	C	.	.			trans	71.1	-178.6	-166.2	0	0	0	0	0	112.2	P317 E318 L336 N382	P317-G340 WeakPolarHBondContact CA-O 3.28Å; E318-G340 PolarHBondContact N-O 2.64Å; L336-G340 VanDerWaalsContact O-CA 3.26Å; L336-G340 WeakPolarHBondContact O-CA 3.28Å; L336-G340 PolarHBondContact O-N 3.24Å; G340-N382 WeakPolarHBondContact CA-OD1 3.29Å
341	V	97.8	Very high	97.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.7	-176.5	-67.8	0	0	0	0	112.3	V315 A316 L336 Q378 I381 N382 L394	V315-V341 HydrophobicContact CG1-CB 3.74Å; V315-V341 HydrophobicContact CG1-CG1 3.6Å; V315-V341 HydrophobicContact CG1-CG2 4.12Å; V315-V341 HydrophobicContact CG2-CB 4Å; V315-V341 HydrophobicContact CG2-CG2 4.42Å; A316-V341 CarbonylContact O-C 3.58Å; A316-V341 VanDerWaalsContact O-CA 3.23Å; A316-V341 WeakPolarHBondContact O-CA 3.39Å; A316-V341 VanDerWaalsContact O-CB 3.25Å; A316-V341 WeakPolarHBondContact O-CB 3.37Å; L336-V341 HydrophobicContact CD2-CG1 3.79Å; L336-V341 HydrophobicContact CG-CG1 4.49Å; V341-Q378 PolarHBondContact O-NE2 3.11Å; V341-I381 HydrophobicContact CG2-CG2 4.47Å; V341-N382 PolarHBondContact N-OD1 3.05Å; V341-N382 PolarHBondContact O-ND2 2.82Å; V341-L394 HydrophobicContact CG1-CD2 3.59Å
342	N	97.6	Very high	97.6	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.048	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123	172.9	-174.6	-95.6	0	0	0	111.8	V315 A316 E318 G344 Q378 N400 R402 H424	V315-N342 WeakPolarHBondContact CG2-O 3.02Å; A316-N342 PolarHBondContact O-N 3.17Å; E318-N342 WeakPolarHBondContact OE2-CB 3.03Å; E318-N342 PolarHBondContact OE2-ND2 3.24Å; E318-N342 VanDerWaalsContact OE2-ND2 3.08Å; N342-G344 PolarHBondContact O-N 3.29Å; N342-G344 PolarHBondContact OD1-N 2.68Å; N342-G344 VanDerWaalsContact OD1-N 3.13Å; N342-Q378 VanDerWaalsContact CA-OE1 3.32Å; N342-Q378 PolarHBondContact ND2-OE1 2.72Å; N342-N400 PolarHBondContact O-ND2 3.4Å; N342-N400 PolarHBondContact OD1-ND2 2.8Å; N342-R402 PolarHBondContact ND2-NH1 3.47Å; N342-H424 PolarHBondContact OD1-CE1 2.69Å
343	T	96.7	Very high	97.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	15.8	-170.4	53.6	0	0	0	0	114.7	R271 V315 V345 M346 Q378 I381	R271-T343 PolarHBondContact NH1-O 3.07Å; V315-T343 HydrophobicContact CG2-CG2 4.45Å; T343-V345 VanDerWaalsContact C-N 3.3Å; T343-M346 HydrophobicContact CG2-CG 4.46Å; T343-M346 HydrophobicContact CG2-SD 3.69Å; T343-Q378 HydrophobicContact CG2-CB 4.47Å; T343-Q378 HydrophobicContact CG2-CG 3.96Å; T343-Q378 VanDerWaalsContact OG1-CB 3.27Å; T343-Q378 WeakPolarHBondContact OG1-CB 3.16Å; T343-Q378 WeakPolarHBondContact OG1-CG 3.37Å; T343-Q378 PolarHBondContact OG1-OE1 2.7Å; T343-I381 HydrophobicContact CG2-CB 4.12Å; T343-I381 HydrophobicContact CG2-CD1 3.69Å; T343-I381 HydrophobicContact CG2-CG2 3.81Å
344	G	96.9	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-14	175.2	0	0	0	0	0	115	V287 D288 N342	V287-G344 CarbonylContact C-O 3.55Å; V287-G344 WeakPolarHBondContact CA-O 3.38Å; D288-G344 PolarHBondContact N-O 3.32Å; D288-G344 WeakPolarHBondContact OD2-CA 3.48Å; N342-G344 PolarHBondContact O-N 3.29Å; N342-G344 PolarHBondContact OD1-N 2.68Å; N342-G344 VanDerWaalsContact OD1-N 3.13Å
345	V	98.5	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	118.7	167.2	-175.7	0	0	0	0	107.6	L285 V287 V291 I300 T343 F395 N400 I422	L285-V345 HydrophobicContact CD1-CG1 4.05Å; V287-V345 HydrophobicContact CG1-CG1 4.24Å; V287-V345 HydrophobicContact CG1-CG2 4.38Å; V291-V345 HydrophobicContact CG1-CG2 4.24Å; V291-V345 HydrophobicContact CG2-CG2 4.3Å; I300-V345 HydrophobicContact CD1-CG1 3.53Å; T343-V345 VanDerWaalsContact C-N 3.3Å; V345-F395 HydrophobicContact CB-CZ 4.28Å; V345-F395 HydrophobicContact CG1-CZ 3.93Å; V345-N400 HydrophobicContact CB-CB 4.29Å; V345-N400 HydrophobicContact CG2-CB 4.14Å; V345-I422 HydrophobicContact CG1-CD1 4.06Å; V345-I422 HydrophobicContact CG2-CG2 4.03Å
346	M	98.6	Very high	97.7	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	126.4	-177.4	-70	-167.3	-63.8	0	0	113.1	R271 L285 Y286 I313 G314 V315 T343 M348 I381	R271-M346 HydrophobicContact CB-CE 4.5Å; R271-M346 HydrophobicContact CG-CE 4.05Å; L285-M346 CarbonylContact C-O 3.56Å; Y286-M346 HydrophobicContact CD1-CE 3.82Å; Y286-M346 HydrophobicContact CE1-CE 4.44Å; Y286-M346 HydrophobicContact CG-CE 4.39Å; Y286-M346 PolarHBondContact N-O 3.02Å; Y286-M346 PolarHBondContact O-N 3.32Å; I313-M346 HydrophobicContact CG2-SD 4.44Å; G314-M346 CarbonylContact O-C 3.59Å; G314-M346 WeakPolarHBondContact O-CA 3.49Å; V315-M346 HydrophobicContact CG2-CG 4.05Å; T343-M346 HydrophobicContact CG2-CG 4.46Å; T343-M346 HydrophobicContact CG2-SD 3.69Å; M346-M348 HydrophobicContact CB-CG 4.08Å; M346-M348 HydrophobicContact CE-SD 4.37Å; M346-I381 HydrophobicContact CE-CD1 4.17Å; M346-I381 HydrophobicContact SD-CD1 3.96Å
347	L	98.8	Very high	97.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110	165.6	-69.8	164.3	0	0	0	108.8	L285 I300 L303 F304 F307 I313 G314 F395	L285-L347 HydrophobicContact CB-CD2 4.28Å; L285-L347 HydrophobicContact CD1-CD2 3.9Å; L285-L347 HydrophobicContact CD1-CG 4.24Å; I300-L347 HydrophobicContact CG1-CD1 3.98Å; I300-L347 HydrophobicContact CG1-CD2 4.19Å; I300-L347 HydrophobicContact CG1-CG 4.17Å; I300-L347 WeakPolarHBondContact O-CD1 3.25Å; L303-L347 HydrophobicContact CB-CD1 3.67Å; L303-L347 HydrophobicContact CD1-CD1 4.27Å; L303-L347 HydrophobicContact CG-CD1 4.49Å; F304-L347 HydrophobicContact CD1-CB 4.32Å; F304-L347 HydrophobicContact CD2-CD2 3.89Å; F304-L347 HydrophobicContact CE1-CB 3.74Å; F304-L347 HydrophobicContact CE2-CB 4.22Å; F304-L347 HydrophobicContact CE2-CD2 3.51Å; F304-L347 HydrophobicContact CE2-CG 4.46Å; F304-L347 HydrophobicContact CZ-CB 3.68Å; F304-L347 HydrophobicContact CZ-CD2 3.86Å; F304-L347 HydrophobicContact CZ-CG 4.39Å; F307-L347 HydrophobicContact CE1-CD1 4.44Å; F307-L347 HydrophobicContact CZ-CB 3.89Å; I313-L347 CarbonylContact C-O 3.6Å; I313-L347 VanDerWaalsContact CA-O 3.3Å; I313-L347 WeakPolarHBondContact CA-O 3.45Å; G314-L347 PolarHBondContact N-O 3.35Å; G314-L347 PolarHBondContact O-N 3.46Å; L347-F395 HydrophobicContact CD1-CD1 4.06Å; L347-F395 HydrophobicContact CD1-CE1 3.92Å; L347-F395 HydrophobicContact CG-CE1 4.23Å
348	M	98.8	Very high	97.6	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112.3	-175.1	-54.9	175.3	70.5	0	0	110.7	R271 I274 P275 A283 V284 Y286 I313 M346 L350 M353	R271-M348 WeakPolarHBondContact O-CE 3.44Å; I274-M348 HydrophobicContact CB-CE 4.32Å; I274-M348 HydrophobicContact CD1-SD 4.44Å; P275-M348 HydrophobicContact CG-CE 4.47Å; A283-M348 CarbonylContact C-O 3.42Å; A283-M348 WeakPolarHBondContact CA-O 3.38Å; V284-M348 HydrophobicContact CG2-CB 3.9Å; V284-M348 HydrophobicContact CG2-CG 4.37Å; V284-M348 HydrophobicContact CG2-SD 4.07Å; V284-M348 PolarHBondContact N-O 3.44Å; V284-M348 PolarHBondContact O-N 2.93Å; Y286-M348 VanDerWaalsContact CB-SD 3.54Å; Y286-M348 HydrophobicContact CG-SD 4.3Å; I313-M348 HydrophobicContact CD1-CB 4.13Å; I313-M348 HydrophobicContact CD1-CG 3.79Å; M346-M348 HydrophobicContact CB-CG 4.08Å; M346-M348 HydrophobicContact CE-SD 4.37Å; M348-L350 HydrophobicContact CB-CD2 3.81Å; M348-L350 HydrophobicContact CE-CD2 4.13Å; M348-L350 PolarHBondContact O-N 3.49Å; M348-M353 HydrophobicContact CB-SD 3.93Å; M348-M353 HydrophobicContact CE-CE 3.68Å; M348-M353 HydrophobicContact CE-SD 3.85Å
349	N	98.6	Very high	97.5	Very high	30 Å²	30	25 Å²	25	16%	0.16	14%	0.139	C	C	.	.			trans	-86	89.5	169.3	-171.5	-78.1	0	0	0	109.1	D282 F304 M312 T351 R352 M353	D282-N349 CarbonylContact O-C 3.55Å; F304-N349 HydrophobicContact CE1-CB 4.18Å; M312-N349 PolarHBondContact O-N 3.3Å; N349-T351 VanDerWaalsContact C-N 3.28Å; N349-T351 PolarHBondContact O-N 2.79Å; N349-R352 HydrophobicContact CB-CB 4.33Å; N349-R352 PolarHBondContact O-N 2.9Å; N349-R352 VanDerWaalsContact O-N 3.13Å; N349-R352 VanDerWaalsContact OD1-CB 3.27Å; N349-R352 WeakPolarHBondContact OD1-CB 3.43Å; N349-R352 WeakPolarHBondContact OD1-CD 3.33Å; N349-R352 WeakPolarHBondContact OD1-CG 3.39Å; N349-R352 PolarHBondContact OD1-N 3.01Å; N349-M353 WeakPolarHBondContact O-CG 3.11Å; N349-M353 PolarHBondContact O-N 3.31Å
350	L	98.7	Very high	97.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-35.1	-173.4	-54.5	-174.4	0	0	0	112.7	I274 P275 L278 V281 D282 V284 M348 M353 R354	I274-L350 HydrophobicContact CG2-CD1 4.03Å; I274-L350 HydrophobicContact CG2-CD2 4.05Å; P275-L350 HydrophobicContact CB-CD2 4.23Å; P275-L350 HydrophobicContact CG-CD2 3.91Å; L278-L350 HydrophobicContact CB-CD1 3.79Å; L278-L350 HydrophobicContact CD1-CD1 4.23Å; V281-L350 HydrophobicContact CB-CD1 4.37Å; V281-L350 HydrophobicContact CG1-CD1 4.46Å; D282-L350 PolarHBondContact O-N 3.13Å; V284-L350 HydrophobicContact CG1-CD1 3.91Å; V284-L350 HydrophobicContact CG2-CD1 4.2Å; V284-L350 HydrophobicContact CG2-CD2 4.07Å; V284-L350 HydrophobicContact CG2-CG 4.27Å; M348-L350 HydrophobicContact CB-CD2 3.81Å; M348-L350 HydrophobicContact CE-CD2 4.13Å; M348-L350 PolarHBondContact O-N 3.49Å; L350-M353 HydrophobicContact CD2-SD 4.02Å; L350-M353 PolarHBondContact O-N 2.77Å; L350-R354 WeakPolarHBondContact O-CB 3.42Å; L350-R354 WeakPolarHBondContact O-CG 3.44Å; L350-R354 PolarHBondContact O-N 3.48Å
351	T	98.4	Very high	97.4	Very high	54 Å²	54	29.5 Å²	29.5	33%	0.331	17%	0.168	S	C	.	.	H	α-helix	trans	-64.6	-40.3	176.1	-75.6	0	0	0	0	112	D282 N349 R354 A355	D282-T351 PolarHBondContact O-N 2.97Å; D282-T351 VanDerWaalsContact O-N 3.11Å; D282-T351 VanDerWaalsContact OD1-CB 3.3Å; D282-T351 WeakPolarHBondContact OD1-CB 3.35Å; D282-T351 PolarHBondContact OD1-OG1 3.25Å; N349-T351 VanDerWaalsContact C-N 3.28Å; N349-T351 PolarHBondContact O-N 2.79Å; T351-R354 PolarHBondContact OG1-NH2 3.13Å; T351-A355 WeakPolarHBondContact O-CB 3.39Å; T351-A355 PolarHBondContact O-N 3.42Å
352	R	98.1	Very high	97.3	Very high	82 Å²	82	29.5 Å²	29.5	31%	0.309	17%	0.168	S	C	.	.	H	α-helix	trans	-71.7	-31.3	171.9	-71.2	171.5	-172	-177.4	-2	113	T308 Q311 M312 N349 F356	T308-R352 PolarHBondContact O-NH1 3.02Å; Q311-R352 WeakPolarHBondContact O-CD 3.35Å; Q311-R352 PolarHBondContact O-NH1 2.94Å; M312-R352 HydrophobicContact CB-CB 3.74Å; N349-R352 HydrophobicContact CB-CB 4.33Å; N349-R352 PolarHBondContact O-N 2.9Å; N349-R352 VanDerWaalsContact O-N 3.13Å; N349-R352 VanDerWaalsContact OD1-CB 3.27Å; N349-R352 WeakPolarHBondContact OD1-CB 3.43Å; N349-R352 WeakPolarHBondContact OD1-CD 3.33Å; N349-R352 WeakPolarHBondContact OD1-CG 3.39Å; N349-R352 PolarHBondContact OD1-N 3.01Å; R352-F356 WeakPolarHBondContact O-CB 3.15Å; R352-F356 PolarHBondContact O-N 3.07Å
353	M	98.3	Very high	97	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-45	173.9	-67.2	174.7	80.5	0	0	111.7	P275 M312 I313 M348 N349 L350 F356 S357 W358	P275-M353 HydrophobicContact CB-CB 4.03Å; P275-M353 HydrophobicContact CG-CB 3.91Å; P275-M353 HydrophobicContact CG-CE 3.54Å; P275-M353 HydrophobicContact CG-CG 4.47Å; P275-M353 HydrophobicContact CG-SD 3.8Å; M312-M353 HydrophobicContact CB-CG 4.05Å; M312-M353 HydrophobicContact CG-CG 3.63Å; M312-M353 HydrophobicContact SD-CB 4.19Å; M312-M353 HydrophobicContact SD-CG 3.57Å; M312-M353 VanDerWaalsContact SD-CG 3.57Å; I313-M353 HydrophobicContact CD1-CE 3.87Å; I313-M353 HydrophobicContact CD1-SD 3.75Å; M348-M353 HydrophobicContact CB-SD 3.93Å; M348-M353 HydrophobicContact CE-CE 3.68Å; M348-M353 HydrophobicContact CE-SD 3.85Å; N349-M353 WeakPolarHBondContact O-CG 3.11Å; N349-M353 PolarHBondContact O-N 3.31Å; L350-M353 HydrophobicContact CD2-SD 4.02Å; L350-M353 PolarHBondContact O-N 2.77Å; M353-F356 CarbonylContact O-C 3.57Å; M353-F356 PolarHBondContact O-N 2.64Å; M353-S357 PolarHBondContact O-N 3.3Å; M353-W358 HydrophobicContact CB-CB 4.03Å; M353-W358 HydrophobicContact CB-CG 4.39Å; M353-W358 HydrophobicContact CE-CD2 3.34Å; M353-W358 HydrophobicContact CE-CE3 3.7Å; M353-W358 HydrophobicContact CE-CG 3.76Å; M353-W358 HydrophobicContact CE-CH2 4.02Å; M353-W358 HydrophobicContact CE-CZ2 3.68Å; M353-W358 HydrophobicContact CE-CZ3 4.02Å; M353-W358 VanDerWaalsContact O-CB 3.29Å; M353-W358 WeakPolarHBondContact O-CB 3.48Å; M353-W358 PolarHBondContact O-N 3.47Å
354	R	97.9	Very high	97	Very high	63 Å²	63	37 Å²	37	24%	0.238	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-47.4	172.5	-74.5	-176.4	-70.5	-97	3.1	111.9	P275 L278 T279 V281 L350 T351 F356 S357	P275-R354 HydrophobicContact CB-CG 4.27Å; P275-R354 WeakPolarHBondContact O-CD 3.3Å; P275-R354 PolarHBondContact O-NH1 2.57Å; L278-R354 PolarHBondContact O-NH1 2.86Å; T279-R354 VanDerWaalsContact O-CZ 3.3Å; T279-R354 PolarHBondContact O-NH2 3.22Å; V281-R354 PolarHBondContact O-NH2 3.22Å; L350-R354 WeakPolarHBondContact O-CB 3.42Å; L350-R354 WeakPolarHBondContact O-CG 3.44Å; L350-R354 PolarHBondContact O-N 3.48Å; T351-R354 PolarHBondContact OG1-NH2 3.13Å; R354-F356 PolarHBondContact O-N 3.45Å; R354-S357 PolarHBondContact O-N 3.1Å
355	A	97.4	Very high	97	Very high	91 Å²	91	38 Å²	38	75%	0.752	21%	0.211	S	C	*	.	H	α-helix	trans	-66.2	-16.4	176.7	0	0	0	0	0	114	T351	T351-A355 WeakPolarHBondContact O-CB 3.39Å; T351-A355 PolarHBondContact O-N 3.42Å
356	F	96.4	Very high	96.8	Very high	21 Å²	21	38.1 Å²	38.1	9%	0.092	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.1	171.5	176.4	-112.8	0	0	0	112.8	M312 R352 M353 R354 W358 H361 L384 K388 R391	M312-F356 HydrophobicContact CE-CB 4.13Å; M312-F356 HydrophobicContact CE-CD1 3.46Å; M312-F356 VanDerWaalsContact CE-CD1 3.46Å; M312-F356 HydrophobicContact CE-CD2 4.31Å; M312-F356 HydrophobicContact CE-CE1 3.91Å; M312-F356 HydrophobicContact CE-CG 3.69Å; M312-F356 HydrophobicContact SD-CB 4.16Å; M312-F356 HydrophobicContact SD-CD1 3.72Å; M312-F356 HydrophobicContact SD-CE1 4.49Å; M312-F356 HydrophobicContact SD-CG 4.15Å; R352-F356 WeakPolarHBondContact O-CB 3.15Å; R352-F356 PolarHBondContact O-N 3.07Å; M353-F356 CarbonylContact O-C 3.57Å; M353-F356 PolarHBondContact O-N 2.64Å; R354-F356 PolarHBondContact O-N 3.45Å; F356-W358 HydrophobicContact CD1-CB 4.43Å; F356-W358 HydrophobicContact CD1-CE3 4.34Å; F356-W358 HydrophobicContact CE1-CE3 4.43Å; F356-W358 PolarHBondContact O-N 3.17Å; F356-H361 AromaticContact CE1-CD2 3.4Å; F356-H361 VanDerWaalsContact CE1-CD2 3.4Å; F356-H361 WeakPolarHBondContact CE1-CD2 3.5Å; F356-H361 AromaticContact CE2-CD2 3.94Å; F356-H361 AromaticContact CE2-NE2 3.63Å; F356-H361 AromaticContact CZ-CD2 3.31Å; F356-H361 WeakPolarHBondContact CZ-CD2 3.15Å; F356-H361 AromaticContact CZ-NE2 3.44Å; F356-H361 WeakPolarHBondContact CZ-NE2 3.38Å; F356-L384 HydrophobicContact CE1-CD1 4.32Å; F356-L384 HydrophobicContact CE1-CD2 4.3Å; F356-L384 HydrophobicContact CZ-CD1 4.28Å; F356-K388 HydrophobicContact CE2-CD 4.13Å; F356-K388 HydrophobicContact CZ-CD 3.62Å; F356-R391 VanDerWaalsContact CD2-CZ 3.45Å; F356-R391 VanDerWaalsContact CD2-NH1 3.29Å
357	S	96.3	Very high	96.6	Very high	68 Å²	68	41.6 Å²	41.6	48%	0.476	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	35.6	-173.1	-56.4	0	0	0	0	113	M353 R354 T359 T360	M353-S357 PolarHBondContact O-N 3.3Å; R354-S357 PolarHBondContact O-N 3.1Å; S357-T359 VanDerWaalsContact C-N 3.29Å; S357-T359 PolarHBondContact O-N 2.96Å; S357-T360 PolarHBondContact O-N 3.42Å; S357-T360 PolarHBondContact O-OG1 3.13Å
358	W	96.2	Very high	96.5	Very high	4 Å²	4	48 Å²	48	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-32.4	-55.3	-172.7	169.5	-96.9	0	0	0	115.1	L272 M312 I313 M353 F356 T360 H361 L362 I381 L384 F385	L272-W358 HydrophobicContact CD2-CZ2 4.25Å; L272-W358 PolarHBondContact O-NE1 3.45Å; M312-W358 HydrophobicContact SD-CE3 3.93Å; M312-W358 HydrophobicContact SD-CZ3 4.32Å; I313-W358 HydrophobicContact CG1-CH2 4.43Å; I313-W358 HydrophobicContact CG1-CZ3 4.4Å; M353-W358 HydrophobicContact CB-CB 4.03Å; M353-W358 HydrophobicContact CB-CG 4.39Å; M353-W358 HydrophobicContact CE-CD2 3.34Å; M353-W358 HydrophobicContact CE-CE3 3.7Å; M353-W358 HydrophobicContact CE-CG 3.76Å; M353-W358 HydrophobicContact CE-CH2 4.02Å; M353-W358 HydrophobicContact CE-CZ2 3.68Å; M353-W358 HydrophobicContact CE-CZ3 4.02Å; M353-W358 VanDerWaalsContact O-CB 3.29Å; M353-W358 WeakPolarHBondContact O-CB 3.48Å; M353-W358 PolarHBondContact O-N 3.47Å; F356-W358 HydrophobicContact CD1-CB 4.43Å; F356-W358 HydrophobicContact CD1-CE3 4.34Å; F356-W358 HydrophobicContact CE1-CE3 4.43Å; F356-W358 PolarHBondContact O-N 3.17Å; W358-T360 VanDerWaalsContact C-N 3.31Å; W358-T360 PolarHBondContact O-N 2.94Å; W358-H361 WeakPolarHBondContact O-CB 3.27Å; W358-H361 PolarHBondContact O-N 3.48Å; W358-H361 VanDerWaalsContact O-N 3.09Å; W358-L362 HydrophobicContact CZ2-CD2 4.27Å; W358-I381 HydrophobicContact CH2-CG1 4.07Å; W358-I381 HydrophobicContact CZ2-CG1 4.16Å; W358-L384 HydrophobicContact CD2-CD2 4.5Å; W358-L384 HydrophobicContact CE3-CD2 3.74Å; W358-L384 HydrophobicContact CH2-CD2 3.89Å; W358-L384 HydrophobicContact CZ3-CD2 3.39Å; W358-F385 HydrophobicContact CH2-CE2 4.38Å; W358-F385 HydrophobicContact CH2-CZ 4.19Å; W358-F385 HydrophobicContact CZ3-CE1 4.33Å; W358-F385 HydrophobicContact CZ3-CE2 4.36Å; W358-F385 AromaticContact CZ3-CZ 3.72Å; W358-F385 HydrophobicContact CZ3-CZ 3.72Å
359	T	94.2	Very high	96.4	Very high	30 Å²	30	49.4 Å²	49.4	18%	0.184	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-31.6	-175.1	-55.6	0	0	0	0	113.5	F273 D276 S357 H361 L362	F273-T359 HydrophobicContact CD1-CG2 3.91Å; F273-T359 HydrophobicContact CE1-CG2 3.82Å; D276-T359 PolarHBondContact OD1-OG1 2.03Å; D276-T359 WeakPolarHBondContact OD2-CB 3.43Å; D276-T359 WeakPolarHBondContact OD2-CG2 3.09Å; D276-T359 PolarHBondContact OD2-OG1 3.08Å; S357-T359 VanDerWaalsContact C-N 3.29Å; S357-T359 PolarHBondContact O-N 2.96Å; T359-H361 PolarHBondContact O-N 2.99Å; T359-L362 PolarHBondContact O-N 3.37Å; T359-L362 VanDerWaalsContact O-N 3.13Å
360	T	95	Very high	96.1	Very high	96 Å²	96	51.8 Å²	51.8	59%	0.589	27%	0.271	S	S	*	.	H	α-helix	trans	-69.7	-19.7	177.9	73.7	0	0	0	0	112.7	S357 W358 P364	S357-T360 PolarHBondContact O-N 3.42Å; S357-T360 PolarHBondContact O-OG1 3.13Å; W358-T360 VanDerWaalsContact C-N 3.31Å; W358-T360 PolarHBondContact O-N 2.94Å; T360-P364 VanDerWaalsContact O-CD 3.26Å; T360-P364 WeakPolarHBondContact O-CD 3.34Å
361	H	95.7	Very high	95.9	Very high	65 Å²	65	61.1 Å²	61.1	30%	0.301	31%	0.307	S	S	.	.	H	α-helix	trans	-82.5	-20.6	172.6	-71.1	-58.3	0	0	0	113.7	F356 W358 T359 L365 L384	F356-H361 AromaticContact CE1-CD2 3.4Å; F356-H361 VanDerWaalsContact CE1-CD2 3.4Å; F356-H361 WeakPolarHBondContact CE1-CD2 3.5Å; F356-H361 AromaticContact CE2-CD2 3.94Å; F356-H361 AromaticContact CE2-NE2 3.63Å; F356-H361 AromaticContact CZ-CD2 3.31Å; F356-H361 WeakPolarHBondContact CZ-CD2 3.15Å; F356-H361 AromaticContact CZ-NE2 3.44Å; F356-H361 WeakPolarHBondContact CZ-NE2 3.38Å; W358-H361 WeakPolarHBondContact O-CB 3.27Å; W358-H361 PolarHBondContact O-N 3.48Å; W358-H361 VanDerWaalsContact O-N 3.09Å; T359-H361 PolarHBondContact O-N 2.99Å; H361-L365 VanDerWaalsContact O-CG 3.3Å; H361-L365 WeakPolarHBondContact O-CG 3.19Å; H361-L384 HydrophobicContact CB-CD1 3.97Å
362	L	95.5	Very high	95.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-73.9	-49.3	-172.9	-61.8	176.7	0	0	0	112.8	W260 L272 F273 W358 T359 L365 L366	W260-L362 HydrophobicContact CH2-CB 3.96Å; L272-L362 HydrophobicContact CB-CD1 3.78Å; L272-L362 HydrophobicContact CD1-CD1 4.25Å; L272-L362 HydrophobicContact CD2-CD1 4.5Å; L272-L362 HydrophobicContact CD2-CD2 4.41Å; L272-L362 HydrophobicContact CG-CD1 4.41Å; F273-L362 HydrophobicContact CE1-CD1 4.15Å; F273-L362 HydrophobicContact CZ-CD1 4.44Å; W358-L362 HydrophobicContact CZ2-CD2 4.27Å; T359-L362 PolarHBondContact O-N 3.37Å; T359-L362 VanDerWaalsContact O-N 3.13Å; L362-L365 PolarHBondContact O-N 2.83Å; L362-L365 VanDerWaalsContact O-N 3.13Å; L362-L366 PolarHBondContact O-N 3.36Å
363	Y	93.1	Very high	95.5	Very high	91 Å²	91	58.5 Å²	58.5	36%	0.357	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-43.5	-175.2	-177.7	-104.3	0	0	0	113.6	L259 W260 L365 L366 E367	L259-Y363 HydrophobicContact CD2-CE2 4.16Å; W260-Y363 HydrophobicContact CZ2-CD2 4.28Å; Y363-L365 VanDerWaalsContact C-N 3.26Å; Y363-L365 PolarHBondContact O-N 2.82Å; Y363-L366 PolarHBondContact O-N 3.08Å; Y363-E367 HydrophobicContact CD1-CG 4.46Å; Y363-E367 HydrophobicContact CE1-CG 3.84Å; Y363-E367 HydrophobicContact CE2-CG 3.89Å; Y363-E367 PolarHBondContact O-N 3.2Å
364	P	95.4	Very high	95.2	Very high	77 Å²	77	62 Å²	62	50%	0.5	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-28.9	173.6	-23.9	35.4	0	0	0	114.2	T360 K368	T360-P364 VanDerWaalsContact O-CD 3.26Å; T360-P364 WeakPolarHBondContact O-CD 3.34Å; P364-K368 VanDerWaalsContact O-CB 3.25Å; P364-K368 WeakPolarHBondContact O-CB 3.37Å; P364-K368 PolarHBondContact O-N 3.31Å
365	L	96.4	Very high	95	Very high	21 Å²	21	62.1 Å²	62.1	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-76.2	-39.6	174.5	-66.7	179.8	0	0	0	111.5	H361 L362 Y363 K368 Y369 L380 I383 L384	H361-L365 VanDerWaalsContact O-CG 3.3Å; H361-L365 WeakPolarHBondContact O-CG 3.19Å; L362-L365 PolarHBondContact O-N 2.83Å; L362-L365 VanDerWaalsContact O-N 3.13Å; Y363-L365 VanDerWaalsContact C-N 3.26Å; Y363-L365 PolarHBondContact O-N 2.82Å; L365-K368 PolarHBondContact O-N 3.32Å; L365-Y369 HydrophobicContact CD2-CD2 4.47Å; L365-Y369 HydrophobicContact CD2-CE2 4.24Å; L365-Y369 WeakPolarHBondContact O-CB 3.49Å; L365-Y369 WeakPolarHBondContact O-CD2 3.13Å; L365-Y369 PolarHBondContact O-N 3Å; L365-L380 HydrophobicContact CB-CD2 3.98Å; L365-I383 HydrophobicContact CD1-CG2 4.06Å; L365-I383 HydrophobicContact CD2-CG2 3.74Å; L365-I383 HydrophobicContact CG-CG2 4.32Å; L365-L384 HydrophobicContact CD1-CB 3.77Å; L365-L384 HydrophobicContact CD1-CD1 4.1Å; L365-L384 HydrophobicContact CD1-CG 4.49Å
366	L	95.2	Very high	94.8	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-51.8	174.3	179.7	57.9	0	0	0	111	L259 W260 L263 L362 Y363 K368 Y369 K370 I373 L380	L259-L366 HydrophobicContact CD1-CD2 4.24Å; L259-L366 HydrophobicContact CD2-CD2 3.97Å; L259-L366 HydrophobicContact CG-CD2 4Å; W260-L366 HydrophobicContact CD2-CD2 4.42Å; W260-L366 HydrophobicContact CE3-CD2 4.21Å; W260-L366 HydrophobicContact CH2-CB 4.13Å; W260-L366 HydrophobicContact CH2-CD2 3.6Å; W260-L366 HydrophobicContact CH2-CG 4.5Å; W260-L366 HydrophobicContact CZ2-CD2 3.83Å; W260-L366 HydrophobicContact CZ3-CD2 3.82Å; L263-L366 HydrophobicContact CD1-CD1 3.63Å; L362-L366 PolarHBondContact O-N 3.36Å; Y363-L366 PolarHBondContact O-N 3.08Å; L366-K368 PolarHBondContact O-N 3.27Å; L366-Y369 PolarHBondContact O-N 2.76Å; L366-K370 HydrophobicContact CD1-CB 4.19Å; L366-K370 WeakPolarHBondContact O-CA 3.36Å; L366-K370 VanDerWaalsContact O-CB 3.23Å; L366-K370 WeakPolarHBondContact O-CB 3.49Å; L366-K370 PolarHBondContact O-N 2.88Å; L366-I373 HydrophobicContact CD1-CD1 4.12Å; L366-L380 HydrophobicContact CB-CD1 4.45Å; L366-L380 HydrophobicContact CB-CD2 4.05Å
367	E	94.3	Very high	94.6	Very high	75 Å²	75	57 Å²	57	35%	0.35	28%	0.28	S	S	.	.	H	α-helix	trans	-58	-37.3	178.6	-83.1	-61.4	115.9	0	0	113	Y363 K370	Y363-E367 HydrophobicContact CD1-CG 4.46Å; Y363-E367 HydrophobicContact CE1-CG 3.84Å; Y363-E367 HydrophobicContact CE2-CG 3.89Å; Y363-E367 PolarHBondContact O-N 3.2Å; E367-K370 WeakPolarHBondContact O-CE 3.31Å; E367-K370 IonicContact OE1-NZ 3.21Å; E367-K370 PolarHBondContact OE1-NZ 3.14Å; E367-K370 IonicContact OE2-NZ 2.7Å; E367-K370 PolarHBondContact OE2-NZ 3.08Å
368	K	96.8	Very high	94.7	Very high	135 Å²	135	54.6 Å²	54.6	59%	0.587	26%	0.261	S	S	*	.	H	α-helix	trans	-74.6	-30.9	178.8	-174.4	178.9	177.2	-160.1	0	114.1	P364 L365 L366	P364-K368 VanDerWaalsContact O-CB 3.25Å; P364-K368 WeakPolarHBondContact O-CB 3.37Å; P364-K368 PolarHBondContact O-N 3.31Å; L365-K368 PolarHBondContact O-N 3.32Å; L366-K368 PolarHBondContact O-N 3.27Å
369	Y	96.1	Very high	94.7	Very high	31 Å²	31	54.4 Å²	54.4	12%	0.122	26%	0.26	C	S	.	.	H	α-helix	trans	-122.5	5.1	-169.8	-66.3	-71.7	0	0	0	115.3	H333 P334 L365 L366 Y371 N372 I373 I383	H333-Y369 HydrophobicContact CB-CD1 3.88Å; H333-Y369 HydrophobicContact CB-CE1 4.26Å; H333-Y369 HydrophobicContact CB-CG 4.45Å; P334-Y369 HydrophobicContact CG-CE1 4.37Å; P334-Y369 WeakPolarHBondContact CG-OH 3.35Å; L365-Y369 HydrophobicContact CD2-CD2 4.47Å; L365-Y369 HydrophobicContact CD2-CE2 4.24Å; L365-Y369 WeakPolarHBondContact O-CB 3.49Å; L365-Y369 WeakPolarHBondContact O-CD2 3.13Å; L365-Y369 PolarHBondContact O-N 3Å; L366-Y369 PolarHBondContact O-N 2.76Å; Y369-Y371 PolarHBondContact O-N 3.21Å; Y369-N372 WeakPolarHBondContact O-CA 3.5Å; Y369-N372 PolarHBondContact O-N 2.99Å; Y369-I373 WeakPolarHBondContact O-CG1 3.04Å; Y369-I373 PolarHBondContact O-N 3.32Å; Y369-I383 HydrophobicContact CD2-CD1 3.86Å; Y369-I383 HydrophobicContact CD2-CG1 4.48Å; Y369-I383 HydrophobicContact CD2-CG2 3.81Å; Y369-I383 HydrophobicContact CE2-CG2 3.61Å; Y369-I383 HydrophobicContact CG-CD1 3.88Å
370	K	92.7	Very high	94.9	Very high	80 Å²	80	53 Å²	53	35%	0.348	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-26.1	-176.9	53.6	-174.5	167.1	-168.4	0	116.7	L366 E367	L366-K370 HydrophobicContact CD1-CB 4.19Å; L366-K370 WeakPolarHBondContact O-CA 3.36Å; L366-K370 VanDerWaalsContact O-CB 3.23Å; L366-K370 WeakPolarHBondContact O-CB 3.49Å; L366-K370 PolarHBondContact O-N 2.88Å; E367-K370 WeakPolarHBondContact O-CE 3.31Å; E367-K370 IonicContact OE1-NZ 3.21Å; E367-K370 PolarHBondContact OE1-NZ 3.14Å; E367-K370 IonicContact OE2-NZ 2.7Å; E367-K370 PolarHBondContact OE2-NZ 3.08Å
371	Y	93.8	Very high	95	Very high	196 Å²	196	48.5 Å²	48.5	77%	0.769	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-8.6	176.3	-55.3	-64.6	0	0	0	114.3	Y369	Y369-Y371 PolarHBondContact O-N 3.21Å
372	N	95	Very high	95.1	Very high	56 Å²	56	45.4 Å²	45.4	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-9.2	-175.6	-65.4	24.1	0	0	0	112.7	M332 H333 Y369	M332-N372 HydrophobicContact CB-CB 4.03Å; M332-N372 PolarHBondContact O-ND2 2.92Å; H333-N372 HydrophobicContact CB-CB 4.48Å; H333-N372 PolarHBondContact CD2-O 3.28Å; Y369-N372 WeakPolarHBondContact O-CA 3.5Å; Y369-N372 PolarHBondContact O-N 2.99Å
373	I	93.3	Very high	95.2	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.128	21%	0.21	C	C	.	.			trans	-78.1	132.6	175	-75.6	164.2	0	0	0	109.2	L366 Y369 G376 D379 L380 I383	L366-I373 HydrophobicContact CD1-CD1 4.12Å; Y369-I373 WeakPolarHBondContact O-CG1 3.04Å; Y369-I373 PolarHBondContact O-N 3.32Å; I373-G376 VanDerWaalsContact CG2-CA 3.42Å; I373-D379 HydrophobicContact CB-CB 4.39Å; I373-D379 HydrophobicContact CG1-CB 4.01Å; I373-D379 HydrophobicContact CG2-CB 4.05Å; I373-L380 HydrophobicContact CD1-CD2 3.61Å; I373-L380 HydrophobicContact CD1-CG 4.1Å; I373-I383 HydrophobicContact CD1-CD1 4.27Å; I373-I383 HydrophobicContact CG1-CD1 4.08Å
374	T	93.3	Very high	95.4	Very high	72 Å²	72	41.1 Å²	41.1	44%	0.442	19%	0.193	S	C	.	.	S	Bend	trans	-118.2	-38	179.1	-56.7	0	0	0	0	111.8	F264 W326 D379	F264-T374 WeakPolarHBondContact CD2-O 3.43Å; W326-T374 HydrophobicContact CH2-CG2 4.35Å; W326-T374 HydrophobicContact CZ2-CG2 3.85Å; T374-D379 PolarHBondContact N-OD2 3.44Å
375	W	92	Very high	95.5	Very high	67 Å²	67	37.4 Å²	37.4	25%	0.254	17%	0.169	S	C	.	.	S	Bend	trans	-102.7	22.8	-179.4	-49.2	109.5	0	0	0	112.7	F264 W326 D377 Q378 D379	F264-W375 AromaticContact CE2-CE3 3.67Å; F264-W375 HydrophobicContact CE2-CE3 3.67Å; F264-W375 HydrophobicContact CE2-CZ3 4.09Å; F264-W375 AromaticContact CZ-CE3 3.73Å; F264-W375 HydrophobicContact CZ-CE3 3.73Å; F264-W375 HydrophobicContact CZ-CZ3 4.13Å; W326-W375 HydrophobicContact CD2-CZ2 4.41Å; W326-W375 AromaticContact CD2-NE1 3.24Å; W326-W375 AromaticContact CE2-CE2 3.95Å; W326-W375 AromaticContact CE2-NE1 3.29Å; W326-W375 VanDerWaalsContact CE2-NE1 3.29Å; W326-W375 AromaticContact CE3-CD1 3.8Å; W326-W375 AromaticContact CE3-NE1 3.28Å; W326-W375 VanDerWaalsContact CE3-NE1 3.28Å; W326-W375 HydrophobicContact CG-CZ2 4.45Å; W326-W375 AromaticContact CG-NE1 3.96Å; W326-W375 AromaticContact CH2-CD1 3.85Å; W326-W375 AromaticContact CH2-NE1 3.53Å; W326-W375 AromaticContact CZ2-NE1 3.47Å; W326-W375 AromaticContact CZ3-CD1 3.61Å; W326-W375 AromaticContact CZ3-NE1 3.43Å; W326-W375 AromaticContact NE1-CZ2 3.78Å; W326-W375 AromaticContact NE1-NE1 3.91Å; W375-D377 PolarHBondContact O-N 3.03Å; W375-D377 VanDerWaalsContact O-N 3.11Å; W375-Q378 HydrophobicContact CB-CB 4Å; W375-Q378 WeakPolarHBondContact O-CB 3.38Å; W375-Q378 PolarHBondContact O-N 2.92Å; W375-D379 PolarHBondContact N-OD2 3.04Å
376	G	93.5	Very high	95.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-112.3	173	0	0	0	0	0	114.3	I373 Q378 D379 L380	I373-G376 VanDerWaalsContact CG2-CA 3.42Å; G376-Q378 VanDerWaalsContact C-N 3.31Å; G376-Q378 PolarHBondContact O-N 3.02Å; G376-D379 PolarHBondContact O-N 3.15Å; G376-D379 VanDerWaalsContact O-N 3.17Å; G376-L380 PolarHBondContact O-N 3.05Å
377	D	93.8	Very high	95.5	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-29.6	-179.5	48.3	-75.8	0	0	0	114.1	L263 S268 S269 R271 L272 W375 I381	L263-D377 HydrophobicContact CD2-CB 4.38Å; S268-D377 WeakPolarHBondContact CB-OD1 3.48Å; S268-D377 PolarHBondContact OG-OD1 3.44Å; S269-D377 PolarHBondContact N-OD1 2.74Å; R271-D377 WeakPolarHBondContact CD-OD2 3.39Å; R271-D377 IonicContact CZ-OD2 3.6Å; R271-D377 IonicContact NE-OD2 2.96Å; R271-D377 PolarHBondContact NE-OD2 3.2Å; R271-D377 IonicContact NH2-OD2 3.66Å; L272-D377 HydrophobicContact CD1-CB 3.69Å; L272-D377 HydrophobicContact CD2-CB 4.07Å; L272-D377 HydrophobicContact CG-CB 3.83Å; W375-D377 PolarHBondContact O-N 3.03Å; W375-D377 VanDerWaalsContact O-N 3.11Å; D377-I381 WeakPolarHBondContact O-CD1 3.32Å; D377-I381 VanDerWaalsContact O-CG1 3.31Å; D377-I381 WeakPolarHBondContact O-CG1 3.41Å; D377-I381 PolarHBondContact O-N 3.42Å
378	Q	96.7	Very high	95.6	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.075	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-37.4	173	-176.3	169.8	-73.4	0	0	111.9	E318 Y327 V341 N342 T343 W375 G376 I381 N382	E318-Q378 PolarHBondContact OE2-NE2 3.3Å; Y327-Q378 WeakPolarHBondContact OH-CG 3.03Å; Y327-Q378 PolarHBondContact OH-NE2 2.9Å; V341-Q378 PolarHBondContact O-NE2 3.11Å; N342-Q378 VanDerWaalsContact CA-OE1 3.32Å; N342-Q378 PolarHBondContact ND2-OE1 2.72Å; T343-Q378 HydrophobicContact CG2-CB 4.47Å; T343-Q378 HydrophobicContact CG2-CG 3.96Å; T343-Q378 VanDerWaalsContact OG1-CB 3.27Å; T343-Q378 WeakPolarHBondContact OG1-CB 3.16Å; T343-Q378 WeakPolarHBondContact OG1-CG 3.37Å; T343-Q378 PolarHBondContact OG1-OE1 2.7Å; W375-Q378 HydrophobicContact CB-CB 4Å; W375-Q378 WeakPolarHBondContact O-CB 3.38Å; W375-Q378 PolarHBondContact O-N 2.92Å; G376-Q378 VanDerWaalsContact C-N 3.31Å; G376-Q378 PolarHBondContact O-N 3.02Å; Q378-I381 PolarHBondContact O-N 3.16Å; Q378-N382 PolarHBondContact O-N 3.08Å; Q378-N382 PolarHBondContact O-ND2 3.23Å
379	D	97.5	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-74	-38.2	-178.4	-71	-17.9	0	0	0	111.5	Y327 H333 I373 T374 W375 G376 I381 N382 I383	Y327-D379 WeakPolarHBondContact CE1-OD1 3.25Å; Y327-D379 VanDerWaalsContact CZ-OD1 3.31Å; Y327-D379 PolarHBondContact OH-OD1 3.09Å; H333-D379 IonicContact CE1-OD1 3.38Å; H333-D379 IonicContact NE2-OD1 2.63Å; H333-D379 IonicContact NE2-OD2 3.9Å; I373-D379 HydrophobicContact CB-CB 4.39Å; I373-D379 HydrophobicContact CG1-CB 4.01Å; I373-D379 HydrophobicContact CG2-CB 4.05Å; T374-D379 PolarHBondContact N-OD2 3.44Å; W375-D379 PolarHBondContact N-OD2 3.04Å; G376-D379 PolarHBondContact O-N 3.15Å; G376-D379 VanDerWaalsContact O-N 3.17Å; D379-I381 VanDerWaalsContact C-N 3.27Å; D379-I381 PolarHBondContact O-N 2.77Å; D379-N382 CarbonylContact O-C 3.57Å; D379-N382 PolarHBondContact O-N 3.25Å; D379-N382 VanDerWaalsContact O-N 3.13Å; D379-I383 WeakPolarHBondContact O-CB 3.12Å; D379-I383 WeakPolarHBondContact O-CD1 3.36Å; D379-I383 WeakPolarHBondContact O-CG1 3.37Å; D379-I383 PolarHBondContact O-N 2.55Å
380	L	97.3	Very high	95.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.3	-41.8	172.3	-69	175.5	0	0	0	112	W260 L263 L272 L365 L366 I373 G376 I383 L384	W260-L380 HydrophobicContact CH2-CD1 4.06Å; W260-L380 HydrophobicContact CZ3-CD1 3.6Å; L263-L380 HydrophobicContact CD2-CD1 3.82Å; L272-L380 HydrophobicContact CD1-CD1 4.03Å; L365-L380 HydrophobicContact CB-CD2 3.98Å; L366-L380 HydrophobicContact CB-CD1 4.45Å; L366-L380 HydrophobicContact CB-CD2 4.05Å; I373-L380 HydrophobicContact CD1-CD2 3.61Å; I373-L380 HydrophobicContact CD1-CG 4.1Å; G376-L380 PolarHBondContact O-N 3.05Å; L380-I383 PolarHBondContact O-N 2.85Å; L380-L384 VanDerWaalsContact O-CB 3.3Å; L380-L384 WeakPolarHBondContact O-CB 3.23Å; L380-L384 PolarHBondContact O-N 2.88Å
381	I	97.5	Very high	95.8	Very high	2 Å²	2	42 Å²	42	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-45.2	175.1	-68	168.3	0	0	0	110.7	L272 V341 T343 M346 W358 D377 Q378 D379 L384 F385	L272-I381 HydrophobicContact CD2-CD1 3.8Å; L272-I381 HydrophobicContact CD2-CG1 3.86Å; V341-I381 HydrophobicContact CG2-CG2 4.47Å; T343-I381 HydrophobicContact CG2-CB 4.12Å; T343-I381 HydrophobicContact CG2-CD1 3.69Å; T343-I381 HydrophobicContact CG2-CG2 3.81Å; M346-I381 HydrophobicContact CE-CD1 4.17Å; M346-I381 HydrophobicContact SD-CD1 3.96Å; W358-I381 HydrophobicContact CH2-CG1 4.07Å; W358-I381 HydrophobicContact CZ2-CG1 4.16Å; D377-I381 WeakPolarHBondContact O-CD1 3.32Å; D377-I381 VanDerWaalsContact O-CG1 3.31Å; D377-I381 WeakPolarHBondContact O-CG1 3.41Å; D377-I381 PolarHBondContact O-N 3.42Å; Q378-I381 PolarHBondContact O-N 3.16Å; D379-I381 VanDerWaalsContact C-N 3.27Å; D379-I381 PolarHBondContact O-N 2.77Å; I381-L384 PolarHBondContact O-N 2.78Å; I381-F385 HydrophobicContact CG2-CD2 3.67Å; I381-F385 HydrophobicContact CG2-CE2 3.65Å; I381-F385 VanDerWaalsContact O-CD2 3.24Å; I381-F385 WeakPolarHBondContact O-CD2 3.48Å; I381-F385 PolarHBondContact O-N 3.36Å; I381-F385 VanDerWaalsContact O-N 3.1Å
382	N	98.4	Very high	96	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-42.3	177	-89.2	-81.3	0	0	0	112.9	Y327 F335 L336 G340 V341 Q378 D379 S386	Y327-N382 HydrophobicContact CE1-CB 4.4Å; Y327-N382 PolarHBondContact OH-ND2 3Å; F335-N382 WeakPolarHBondContact CA-O 3.47Å; F335-N382 HydrophobicContact CB-CB 4.03Å; L336-N382 PolarHBondContact N-O 3.27Å; G340-N382 WeakPolarHBondContact CA-OD1 3.29Å; V341-N382 PolarHBondContact N-OD1 3.05Å; V341-N382 PolarHBondContact O-ND2 2.82Å; Q378-N382 PolarHBondContact O-N 3.08Å; Q378-N382 PolarHBondContact O-ND2 3.23Å; D379-N382 CarbonylContact O-C 3.57Å; D379-N382 PolarHBondContact O-N 3.25Å; D379-N382 VanDerWaalsContact O-N 3.13Å; N382-S386 PolarHBondContact O-N 3.13Å
383	I	98.1	Very high	96.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-50.4	177.2	-66.3	159.4	0	0	0	109.8	H333 P334 L365 Y369 I373 D379 L380 F385 S386	H333-I383 HydrophobicContact CB-CD1 4.05Å; H333-I383 HydrophobicContact CB-CG1 4.07Å; H333-I383 VanDerWaalsContact ND1-CG1 3.27Å; H333-I383 WeakPolarHBondContact ND1-CG1 3.35Å; P334-I383 VanDerWaalsContact O-CA 3.31Å; P334-I383 WeakPolarHBondContact O-CA 3.42Å; P334-I383 WeakPolarHBondContact O-CG1 3.36Å; L365-I383 HydrophobicContact CD1-CG2 4.06Å; L365-I383 HydrophobicContact CD2-CG2 3.74Å; L365-I383 HydrophobicContact CG-CG2 4.32Å; Y369-I383 HydrophobicContact CD2-CD1 3.86Å; Y369-I383 HydrophobicContact CD2-CG1 4.48Å; Y369-I383 HydrophobicContact CD2-CG2 3.81Å; Y369-I383 HydrophobicContact CE2-CG2 3.61Å; Y369-I383 HydrophobicContact CG-CD1 3.88Å; I373-I383 HydrophobicContact CD1-CD1 4.27Å; I373-I383 HydrophobicContact CG1-CD1 4.08Å; D379-I383 WeakPolarHBondContact O-CB 3.12Å; D379-I383 WeakPolarHBondContact O-CD1 3.36Å; D379-I383 WeakPolarHBondContact O-CG1 3.37Å; D379-I383 PolarHBondContact O-N 2.55Å; L380-I383 PolarHBondContact O-N 2.85Å; I383-F385 VanDerWaalsContact C-N 3.28Å; I383-F385 PolarHBondContact O-N 2.59Å; I383-S386 WeakPolarHBondContact O-CB 3.2Å; I383-S386 PolarHBondContact O-N 2.78Å; I383-S386 PolarHBondContact O-OG 3.03Å
384	L	97.3	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.3	-41.2	-179.6	179	58.2	0	0	0	112.3	F356 W358 H361 L365 L380 I381 K388	F356-L384 HydrophobicContact CE1-CD1 4.32Å; F356-L384 HydrophobicContact CE1-CD2 4.3Å; F356-L384 HydrophobicContact CZ-CD1 4.28Å; W358-L384 HydrophobicContact CD2-CD2 4.5Å; W358-L384 HydrophobicContact CE3-CD2 3.74Å; W358-L384 HydrophobicContact CH2-CD2 3.89Å; W358-L384 HydrophobicContact CZ3-CD2 3.39Å; H361-L384 HydrophobicContact CB-CD1 3.97Å; L365-L384 HydrophobicContact CD1-CB 3.77Å; L365-L384 HydrophobicContact CD1-CD1 4.1Å; L365-L384 HydrophobicContact CD1-CG 4.49Å; L380-L384 VanDerWaalsContact O-CB 3.3Å; L380-L384 WeakPolarHBondContact O-CB 3.23Å; L380-L384 PolarHBondContact O-N 2.88Å; I381-L384 PolarHBondContact O-N 2.78Å; L384-K388 HydrophobicContact CD1-CD 3.9Å; L384-K388 WeakPolarHBondContact O-CB 3.49Å
385	F	97.1	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-86.9	-9.7	-179.7	-65.1	-43.8	0	0	0	115.2	M312 I313 L336 W358 I381 I383 E387 K388 K389 R391 V392	M312-F385 HydrophobicContact CE-CE1 4.33Å; I313-F385 HydrophobicContact CB-CE2 3.86Å; I313-F385 HydrophobicContact CB-CZ 3.8Å; I313-F385 HydrophobicContact CG1-CE2 3.79Å; I313-F385 HydrophobicContact CG1-CZ 3.55Å; I313-F385 HydrophobicContact CG2-CE2 4.15Å; L336-F385 HydrophobicContact CB-CB 4.44Å; L336-F385 HydrophobicContact CD2-CB 4.37Å; W358-F385 HydrophobicContact CH2-CE2 4.38Å; W358-F385 HydrophobicContact CH2-CZ 4.19Å; W358-F385 HydrophobicContact CZ3-CE1 4.33Å; W358-F385 HydrophobicContact CZ3-CE2 4.36Å; W358-F385 AromaticContact CZ3-CZ 3.72Å; W358-F385 HydrophobicContact CZ3-CZ 3.72Å; I381-F385 HydrophobicContact CG2-CD2 3.67Å; I381-F385 HydrophobicContact CG2-CE2 3.65Å; I381-F385 VanDerWaalsContact O-CD2 3.24Å; I381-F385 WeakPolarHBondContact O-CD2 3.48Å; I381-F385 PolarHBondContact O-N 3.36Å; I381-F385 VanDerWaalsContact O-N 3.1Å; I383-F385 VanDerWaalsContact C-N 3.28Å; I383-F385 PolarHBondContact O-N 2.59Å; F385-E387 PolarHBondContact O-N 3.28Å; F385-K388 PolarHBondContact O-N 3.43Å; F385-K389 WeakPolarHBondContact O-CG 3.49Å; F385-K389 PolarHBondContact O-N 3.36Å; F385-R391 HydrophobicContact CE1-CB 4.11Å; F385-V392 HydrophobicContact CB-CG2 3.63Å; F385-V392 HydrophobicContact CD1-CG2 3.3Å; F385-V392 HydrophobicContact CD2-CG2 3.36Å; F385-V392 HydrophobicContact CE1-CG2 3.68Å; F385-V392 HydrophobicContact CE2-CG2 3.7Å; F385-V392 HydrophobicContact CG-CG2 3.14Å; F385-V392 HydrophobicContact CZ-CG2 3.86Å
386	S	97.3	Very high	96.9	Very high	21 Å²	21	30.5 Å²	30.5	15%	0.147	15%	0.149	C	C	.	.	H	α-helix	trans	-57	-38.7	171	74	0	0	0	0	112.3	P334 F335 N382 I383 K389	P334-S386 WeakPolarHBondContact CB-OG 3.11Å; F335-S386 WeakPolarHBondContact O-CB 3.45Å; N382-S386 PolarHBondContact O-N 3.13Å; I383-S386 WeakPolarHBondContact O-CB 3.2Å; I383-S386 PolarHBondContact O-N 2.78Å; I383-S386 PolarHBondContact O-OG 3.03Å; S386-K389 WeakPolarHBondContact O-CE 3.21Å
387	E	94.1	Very high	97	Very high	125 Å²	125	30.4 Å²	30.4	58%	0.584	15%	0.148	S	C	*	.	H	α-helix	trans	-86.1	-38.1	174.5	-65.5	172.3	177.8	0	0	112.3	F385	F385-E387 PolarHBondContact O-N 3.28Å
388	K	95.6	Very high	97.1	Very high	43 Å²	43	30.2 Å²	30.2	19%	0.187	15%	0.147	C	C	.	.			trans	-110.8	46.5	-162.3	-56	177.9	-173.2	67.4	0	112.6	F356 L384 F385 D390 R391	F356-K388 HydrophobicContact CE2-CD 4.13Å; F356-K388 HydrophobicContact CZ-CD 3.62Å; L384-K388 HydrophobicContact CD1-CD 3.9Å; L384-K388 WeakPolarHBondContact O-CB 3.49Å; F385-K388 PolarHBondContact O-N 3.43Å; K388-D390 VanDerWaalsContact C-N 3.27Å; K388-D390 PolarHBondContact O-N 2.95Å; K388-R391 WeakPolarHBondContact O-CB 3.49Å; K388-R391 PolarHBondContact O-N 2.91Å; K388-R391 VanDerWaalsContact O-N 3.09Å
389	K	96.4	Very high	97.2	Very high	104 Å²	104	30.2 Å²	30.2	45%	0.452	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-59.5	-32.2	-170.6	-51.2	-173	-177.8	174.3	0	113.9	L336 F385 S386 R391 V392	L336-K389 HydrophobicContact CD1-CB 4.01Å; L336-K389 HydrophobicContact CD1-CD 3.94Å; L336-K389 HydrophobicContact CD1-CG 3.62Å; F385-K389 WeakPolarHBondContact O-CG 3.49Å; F385-K389 PolarHBondContact O-N 3.36Å; S386-K389 WeakPolarHBondContact O-CE 3.21Å; K389-R391 PolarHBondContact O-N 2.9Å; K389-R391 VanDerWaalsContact O-N 3.12Å; K389-V392 PolarHBondContact O-N 2.89Å; K389-V392 VanDerWaalsContact O-N 3.17Å
390	D	96.9	Very high	97.2	Very high	74 Å²	74	30.3 Å²	30.3	40%	0.396	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-68.7	-5.1	178.9	67.5	-25.5	0	0	0	113.9	K310 K388	K310-D390 HydrophobicContact CD-CB 4.32Å; K310-D390 WeakPolarHBondContact CD-OD2 3.49Å; K310-D390 WeakPolarHBondContact CE-OD2 3.3Å; K310-D390 IonicContact NZ-OD2 2.75Å; K310-D390 PolarHBondContact NZ-OD2 3.17Å; K388-D390 VanDerWaalsContact C-N 3.27Å; K388-D390 PolarHBondContact O-N 2.95Å
391	R	97.6	Very high	97.2	Very high	76 Å²	76	30.5 Å²	30.5	29%	0.287	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-98.7	-0.4	175.7	-56	-176.9	177.2	-100.1	6.5	113.8	Q311 M312 I313 F356 F385 K388 K389	Q311-R391 WeakPolarHBondContact CA-O 3.23Å; M312-R391 HydrophobicContact CE-CB 3.65Å; M312-R391 VanDerWaalsContact CE-CD 3.48Å; M312-R391 HydrophobicContact CE-CG 4.04Å; M312-R391 PolarHBondContact N-O 3.07Å; I313-R391 PolarHBondContact N-O 3.09Å; F356-R391 VanDerWaalsContact CD2-CZ 3.45Å; F356-R391 VanDerWaalsContact CD2-NH1 3.29Å; F385-R391 HydrophobicContact CE1-CB 4.11Å; K388-R391 WeakPolarHBondContact O-CB 3.49Å; K388-R391 PolarHBondContact O-N 2.91Å; K388-R391 VanDerWaalsContact O-N 3.09Å; K389-R391 PolarHBondContact O-N 2.9Å; K389-R391 VanDerWaalsContact O-N 3.12Å
392	V	98.1	Very high	97	Very high	8 Å²	8	31 Å²	31	5%	0.048	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.4	178.8	-171.5	0	0	0	0	111.5	Q311 I313 V315 L336 F385 K389 L394	Q311-V392 PolarHBondContact NE2-O 2.99Å; I313-V392 CarbonylContact O-C 3.59Å; I313-V392 WeakPolarHBondContact O-CA 3.34Å; V315-V392 HydrophobicContact CG1-CG1 3.7Å; L336-V392 HydrophobicContact CD2-CB 4.1Å; L336-V392 HydrophobicContact CD2-CG1 3.93Å; L336-V392 HydrophobicContact CD2-CG2 4.06Å; F385-V392 HydrophobicContact CB-CG2 3.63Å; F385-V392 HydrophobicContact CD1-CG2 3.3Å; F385-V392 HydrophobicContact CD2-CG2 3.36Å; F385-V392 HydrophobicContact CE1-CG2 3.68Å; F385-V392 HydrophobicContact CE2-CG2 3.7Å; F385-V392 HydrophobicContact CG-CG2 3.14Å; F385-V392 HydrophobicContact CZ-CG2 3.86Å; K389-V392 PolarHBondContact O-N 2.89Å; K389-V392 VanDerWaalsContact O-N 3.17Å; V392-L394 HydrophobicContact CG1-CD2 3.99Å; V392-L394 HydrophobicContact CG1-CG 4.44Å
393	F	98.3	Very high	96.7	Very high	15 Å²	15	31 Å²	31	7%	0.066	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120	165.8	176.7	-92.9	0	0	0	109	L303 R306 F307 Q311 I313 G314 V315 F395	L303-F393 HydrophobicContact CB-CE1 4.07Å; L303-F393 HydrophobicContact CD1-CE1 4.41Å; R306-F393 HydrophobicContact CB-CD2 4.5Å; R306-F393 HydrophobicContact CB-CE2 3.58Å; R306-F393 HydrophobicContact CB-CZ 3.77Å; F307-F393 HydrophobicContact CD1-CB 3.73Å; F307-F393 HydrophobicContact CD1-CD1 4.14Å; F307-F393 HydrophobicContact CD1-CD2 4.09Å; F307-F393 AromaticContact CD1-CG 3.73Å; F307-F393 HydrophobicContact CD1-CG 3.73Å; F307-F393 HydrophobicContact CE1-CB 3.61Å; F307-F393 AromaticContact CE1-CD1 3.74Å; F307-F393 HydrophobicContact CE1-CD1 3.74Å; F307-F393 HydrophobicContact CE1-CD2 4.5Å; F307-F393 AromaticContact CE1-CG 3.71Å; F307-F393 HydrophobicContact CE1-CG 3.71Å; F307-F393 HydrophobicContact CG-CB 4.47Å; F307-F393 HydrophobicContact CZ-CB 4.25Å; Q311-F393 HydrophobicContact CB-CB 4.5Å; Q311-F393 HydrophobicContact CG-CB 4.39Å; I313-F393 PolarHBondContact O-N 3.13Å; G314-F393 CarbonylContact C-O 3.51Å; G314-F393 WeakPolarHBondContact CA-O 3.48Å; V315-F393 PolarHBondContact N-O 3.03Å; F393-F395 HydrophobicContact CD1-CD1 4.47Å; F393-F395 HydrophobicContact CE1-CB 4.06Å
394	L	98.1	Very high	96.3	Very high	85 Å²	85	32.1 Å²	32.1	45%	0.445	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.5	175.8	-66.5	177.9	0	0	0	110.1	V315 L336 V341 V392	V315-L394 HydrophobicContact CG1-CD2 4.02Å; V315-L394 WeakPolarHBondContact O-CA 3.32Å; L336-L394 HydrophobicContact CD2-CD2 4.16Å; V341-L394 HydrophobicContact CG1-CD2 3.59Å; V392-L394 HydrophobicContact CG1-CD2 3.99Å; V392-L394 HydrophobicContact CG1-CG 4.44Å
395	F	97.7	Very high	96.1	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.031	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-98.2	162.5	166.9	53.4	-120.1	0	0	0	111.5	I300 L303 G314 V315 A316 P317 V345 L347 F393 W399	I300-F395 HydrophobicContact CD1-CE1 4.16Å; I300-F395 HydrophobicContact CD1-CZ 4.06Å; L303-F395 HydrophobicContact CD1-CB 3.88Å; L303-F395 HydrophobicContact CD1-CD1 4.05Å; L303-F395 HydrophobicContact CD1-CG 4.23Å; G314-F395 WeakPolarHBondContact O-CE1 3.41Å; V315-F395 PolarHBondContact O-N 2.85Å; A316-F395 HydrophobicContact CB-CD2 3.86Å; A316-F395 HydrophobicContact CB-CE2 3.66Å; A316-F395 VanDerWaalsContact N-CE2 3.29Å; P317-F395 WeakPolarHBondContact CD-O 3.5Å; V345-F395 HydrophobicContact CB-CZ 4.28Å; V345-F395 HydrophobicContact CG1-CZ 3.93Å; L347-F395 HydrophobicContact CD1-CD1 4.06Å; L347-F395 HydrophobicContact CD1-CE1 3.92Å; L347-F395 HydrophobicContact CG-CE1 4.23Å; F393-F395 HydrophobicContact CD1-CD1 4.47Å; F393-F395 HydrophobicContact CE1-CB 4.06Å; F395-W399 HydrophobicContact CD2-CB 3.49Å; F395-W399 VanDerWaalsContact CD2-CB 3.49Å; F395-W399 HydrophobicContact CD2-CG 4.14Å; F395-W399 HydrophobicContact CE2-CB 3.58Å; F395-W399 HydrophobicContact CG-CB 4.26Å; F395-W399 HydrophobicContact CZ-CB 4.42Å
396	T	97.2	Very high	95.7	Very high	58 Å²	58	32.8 Å²	32.8	36%	0.356	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-74.9	153	-175.2	39.1	0	0	0	0	112.6	D398 W399	T396-D398 WeakPolarHBondContact CB-OD1 3.46Å; T396-D398 PolarHBondContact O-N 2.93Å; T396-D398 PolarHBondContact OG1-OD1 2.79Å; T396-W399 WeakPolarHBondContact O-CB 3.46Å; T396-W399 PolarHBondContact O-N 3.16Å
397	C	96.7	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-55.2	-20.2	-177	52.9	0	0	0	0	115.4	E320 W399 N400 Y401 H405 C412 S414	E320-C397 HydrophobicContact CG-CB 4.18Å; C397-W399 PolarHBondContact O-N 2.84Å; C397-W399 VanDerWaalsContact O-N 3.15Å; C397-N400 CarbonylContact O-C 3.28Å; C397-N400 VanDerWaalsContact O-C 3.28Å; C397-N400 PolarHBondContact O-N 2.87Å; C397-Y401 WeakPolarHBondContact O-CA 3.27Å; C397-Y401 PolarHBondContact O-N 2.89Å; C397-H405 WeakPolarHBondContact CB-NE2 3.46Å; C397-C412 HydrophobicContact CB-CB 4Å; C397-C412 WeakPolarHBondContact CB-SG 3.5Å; C397-C412 WeakPolarHBondContact SG-CA 3.15Å; C397-C412 WeakPolarHBondContact SG-CB 3.26Å; C397-C412 CovalentContact SG-SG 2.03Å; C397-C412 PolarHBondContact SG-SG 3.34Å; C397-S414 PolarHBondContact SG-OG 3Å
398	D	95.8	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-59.9	-21.9	173.3	70.5	-74.7	0	0	0	113.7	T396 C412 S414 A415 S421 I422	T396-D398 WeakPolarHBondContact CB-OD1 3.46Å; T396-D398 PolarHBondContact O-N 2.93Å; T396-D398 PolarHBondContact OG1-OD1 2.79Å; D398-C412 PolarHBondContact N-SG 2.96Å; D398-C412 VanDerWaalsContact N-SG 3.44Å; D398-S414 PolarHBondContact N-OG 2.7Å; D398-S414 WeakPolarHBondContact OD1-CB 3.45Å; D398-S414 PolarHBondContact OD1-OG 3.2Å; D398-A415 HydrophobicContact CB-CB 4.35Å; D398-S421 WeakPolarHBondContact O-CA 3.24Å; D398-S421 VanDerWaalsContact O-CB 3.26Å; D398-S421 WeakPolarHBondContact O-CB 3.13Å; D398-S421 PolarHBondContact O-N 3.39Å; D398-S421 PolarHBondContact OD2-OG 3.04Å; D398-I422 PolarHBondContact O-N 3.3Å
399	W	98	Very high	93.8	Very high	15 Å²	15	36.4 Å²	36.4	6%	0.057	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-89.5	0	176.1	-61.8	102.1	0	0	0	114.4	R295 D299 I300 F395 T396 C397 I422	R295-W399 VanDerWaalsContact CZ-CH2 3.48Å; R295-W399 VanDerWaalsContact NH1-CZ2 3.34Å; D299-W399 HydrophobicContact CB-CH2 3.58Å; D299-W399 HydrophobicContact CB-CZ3 4.17Å; I300-W399 HydrophobicContact CB-CD2 4.35Å; I300-W399 HydrophobicContact CB-CE3 3.6Å; I300-W399 HydrophobicContact CB-CH2 4.42Å; I300-W399 HydrophobicContact CB-CZ3 3.64Å; I300-W399 HydrophobicContact CD1-CB 4.2Å; I300-W399 HydrophobicContact CD1-CD2 4.4Å; I300-W399 HydrophobicContact CD1-CE3 4Å; I300-W399 HydrophobicContact CG1-CD2 4.48Å; I300-W399 HydrophobicContact CG1-CE3 4.08Å; I300-W399 HydrophobicContact CG2-CE3 4.5Å; I300-W399 HydrophobicContact CG2-CZ3 4.39Å; F395-W399 HydrophobicContact CD2-CB 3.49Å; F395-W399 VanDerWaalsContact CD2-CB 3.49Å; F395-W399 HydrophobicContact CD2-CG 4.14Å; F395-W399 HydrophobicContact CE2-CB 3.58Å; F395-W399 HydrophobicContact CG-CB 4.26Å; F395-W399 HydrophobicContact CZ-CB 4.42Å; T396-W399 WeakPolarHBondContact O-CB 3.46Å; T396-W399 PolarHBondContact O-N 3.16Å; C397-W399 PolarHBondContact O-N 2.84Å; C397-W399 VanDerWaalsContact O-N 3.15Å; W399-I422 HydrophobicContact CE3-CD1 4.01Å; W399-I422 HydrophobicContact CE3-CG1 4.15Å
400	N	97.8	Very high	93.2	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	17%	0.165	C	C	.	.	S	Bend	trans	-155.1	53.9	176.6	-167.2	-5.1	0	0	0	109.8	A316 N342 V345 C397 R402 H405 H424	A316-N400 HydrophobicContact CB-CB 3.58Å; N342-N400 PolarHBondContact O-ND2 3.4Å; N342-N400 PolarHBondContact OD1-ND2 2.8Å; V345-N400 HydrophobicContact CB-CB 4.29Å; V345-N400 HydrophobicContact CG2-CB 4.14Å; C397-N400 CarbonylContact O-C 3.28Å; C397-N400 VanDerWaalsContact O-C 3.28Å; C397-N400 PolarHBondContact O-N 2.87Å; N400-R402 PolarHBondContact O-N 2.99Å; N400-H405 PolarHBondContact O-CE1 3.43Å; N400-H424 WeakPolarHBondContact OD1-CB 3.21Å; N400-H424 PolarHBondContact OD1-ND1 3.33Å
401	Y	96.5	Very high	93	Very high	3 Å²	3	31.5 Å²	31.5	1%	0.012	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-79.1	98.1	-167.3	-171.2	-87	0	0	0	111.5	C397 H405 C406 Q410 C412 A415 I420 I422 L423 H424 F438	C397-Y401 WeakPolarHBondContact O-CA 3.27Å; C397-Y401 PolarHBondContact O-N 2.89Å; Y401-H405 HydrophobicContact CD2-CB 4.15Å; Y401-H405 HydrophobicContact CE2-CB 3.82Å; Y401-C406 WeakPolarHBondContact OH-CB 3.19Å; Y401-C406 PolarHBondContact OH-SG 3.13Å; Y401-C406 VanDerWaalsContact OH-SG 3.4Å; Y401-Q410 PolarHBondContact OH-OE1 2.76Å; Y401-Q410 VanDerWaalsContact OH-OE1 3.13Å; Y401-C412 HydrophobicContact CD2-CB 4Å; Y401-C412 HydrophobicContact CE2-CB 3.78Å; Y401-A415 HydrophobicContact CD2-CB 3.8Å; Y401-A415 HydrophobicContact CE2-CB 3.66Å; Y401-I420 HydrophobicContact CD1-CD1 3.56Å; Y401-I420 HydrophobicContact CD1-CG1 4.01Å; Y401-I420 HydrophobicContact CD1-CG2 4.2Å; Y401-I420 HydrophobicContact CD2-CD1 3.98Å; Y401-I420 HydrophobicContact CD2-CG1 3.72Å; Y401-I420 HydrophobicContact CE1-CD1 3.39Å; Y401-I420 HydrophobicContact CE1-CG1 4.21Å; Y401-I420 HydrophobicContact CE2-CD1 3.79Å; Y401-I420 HydrophobicContact CE2-CG1 3.89Å; Y401-I420 HydrophobicContact CG-CB 4.47Å; Y401-I420 HydrophobicContact CG-CD1 3.83Å; Y401-I420 HydrophobicContact CG-CG1 3.74Å; Y401-I420 HydrophobicContact CG-CG2 3.89Å; Y401-I420 VanDerWaalsContact CZ-CD1 3.48Å; Y401-I422 VanDerWaalsContact CB-O 3.32Å; Y401-I422 WeakPolarHBondContact CB-O 3.49Å; Y401-I422 PolarHBondContact N-O 3.31Å; Y401-L423 HydrophobicContact CD1-CD1 3.99Å; Y401-H424 PolarHBondContact O-N 2.9Å; Y401-F438 AromaticContact CD1-CZ 3.79Å; Y401-F438 HydrophobicContact CD1-CZ 3.79Å; Y401-F438 HydrophobicContact CE1-CE2 4.26Å; Y401-F438 AromaticContact CE1-CZ 3.85Å; Y401-F438 HydrophobicContact CE1-CZ 3.85Å
402	R	95.3	Very high	92.7	Very high	12 Å²	12	27.9 Å²	27.9	5%	0.045	14%	0.139	C	C	.	.			trans	-86.6	160.6	171.1	-70.8	167.7	39.8	-179.9	-14.5	113.4	E318 N342 N400 D404 H405 H424	E318-R402 IonicContact OE1-CZ 3.01Å; E318-R402 IonicContact OE1-NH1 2.77Å; E318-R402 PolarHBondContact OE1-NH1 3.21Å; E318-R402 IonicContact OE1-NH2 2.79Å; E318-R402 PolarHBondContact OE1-NH2 3.44Å; E318-R402 IonicContact OE2-NH1 3.71Å; E318-R402 PolarHBondContact OE2-NH1 2.79Å; N342-R402 PolarHBondContact ND2-NH1 3.47Å; N400-R402 PolarHBondContact O-N 2.99Å; R402-D404 WeakPolarHBondContact CB-OD2 3.49Å; R402-D404 IonicContact CZ-OD1 3.5Å; R402-D404 IonicContact CZ-OD2 3.47Å; R402-D404 IonicContact NE-OD2 2.72Å; R402-D404 PolarHBondContact NE-OD2 3.01Å; R402-D404 IonicContact NH2-OD1 2.75Å; R402-D404 PolarHBondContact NH2-OD1 2.97Å; R402-D404 IonicContact NH2-OD2 3.29Å; R402-D404 PolarHBondContact NH2-OD2 3.13Å; R402-D404 VanDerWaalsContact NH2-OD2 3.16Å; R402-D404 PolarHBondContact O-N 3.01Å; R402-H405 PolarHBondContact N-ND1 3.23Å; R402-H405 VanDerWaalsContact N-ND1 3.13Å; R402-H405 WeakPolarHBondContact O-CB 3.15Å; R402-H405 PolarHBondContact O-N 2.8Å; R402-H405 VanDerWaalsContact O-N 3.13Å; R402-H405 PolarHBondContact O-ND1 2.03Å; R402-H424 HydrophobicContact CG-CB 3.88Å
403	P	91.2	Very high	92.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-55.7	-28.1	172.3	-30.1	40	0	0	0	115.1	H405 C406 M407 Y429 Q435 F438	P403-H405 PolarHBondContact O-N 3.2Å; P403-C406 PolarHBondContact O-N 3.25Å; P403-M407 WeakPolarHBondContact O-CB 2.96Å; P403-M407 PolarHBondContact O-N 3.23Å; P403-Y429 HydrophobicContact CB-CD2 4.04Å; P403-Y429 HydrophobicContact CB-CE2 4.1Å; P403-Y429 HydrophobicContact CB-CG 4.33Å; P403-Y429 HydrophobicContact CG-CD1 4.32Å; P403-Y429 HydrophobicContact CG-CD2 3.55Å; P403-Y429 HydrophobicContact CG-CE2 4.13Å; P403-Y429 HydrophobicContact CG-CG 3.68Å; P403-Q435 HydrophobicContact CB-CG 4.19Å; P403-F438 HydrophobicContact CB-CE2 4.35Å; P403-F438 HydrophobicContact CB-CZ 4.25Å; P403-F438 VanDerWaalsContact CD-CE1 3.45Å; P403-F438 HydrophobicContact CG-CD1 3.92Å; P403-F438 HydrophobicContact CG-CD2 4.2Å; P403-F438 HydrophobicContact CG-CE1 3.59Å; P403-F438 HydrophobicContact CG-CE2 3.91Å; P403-F438 HydrophobicContact CG-CG 4.22Å; P403-F438 HydrophobicContact CG-CZ 3.59Å
404	D	90.2	Very high	92.2	Very high	25 Å²	25	35.3 Å²	35.3	13%	0.134	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-53.8	-25.8	175.5	-47.7	-119	0	0	0	112.7	R402 C406 R427	R402-D404 WeakPolarHBondContact CB-OD2 3.49Å; R402-D404 IonicContact CZ-OD1 3.5Å; R402-D404 IonicContact CZ-OD2 3.47Å; R402-D404 IonicContact NE-OD2 2.72Å; R402-D404 PolarHBondContact NE-OD2 3.01Å; R402-D404 IonicContact NH2-OD1 2.75Å; R402-D404 PolarHBondContact NH2-OD1 2.97Å; R402-D404 IonicContact NH2-OD2 3.29Å; R402-D404 PolarHBondContact NH2-OD2 3.13Å; R402-D404 VanDerWaalsContact NH2-OD2 3.16Å; R402-D404 PolarHBondContact O-N 3.01Å; D404-C406 VanDerWaalsContact C-N 3.32Å; D404-C406 PolarHBondContact O-N 3.13Å; D404-R427 VanDerWaalsContact CG-NH1 3.28Å; D404-R427 IonicContact OD1-CZ 2.8Å; D404-R427 VanDerWaalsContact OD1-CZ 3.3Å; D404-R427 IonicContact OD1-NH1 2.8Å; D404-R427 PolarHBondContact OD1-NH1 2.79Å; D404-R427 IonicContact OD1-NH2 3.54Å; D404-R427 PolarHBondContact OD1-NH2 3.1Å; D404-R427 IonicContact OD2-NH1 3.47Å; D404-R427 PolarHBondContact OD2-NH1 2.98Å
405	H	92.1	Very high	91.8	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.023	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-76	-13.6	178	-60.2	109.3	0	0	0	114.7	C397 N400 Y401 R402 P403 T409 Q410 L411 C412	C397-H405 WeakPolarHBondContact CB-NE2 3.46Å; N400-H405 PolarHBondContact O-CE1 3.43Å; Y401-H405 HydrophobicContact CD2-CB 4.15Å; Y401-H405 HydrophobicContact CE2-CB 3.82Å; R402-H405 PolarHBondContact N-ND1 3.23Å; R402-H405 VanDerWaalsContact N-ND1 3.13Å; R402-H405 WeakPolarHBondContact O-CB 3.15Å; R402-H405 PolarHBondContact O-N 2.8Å; R402-H405 VanDerWaalsContact O-N 3.13Å; R402-H405 PolarHBondContact O-ND1 2.03Å; P403-H405 PolarHBondContact O-N 3.2Å; H405-T409 VanDerWaalsContact O-O 3.04Å; H405-Q410 PolarHBondContact O-OE1 3.39Å; H405-Q410 VanDerWaalsContact O-OE1 3.08Å; H405-L411 PolarHBondContact O-N 2.98Å; H405-C412 HydrophobicContact CB-CB 3.87Å
406	C	89.3	Confident	91.2	Very high	10 Å²	10	34.6 Å²	34.6	7%	0.068	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.5	-3.1	-170.6	52.9	0	0	0	0	115.7	C131 Y401 P403 D404 Y408 T409	C131-C406 HydrophobicContact CB-CB 3.76Å; C131-C406 WeakPolarHBondContact CB-SG 3.07Å; C131-C406 WeakPolarHBondContact SG-CB 3.44Å; C131-C406 CovalentContact SG-SG 2.03Å; C131-C406 PolarHBondContact SG-SG 2.78Å; Y401-C406 WeakPolarHBondContact OH-CB 3.19Å; Y401-C406 PolarHBondContact OH-SG 3.13Å; Y401-C406 VanDerWaalsContact OH-SG 3.4Å; P403-C406 PolarHBondContact O-N 3.25Å; D404-C406 VanDerWaalsContact C-N 3.32Å; D404-C406 PolarHBondContact O-N 3.13Å; C406-Y408 VanDerWaalsContact C-N 3.28Å; C406-Y408 PolarHBondContact O-N 3.14Å; C406-T409 WeakPolarHBondContact CA-O 3.35Å
407	M	83.6	Confident	90.7	Very high	17 Å²	17	35.8 Å²	35.8	8%	0.084	19%	0.185	C	C	.	.	S	Bend	trans	-63.4	-25.1	-177	-170.5	-173.8	-53.8	0	0	115	A128 A129 P403 Y429	A128-M407 HydrophobicContact CB-CG 4.47Å; A129-M407 WeakPolarHBondContact CB-O 3.32Å; A129-M407 PolarHBondContact N-O 2.97Å; P403-M407 WeakPolarHBondContact O-CB 2.96Å; P403-M407 PolarHBondContact O-N 3.23Å; M407-Y429 HydrophobicContact CE-CE2 4.47Å; M407-Y429 VanDerWaalsContact CE-OH 3.22Å; M407-Y429 WeakPolarHBondContact CE-OH 3.24Å
408	Y	79.2	Confident	90.3	Very high	160 Å²	160	42 Å²	42	63%	0.627	21%	0.212	S	C	*	.	S	Bend	trans	-124	-43.2	-178.7	-53.6	-62.1	0	0	0	112.2	T324 C406	T324-Y408 HydrophobicContact CG2-CD2 3.91Å; T324-Y408 HydrophobicContact CG2-CE2 3.94Å; C406-Y408 VanDerWaalsContact C-N 3.28Å; C406-Y408 PolarHBondContact O-N 3.14Å
409	T	83.6	Confident	90	Very high	88 Å²	88	43.5 Å²	43.5	54%	0.54	23%	0.227	S	C	.	.	S	Bend	trans	-154	164.7	171.2	-170.6	0	0	0	0	107.7	H405 C406 L411	H405-T409 VanDerWaalsContact O-O 3.04Å; C406-T409 WeakPolarHBondContact CA-O 3.35Å; T409-L411 HydrophobicContact CG2-CD2 3.69Å; T409-L411 HydrophobicContact CG2-CG 4.01Å; T409-L411 PolarHBondContact O-N 2.98Å
410	Q	85	Confident	89.8	Confident	50 Å²	50	43.4 Å²	43.4	23%	0.234	23%	0.228	C	C	.	.			trans	-79.7	104.7	176.6	173.4	61.4	-30.6	0	0	110.2	Y401 H405 D416	Y401-Q410 PolarHBondContact OH-OE1 2.76Å; Y401-Q410 VanDerWaalsContact OH-OE1 3.13Å; H405-Q410 PolarHBondContact O-OE1 3.39Å; H405-Q410 VanDerWaalsContact O-OE1 3.08Å; Q410-D416 WeakPolarHBondContact CG-OD1 3.37Å; Q410-D416 VanDerWaalsContact CG-OD2 3.24Å; Q410-D416 WeakPolarHBondContact CG-OD2 3.34Å; Q410-D416 PolarHBondContact NE2-OD1 3.17Å
411	L	90.9	Very high	89.7	Confident	25 Å²	25	43.3 Å²	43.3	13%	0.131	23%	0.227	C	C	.	.			trans	-91.5	-31.5	-176.8	-65.4	169.7	0	0	0	112.1	E320 E321 H405 T409 K413	E320-L411 HydrophobicContact CB-CB 4.25Å; E321-L411 HydrophobicContact CG-CD1 3.93Å; E321-L411 HydrophobicContact CG-CD2 3.95Å; H405-L411 PolarHBondContact O-N 2.98Å; T409-L411 HydrophobicContact CG2-CD2 3.69Å; T409-L411 HydrophobicContact CG2-CG 4.01Å; T409-L411 PolarHBondContact O-N 2.98Å; L411-K413 PolarHBondContact O-N 3.49Å
412	C	92.8	Very high	89.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.			trans	-82.5	79.2	-172.2	-176.1	0	0	0	0	112.5	C397 D398 Y401 H405 S414 A415 D416	C397-C412 HydrophobicContact CB-CB 4Å; C397-C412 WeakPolarHBondContact CB-SG 3.5Å; C397-C412 WeakPolarHBondContact SG-CA 3.15Å; C397-C412 WeakPolarHBondContact SG-CB 3.26Å; C397-C412 CovalentContact SG-SG 2.03Å; C397-C412 PolarHBondContact SG-SG 3.34Å; D398-C412 PolarHBondContact N-SG 2.96Å; D398-C412 VanDerWaalsContact N-SG 3.44Å; Y401-C412 HydrophobicContact CD2-CB 4Å; Y401-C412 HydrophobicContact CE2-CB 3.78Å; H405-C412 HydrophobicContact CB-CB 3.87Å; C412-S414 PolarHBondContact O-N 2.86Å; C412-S414 PolarHBondContact SG-OG 3.24Å; C412-A415 HydrophobicContact CB-CB 4.11Å; C412-A415 WeakPolarHBondContact O-CB 3.13Å; C412-A415 PolarHBondContact O-N 3.15Å; C412-D416 PolarHBondContact O-N 2.97Å
413	K	92.5	Very high	89.9	Confident	165 Å²	165	42.6 Å²	42.6	72%	0.717	23%	0.225	S	C	*	.	H	α-helix	trans	-54.4	-25.1	-179.4	-61	176.6	-175.3	175.9	0	114.4	L411 A417	L411-K413 PolarHBondContact O-N 3.49Å; K413-A417 PolarHBondContact O-N 3.44Å
414	S	92	Very high	90.2	Very high	14 Å²	14	43 Å²	43	10%	0.098	23%	0.226	C	C	.	.	H	α-helix	trans	-71	-37.4	175.1	62.1	0	0	0	0	112.8	C397 D398 C412 D416 A417 K418	C397-S414 PolarHBondContact SG-OG 3Å; D398-S414 PolarHBondContact N-OG 2.7Å; D398-S414 WeakPolarHBondContact OD1-CB 3.45Å; D398-S414 PolarHBondContact OD1-OG 3.2Å; C412-S414 PolarHBondContact O-N 2.86Å; C412-S414 PolarHBondContact SG-OG 3.24Å; S414-D416 VanDerWaalsContact C-N 3.35Å; S414-A417 PolarHBondContact O-N 2.83Å; S414-K418 WeakPolarHBondContact O-CB 3.33Å; S414-K418 PolarHBondContact O-N 2.71Å; S414-K418 VanDerWaalsContact O-N 3.09Å
415	A	91	Very high	90.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.8	-33.7	174.1	0	0	0	0	0	112.1	D398 Y401 C412 G419 I420	D398-A415 HydrophobicContact CB-CB 4.35Å; Y401-A415 HydrophobicContact CD2-CB 3.8Å; Y401-A415 HydrophobicContact CE2-CB 3.66Å; C412-A415 HydrophobicContact CB-CB 4.11Å; C412-A415 WeakPolarHBondContact O-CB 3.13Å; C412-A415 PolarHBondContact O-N 3.15Å; A415-G419 CarbonylContact O-C 3.4Å; A415-G419 WeakPolarHBondContact O-CA 3.49Å; A415-G419 PolarHBondContact O-N 2.95Å; A415-I420 HydrophobicContact CB-CG1 3.64Å
416	D	85.4	Confident	90.4	Very high	76 Å²	76	42 Å²	42	41%	0.406	22%	0.222	S	C	.	.	H	α-helix	trans	-66.7	-42.5	173.8	-65.6	-29.1	0	0	0	112.6	P134 Q410 C412 S414	P134-D416 WeakPolarHBondContact CB-OD1 3.05Å; P134-D416 WeakPolarHBondContact CG-OD1 3Å; Q410-D416 WeakPolarHBondContact CG-OD1 3.37Å; Q410-D416 VanDerWaalsContact CG-OD2 3.24Å; Q410-D416 WeakPolarHBondContact CG-OD2 3.34Å; Q410-D416 PolarHBondContact NE2-OD1 3.17Å; C412-D416 PolarHBondContact O-N 2.97Å; S414-D416 VanDerWaalsContact C-N 3.35Å
417	A	86.4	Confident	90.3	Very high	84 Å²	84	46.9 Å²	46.9	69%	0.694	24%	0.239	S	C	*	.	H	α-helix	trans	-76.7	-24.3	-176.7	0	0	0	0	0	113.7	K413 S414	K413-A417 PolarHBondContact O-N 3.44Å; S414-A417 PolarHBondContact O-N 2.83Å
418	K	87	Confident	90.7	Very high	129 Å²	129	48.4 Å²	48.4	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-130.6	-7.8	-168.1	-57.8	175.2	-173.6	170.4	0	114.9	S414	S414-K418 WeakPolarHBondContact O-CB 3.33Å; S414-K418 PolarHBondContact O-N 2.71Å; S414-K418 VanDerWaalsContact O-N 3.09Å
419	G	89.8	Confident	91.2	Very high	32 Å²	32	41.1 Å²	41.1	33%	0.33	22%	0.223	S	C	.	.			trans	76.7	169.1	-160.8	0	0	0	0	0	111.9	A415	A415-G419 CarbonylContact O-C 3.4Å; A415-G419 WeakPolarHBondContact O-CA 3.49Å; A415-G419 PolarHBondContact O-N 2.95Å
420	I	94.3	Very high	91.6	Very high	14 Å²	14	37 Å²	37	7%	0.072	20%	0.198	C	C	.	.			trans	-82.7	125.1	177.4	-68.1	156.9	0	0	0	108.5	W133 L294 Y401 A415 L423	W133-I420 HydrophobicContact CE3-CD1 3.66Å; W133-I420 HydrophobicContact CZ3-CB 4.5Å; W133-I420 HydrophobicContact CZ3-CD1 3.41Å; W133-I420 VanDerWaalsContact CZ3-CD1 3.41Å; L294-I420 HydrophobicContact CD1-CB 4.44Å; L294-I420 HydrophobicContact CD1-CG2 4.13Å; Y401-I420 HydrophobicContact CD1-CD1 3.56Å; Y401-I420 HydrophobicContact CD1-CG1 4.01Å; Y401-I420 HydrophobicContact CD1-CG2 4.2Å; Y401-I420 HydrophobicContact CD2-CD1 3.98Å; Y401-I420 HydrophobicContact CD2-CG1 3.72Å; Y401-I420 HydrophobicContact CE1-CD1 3.39Å; Y401-I420 HydrophobicContact CE1-CG1 4.21Å; Y401-I420 HydrophobicContact CE2-CD1 3.79Å; Y401-I420 HydrophobicContact CE2-CG1 3.89Å; Y401-I420 HydrophobicContact CG-CB 4.47Å; Y401-I420 HydrophobicContact CG-CD1 3.83Å; Y401-I420 HydrophobicContact CG-CG1 3.74Å; Y401-I420 HydrophobicContact CG-CG2 3.89Å; Y401-I420 VanDerWaalsContact CZ-CD1 3.48Å; A415-I420 HydrophobicContact CB-CG1 3.64Å; I420-L423 HydrophobicContact CG2-CB 4.44Å; I420-L423 HydrophobicContact CG2-CD1 4.39Å
421	S	95.8	Very high	91.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-86.4	-41.1	-177.1	-56.1	0	0	0	0	111.6	L294 R295 D398	L294-S421 PolarHBondContact N-O 3.37Å; R295-S421 WeakPolarHBondContact CD-OG 3.39Å; R295-S421 PolarHBondContact N-O 3.48Å; R295-S421 VanDerWaalsContact N-O 3.13Å; R295-S421 PolarHBondContact NH1-OG 3.17Å; D398-S421 WeakPolarHBondContact O-CA 3.24Å; D398-S421 VanDerWaalsContact O-CB 3.26Å; D398-S421 WeakPolarHBondContact O-CB 3.13Å; D398-S421 PolarHBondContact O-N 3.39Å; D398-S421 PolarHBondContact OD2-OG 3.04Å
422	I	97.8	Very high	91.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	128.7	178.4	-60.5	178.3	0	0	0	108.8	V291 F293 I300 V345 D398 W399 Y401	V291-I422 HydrophobicContact CG1-CG2 3.23Å; F293-I422 HydrophobicContact CD1-CD1 3.79Å; F293-I422 HydrophobicContact CD1-CG1 3.8Å; F293-I422 HydrophobicContact CE1-CD1 3.55Å; F293-I422 HydrophobicContact CE1-CG1 4.11Å; I300-I422 HydrophobicContact CD1-CD1 3.66Å; I300-I422 HydrophobicContact CG2-CD1 4.19Å; V345-I422 HydrophobicContact CG1-CD1 4.06Å; V345-I422 HydrophobicContact CG2-CG2 4.03Å; D398-I422 PolarHBondContact O-N 3.3Å; W399-I422 HydrophobicContact CE3-CD1 4.01Å; W399-I422 HydrophobicContact CE3-CG1 4.15Å; Y401-I422 VanDerWaalsContact CB-O 3.32Å; Y401-I422 WeakPolarHBondContact CB-O 3.49Å; Y401-I422 PolarHBondContact N-O 3.31Å
423	L	97.1	Very high	91.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.8	-178	-173.4	72.7	0	0	0	109.9	W133 V291 I292 L294 Y401 I420 F430 F438 T441	W133-L423 HydrophobicContact CH2-CD1 3.88Å; W133-L423 HydrophobicContact CH2-CD2 4.09Å; W133-L423 HydrophobicContact CZ3-CD1 4.38Å; V291-L423 CarbonylContact C-O 3.6Å; V291-L423 WeakPolarHBondContact CA-O 3.45Å; I292-L423 HydrophobicContact CB-CB 4.37Å; I292-L423 PolarHBondContact N-O 2.94Å; I292-L423 PolarHBondContact O-N 2.65Å; L294-L423 HydrophobicContact CD1-CB 4.07Å; L294-L423 HydrophobicContact CG-CB 4.43Å; Y401-L423 HydrophobicContact CD1-CD1 3.99Å; I420-L423 HydrophobicContact CG2-CB 4.44Å; I420-L423 HydrophobicContact CG2-CD1 4.39Å; L423-F430 HydrophobicContact CD2-CE1 3.83Å; L423-F430 HydrophobicContact CD2-CZ 4.27Å; L423-F430 HydrophobicContact CG-CE1 4.1Å; L423-F430 HydrophobicContact CG-CZ 4.29Å; L423-F438 HydrophobicContact CD1-CD1 3.69Å; L423-F438 HydrophobicContact CD1-CE1 3.29Å; L423-F438 HydrophobicContact CD1-CE2 4.19Å; L423-F438 HydrophobicContact CD1-CG 4.29Å; L423-F438 HydrophobicContact CD1-CZ 3.57Å; L423-F438 HydrophobicContact CD2-CD1 4.24Å; L423-F438 HydrophobicContact CG-CD1 3.84Å; L423-F438 HydrophobicContact CG-CE1 3.81Å; L423-T441 HydrophobicContact CD2-CG2 3.77Å
424	H	97.4	Very high	90.9	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.032	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	101.5	-176.1	179	-176.4	0	0	0	110.6	D290 V291 N342 N400 Y401 R402 S426	D290-H424 CarbonylContact O-C 3.56Å; D290-H424 WeakPolarHBondContact O-CA 3.17Å; D290-H424 PolarHBondContact O-CD2 3.19Å; D290-H424 IonicContact OD1-CD2 2.87Å; D290-H424 IonicContact OD1-NE2 3.3Å; V291-H424 HydrophobicContact CG2-CB 4.4Å; N342-H424 PolarHBondContact OD1-CE1 2.69Å; N400-H424 WeakPolarHBondContact OD1-CB 3.21Å; N400-H424 PolarHBondContact OD1-ND1 3.33Å; Y401-H424 PolarHBondContact O-N 2.9Å; R402-H424 HydrophobicContact CG-CB 3.88Å; H424-S426 PolarHBondContact CD2-N 3.01Å; H424-S426 WeakPolarHBondContact NE2-CB 3.04Å; H424-S426 PolarHBondContact O-N 2.87Å
425	G	95.1	Very high	90.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.			trans	-75	41.2	177.8	0	0	0	0	0	114.3	D290 Y429 F430	D290-G425 PolarHBondContact O-N 3.23Å; G425-Y429 PolarHBondContact O-N 2.96Å; G425-F430 VanDerWaalsContact N-CZ 3.29Å
426	S	91.4	Very high	90.5	Very high	10 Å²	10	46.3 Å²	46.3	7%	0.07	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-45.8	162.9	173.4	65.1	0	0	0	0	112.5	H424 S428 Y429	H424-S426 PolarHBondContact CD2-N 3.01Å; H424-S426 WeakPolarHBondContact NE2-CB 3.04Å; H424-S426 PolarHBondContact O-N 2.87Å; S426-S428 PolarHBondContact O-N 2.86Å; S426-Y429 WeakPolarHBondContact O-CD2 3.41Å; S426-Y429 PolarHBondContact O-N 3.27Å
427	R	88.3	Confident	90.7	Very high	112 Å²	112	43.5 Å²	43.5	42%	0.423	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	47.8	29.2	-178	-53.8	-170.9	-171.3	86.2	-17.3	114.3	D404 Y429	D404-R427 VanDerWaalsContact CG-NH1 3.28Å; D404-R427 IonicContact OD1-CZ 2.8Å; D404-R427 VanDerWaalsContact OD1-CZ 3.3Å; D404-R427 IonicContact OD1-NH1 2.8Å; D404-R427 PolarHBondContact OD1-NH1 2.79Å; D404-R427 IonicContact OD1-NH2 3.54Å; D404-R427 PolarHBondContact OD1-NH2 3.1Å; D404-R427 IonicContact OD2-NH1 3.47Å; D404-R427 PolarHBondContact OD2-NH1 2.98Å; R427-Y429 VanDerWaalsContact C-N 3.33Å; R427-Y429 HydrophobicContact CB-CD2 3.99Å; R427-Y429 HydrophobicContact CB-CE2 4Å; R427-Y429 PolarHBondContact O-N 3.04Å
428	S	90.8	Very high	91	Very high	49 Å²	49	39.6 Å²	39.6	34%	0.343	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	65.1	22.7	-178.2	-50.4	0	0	0	0	115.8	S426 F430 K431 L432	S426-S428 PolarHBondContact O-N 2.86Å; S428-F430 PolarHBondContact O-N 3.48Å; S428-K431 PolarHBondContact O-N 2.97Å; S428-L432 PolarHBondContact O-N 3.42Å; S428-L432 VanDerWaalsContact O-N 3.09Å
429	Y	90.6	Very high	91.3	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.027	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-6.8	-179.8	-82.6	-74.6	0	0	0	115.2	P403 M407 G425 S426 R427 K434 Q435	P403-Y429 HydrophobicContact CB-CD2 4.04Å; P403-Y429 HydrophobicContact CB-CE2 4.1Å; P403-Y429 HydrophobicContact CB-CG 4.33Å; P403-Y429 HydrophobicContact CG-CD1 4.32Å; P403-Y429 HydrophobicContact CG-CD2 3.55Å; P403-Y429 HydrophobicContact CG-CE2 4.13Å; P403-Y429 HydrophobicContact CG-CG 3.68Å; M407-Y429 HydrophobicContact CE-CE2 4.47Å; M407-Y429 VanDerWaalsContact CE-OH 3.22Å; M407-Y429 WeakPolarHBondContact CE-OH 3.24Å; G425-Y429 PolarHBondContact O-N 2.96Å; S426-Y429 WeakPolarHBondContact O-CD2 3.41Å; S426-Y429 PolarHBondContact O-N 3.27Å; R427-Y429 VanDerWaalsContact C-N 3.33Å; R427-Y429 HydrophobicContact CB-CD2 3.99Å; R427-Y429 HydrophobicContact CB-CE2 4Å; R427-Y429 PolarHBondContact O-N 3.04Å; Y429-K434 HydrophobicContact CD1-CB 3.9Å; Y429-K434 HydrophobicContact CE1-CB 3.47Å; Y429-K434 VanDerWaalsContact CE1-CB 3.47Å; Y429-K434 HydrophobicContact CE1-CD 4.03Å; Y429-K434 HydrophobicContact CE1-CG 4.41Å; Y429-Q435 HydrophobicContact CD1-CB 3.75Å; Y429-Q435 HydrophobicContact CD1-CG 3.57Å; Y429-Q435 HydrophobicContact CE1-CB 4.29Å; Y429-Q435 HydrophobicContact CE1-CG 3.63Å; Y429-Q435 HydrophobicContact CG-CG 4.46Å
430	F	92.4	Very high	91.4	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.013	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.2	166.1	-69.3	-26.3	0	0	0	114.5	D290 I292 L423 G425 S428 F438 Y442	D290-F430 VanDerWaalsContact C-CE2 3.47Å; D290-F430 HydrophobicContact CB-CD2 4.28Å; D290-F430 HydrophobicContact CB-CE2 4.44Å; D290-F430 WeakPolarHBondContact O-CE2 3.47Å; I292-F430 HydrophobicContact CB-CZ 4.14Å; I292-F430 HydrophobicContact CG1-CE1 4.42Å; I292-F430 HydrophobicContact CG1-CE2 3.63Å; I292-F430 HydrophobicContact CG1-CZ 3.52Å; L423-F430 HydrophobicContact CD2-CE1 3.83Å; L423-F430 HydrophobicContact CD2-CZ 4.27Å; L423-F430 HydrophobicContact CG-CE1 4.1Å; L423-F430 HydrophobicContact CG-CZ 4.29Å; G425-F430 VanDerWaalsContact N-CZ 3.29Å; S428-F430 PolarHBondContact O-N 3.48Å; F430-F438 HydrophobicContact CD1-CB 4.03Å; F430-F438 HydrophobicContact CD1-CD1 4.43Å; F430-F438 WeakPolarHBondContact CD1-O 3.43Å; F430-F438 HydrophobicContact CE1-CB 4.21Å; F430-F438 AromaticContact CE1-CD1 3.95Å; F430-F438 HydrophobicContact CE1-CD1 3.95Å; F430-Y442 HydrophobicContact CB-CD1 4.11Å; F430-Y442 HydrophobicContact CB-CD2 3.92Å; F430-Y442 HydrophobicContact CB-CE2 4.47Å; F430-Y442 HydrophobicContact CB-CG 3.72Å; F430-Y442 HydrophobicContact CD1-CD2 4.38Å; F430-Y442 HydrophobicContact CD1-CG 4.25Å; F430-Y442 AromaticContact CD2-CD2 3.34Å; F430-Y442 HydrophobicContact CD2-CD2 3.34Å; F430-Y442 AromaticContact CD2-CE2 3.94Å; F430-Y442 HydrophobicContact CD2-CE2 3.94Å; F430-Y442 AromaticContact CD2-CG 3.95Å; F430-Y442 HydrophobicContact CD2-CG 3.95Å; F430-Y442 AromaticContact CE2-CD2 3.84Å; F430-Y442 HydrophobicContact CE2-CD2 3.84Å; F430-Y442 AromaticContact CG-CD2 3.66Å; F430-Y442 HydrophobicContact CG-CD2 3.66Å; F430-Y442 HydrophobicContact CG-CE2 4.47Å; F430-Y442 AromaticContact CG-CG 3.75Å; F430-Y442 HydrophobicContact CG-CG 3.75Å
431	K	89.5	Confident	91.3	Very high	102 Å²	102	36 Å²	36	44%	0.443	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-37.2	-179.4	-60.3	-179.2	-175.4	171.7	0	112.1	E197 S428	E197-K431 WeakPolarHBondContact OE1-CE 3.43Å; E197-K431 IonicContact OE1-NZ 2.71Å; E197-K431 PolarHBondContact OE1-NZ 3.04Å; E197-K431 WeakPolarHBondContact OE2-CE 3.18Å; E197-K431 IonicContact OE2-NZ 3.16Å; E197-K431 PolarHBondContact OE2-NZ 2.92Å; S428-K431 PolarHBondContact O-N 2.97Å
432	L	88.6	Confident	91.2	Very high	74 Å²	74	36.7 Å²	36.7	39%	0.387	18%	0.184	S	C	.	.	S	Bend	trans	-79.9	134.9	-178.9	-60	176.2	0	0	0	111.5	S428 K434	S428-L432 PolarHBondContact O-N 3.42Å; S428-L432 VanDerWaalsContact O-N 3.09Å; L432-K434 HydrophobicContact CB-CB 4.37Å; L432-K434 HydrophobicContact CB-CG 4.34Å; L432-K434 HydrophobicContact CD1-CD 4.37Å; L432-K434 PolarHBondContact O-N 2.03Å
433	D	85	Confident	91.1	Very high	113 Å²	113	40.3 Å²	40.3	60%	0.604	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	10.9	172.4	-60.1	-79.6	0	0	0	114.1	Q435 K439	D433-Q435 VanDerWaalsContact C-N 3.26Å; D433-Q435 PolarHBondContact O-N 3.4Å; D433-K439 WeakPolarHBondContact OD1-CD 3.47Å; D433-K439 IonicContact OD1-NZ 2.64Å; D433-K439 PolarHBondContact OD1-NZ 3.24Å; D433-K439 IonicContact OD2-NZ 3.48Å; D433-K439 PolarHBondContact OD2-NZ 2.82Å
434	K	83.9	Confident	90.9	Very high	100 Å²	100	41.9 Å²	41.9	44%	0.435	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.4	174	-70	-168.1	172.9	-168.9	0	113.8	E123 Y429 L432	E123-K434 IonicContact OE2-NZ 3.32Å; E123-K434 PolarHBondContact OE2-NZ 2.83Å; Y429-K434 HydrophobicContact CD1-CB 3.9Å; Y429-K434 HydrophobicContact CE1-CB 3.47Å; Y429-K434 VanDerWaalsContact CE1-CB 3.47Å; Y429-K434 HydrophobicContact CE1-CD 4.03Å; Y429-K434 HydrophobicContact CE1-CG 4.41Å; L432-K434 HydrophobicContact CB-CB 4.37Å; L432-K434 HydrophobicContact CB-CG 4.34Å; L432-K434 HydrophobicContact CD1-CD 4.37Å; L432-K434 PolarHBondContact O-N 2.03Å
435	Q	85.9	Confident	90.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.208	C	C	.	.			trans	-147.1	84.2	173.9	-76.1	-60.2	-31.9	0	0	110.3	A129 C131 P403 Y429 D433 A437 F438 K439	A129-Q435 PolarHBondContact O-NE2 2.96Å; C131-Q435 PolarHBondContact SG-OE1 3.34Å; C131-Q435 VanDerWaalsContact SG-OE1 3.34Å; P403-Q435 HydrophobicContact CB-CG 4.19Å; Y429-Q435 HydrophobicContact CD1-CB 3.75Å; Y429-Q435 HydrophobicContact CD1-CG 3.57Å; Y429-Q435 HydrophobicContact CE1-CB 4.29Å; Y429-Q435 HydrophobicContact CE1-CG 3.63Å; Y429-Q435 HydrophobicContact CG-CG 4.46Å; D433-Q435 VanDerWaalsContact C-N 3.26Å; D433-Q435 PolarHBondContact O-N 3.4Å; Q435-A437 PolarHBondContact O-N 3.28Å; Q435-A437 VanDerWaalsContact O-N 3.1Å; Q435-F438 HydrophobicContact CB-CB 4.26Å; Q435-F438 HydrophobicContact CB-CD2 4.05Å; Q435-F438 HydrophobicContact CB-CG 4.44Å; Q435-F438 PolarHBondContact O-N 3.41Å; Q435-K439 PolarHBondContact O-N 3.44Å
436	P	88.4	Confident	90.5	Very high	58 Å²	58	45.3 Å²	45.3	38%	0.377	22%	0.224	S	C	.	.	H	α-helix	trans	-55.1	-33.5	-174.7	-27.2	35.8	0	0	0	113.8	D130 F438 L440	D130-P436 VanDerWaalsContact OD1-CD 3.22Å; D130-P436 WeakPolarHBondContact OD1-CD 3.22Å; P436-F438 PolarHBondContact O-N 3.5Å; P436-L440 WeakPolarHBondContact O-CB 3.22Å; P436-L440 PolarHBondContact O-N 3.08Å
437	A	89.2	Confident	90.5	Very high	18 Å²	18	51.2 Å²	51.2	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-56.5	-44.4	174.8	0	0	0	0	0	113.4	W133 Q435 T441	W133-A437 HydrophobicContact CZ2-CB 4Å; Q435-A437 PolarHBondContact O-N 3.28Å; Q435-A437 VanDerWaalsContact O-N 3.1Å; A437-T441 WeakPolarHBondContact O-CB 3.37Å; A437-T441 PolarHBondContact O-N 3.17Å; A437-T441 PolarHBondContact O-OG1 3.49Å
438	F	92.2	Very high	90.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-71.5	-49.8	-179.2	-82.6	-110	0	0	0	110.6	C131 Y401 P403 L423 F430 Q435 P436 T441 Y442	C131-F438 HydrophobicContact CB-CE2 4.26Å; Y401-F438 AromaticContact CD1-CZ 3.79Å; Y401-F438 HydrophobicContact CD1-CZ 3.79Å; Y401-F438 HydrophobicContact CE1-CE2 4.26Å; Y401-F438 AromaticContact CE1-CZ 3.85Å; Y401-F438 HydrophobicContact CE1-CZ 3.85Å; P403-F438 HydrophobicContact CB-CE2 4.35Å; P403-F438 HydrophobicContact CB-CZ 4.25Å; P403-F438 VanDerWaalsContact CD-CE1 3.45Å; P403-F438 HydrophobicContact CG-CD1 3.92Å; P403-F438 HydrophobicContact CG-CD2 4.2Å; P403-F438 HydrophobicContact CG-CE1 3.59Å; P403-F438 HydrophobicContact CG-CE2 3.91Å; P403-F438 HydrophobicContact CG-CG 4.22Å; P403-F438 HydrophobicContact CG-CZ 3.59Å; L423-F438 HydrophobicContact CD1-CD1 3.69Å; L423-F438 HydrophobicContact CD1-CE1 3.29Å; L423-F438 HydrophobicContact CD1-CE2 4.19Å; L423-F438 HydrophobicContact CD1-CG 4.29Å; L423-F438 HydrophobicContact CD1-CZ 3.57Å; L423-F438 HydrophobicContact CD2-CD1 4.24Å; L423-F438 HydrophobicContact CG-CD1 3.84Å; L423-F438 HydrophobicContact CG-CE1 3.81Å; F430-F438 HydrophobicContact CD1-CB 4.03Å; F430-F438 HydrophobicContact CD1-CD1 4.43Å; F430-F438 WeakPolarHBondContact CD1-O 3.43Å; F430-F438 HydrophobicContact CE1-CB 4.21Å; F430-F438 AromaticContact CE1-CD1 3.95Å; F430-F438 HydrophobicContact CE1-CD1 3.95Å; Q435-F438 HydrophobicContact CB-CB 4.26Å; Q435-F438 HydrophobicContact CB-CD2 4.05Å; Q435-F438 HydrophobicContact CB-CG 4.44Å; Q435-F438 PolarHBondContact O-N 3.41Å; P436-F438 PolarHBondContact O-N 3.5Å; F438-T441 PolarHBondContact O-N 3.09Å; F438-Y442 PolarHBondContact O-N 3.14Å; F438-Y442 VanDerWaalsContact O-N 3.08Å
439	K	92.9	Very high	90.2	Very high	36 Å²	36	50 Å²	50	16%	0.157	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-52.1	177.4	177.7	169.8	177.5	178.2	0	112.4	D433 Q435 T441 Y442 E443	D433-K439 WeakPolarHBondContact OD1-CD 3.47Å; D433-K439 IonicContact OD1-NZ 2.64Å; D433-K439 PolarHBondContact OD1-NZ 3.24Å; D433-K439 IonicContact OD2-NZ 3.48Å; D433-K439 PolarHBondContact OD2-NZ 2.82Å; Q435-K439 PolarHBondContact O-N 3.44Å; K439-T441 VanDerWaalsContact C-N 3.31Å; K439-T441 PolarHBondContact O-N 3.09Å; K439-Y442 WeakPolarHBondContact O-CB 3.49Å; K439-Y442 PolarHBondContact O-N 2.8Å; K439-Y442 VanDerWaalsContact O-N 3.14Å; K439-E443 WeakPolarHBondContact CE-OE1 3.33Å; K439-E443 HydrophobicContact CG-CG 4.28Å; K439-E443 WeakPolarHBondContact O-CG 3.17Å; K439-E443 PolarHBondContact O-N 3.14Å
440	L	92.8	Very high	90.1	Very high	62 Å²	62	52.2 Å²	52.2	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-57.7	-42.1	178.8	178.5	61.7	0	0	0	112.2	W77 P436 E443 I444	W77-L440 HydrophobicContact CH2-CD1 4.43Å; W77-L440 HydrophobicContact CH2-CD2 4.15Å; W77-L440 HydrophobicContact CZ3-CD2 4.23Å; P436-L440 WeakPolarHBondContact O-CB 3.22Å; P436-L440 PolarHBondContact O-N 3.08Å; L440-E443 PolarHBondContact O-N 3.43Å; L440-I444 HydrophobicContact CD1-CD1 3.78Å; L440-I444 HydrophobicContact CD1-CG1 4.14Å; L440-I444 HydrophobicContact CG-CD1 3.8Å; L440-I444 WeakPolarHBondContact O-CB 3.42Å; L440-I444 WeakPolarHBondContact O-CD1 3.17Å; L440-I444 WeakPolarHBondContact O-CG1 3.24Å; L440-I444 PolarHBondContact O-N 2.92Å
441	T	91.9	Very high	90	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-41.6	178.6	-55.3	0	0	0	0	111.5	L78 W133 L294 L423 A437 F438 K439 I445	L78-T441 HydrophobicContact CD1-CG2 4.29Å; W133-T441 VanDerWaalsContact CZ2-OG1 3.29Å; W133-T441 WeakPolarHBondContact CZ2-OG1 3Å; L294-T441 HydrophobicContact CD2-CG2 3.93Å; L423-T441 HydrophobicContact CD2-CG2 3.77Å; A437-T441 WeakPolarHBondContact O-CB 3.37Å; A437-T441 PolarHBondContact O-N 3.17Å; A437-T441 PolarHBondContact O-OG1 3.49Å; F438-T441 PolarHBondContact O-N 3.09Å; K439-T441 VanDerWaalsContact C-N 3.31Å; K439-T441 PolarHBondContact O-N 3.09Å; T441-I445 WeakPolarHBondContact O-CG1 3.35Å; T441-I445 PolarHBondContact O-N 3.28Å
442	Y	94.4	Very high	90	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.055	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-46.3	175.1	173.1	-89	0	0	0	112.4	D196 E197 T200 I292 F430 F438 K439 I444 I445 K446	D196-Y442 PolarHBondContact O-OH 3.3Å; E197-Y442 WeakPolarHBondContact CA-OH 3.43Å; E197-Y442 HydrophobicContact CG-CE2 4.26Å; E197-Y442 WeakPolarHBondContact CG-OH 3.05Å; E197-Y442 PolarHBondContact N-OH 2.87Å; T200-Y442 HydrophobicContact CG2-CD2 3.83Å; T200-Y442 HydrophobicContact CG2-CE2 3.64Å; T200-Y442 HydrophobicContact CG2-CG 4.43Å; T200-Y442 PolarHBondContact OG1-OH 3.46Å; I292-Y442 HydrophobicContact CD1-CD2 4Å; I292-Y442 HydrophobicContact CG1-CD2 4.18Å; F430-Y442 HydrophobicContact CB-CD1 4.11Å; F430-Y442 HydrophobicContact CB-CD2 3.92Å; F430-Y442 HydrophobicContact CB-CE2 4.47Å; F430-Y442 HydrophobicContact CB-CG 3.72Å; F430-Y442 HydrophobicContact CD1-CD2 4.38Å; F430-Y442 HydrophobicContact CD1-CG 4.25Å; F430-Y442 AromaticContact CD2-CD2 3.34Å; F430-Y442 HydrophobicContact CD2-CD2 3.34Å; F430-Y442 AromaticContact CD2-CE2 3.94Å; F430-Y442 HydrophobicContact CD2-CE2 3.94Å; F430-Y442 AromaticContact CD2-CG 3.95Å; F430-Y442 HydrophobicContact CD2-CG 3.95Å; F430-Y442 AromaticContact CE2-CD2 3.84Å; F430-Y442 HydrophobicContact CE2-CD2 3.84Å; F430-Y442 AromaticContact CG-CD2 3.66Å; F430-Y442 HydrophobicContact CG-CD2 3.66Å; F430-Y442 HydrophobicContact CG-CE2 4.47Å; F430-Y442 AromaticContact CG-CG 3.75Å; F430-Y442 HydrophobicContact CG-CG 3.75Å; F438-Y442 PolarHBondContact O-N 3.14Å; F438-Y442 VanDerWaalsContact O-N 3.08Å; K439-Y442 WeakPolarHBondContact O-CB 3.49Å; K439-Y442 PolarHBondContact O-N 2.8Å; K439-Y442 VanDerWaalsContact O-N 3.14Å; Y442-I444 VanDerWaalsContact C-N 3.33Å; Y442-I444 PolarHBondContact O-N 2.86Å; Y442-I445 PolarHBondContact O-N 3.32Å; Y442-K446 HydrophobicContact CE1-CD 4.31Å; Y442-K446 WeakPolarHBondContact O-CB 3.05Å; Y442-K446 PolarHBondContact O-N 3.34Å
443	E	94.4	Very high	90.1	Very high	77 Å²	77	50.8 Å²	50.8	36%	0.36	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-39	179.2	-72.6	174.1	160.3	0	0	112.1	K439 L440 K446 N447	K439-E443 WeakPolarHBondContact CE-OE1 3.33Å; K439-E443 HydrophobicContact CG-CG 4.28Å; K439-E443 WeakPolarHBondContact O-CG 3.17Å; K439-E443 PolarHBondContact O-N 3.14Å; L440-E443 PolarHBondContact O-N 3.43Å; E443-K446 PolarHBondContact O-N 2.81Å; E443-N447 WeakPolarHBondContact O-CB 3.3Å; E443-N447 VanDerWaalsContact O-CG 3.23Å; E443-N447 PolarHBondContact O-N 2.87Å; E443-N447 VanDerWaalsContact O-N 3.09Å; E443-N447 PolarHBondContact O-ND2 2.74Å; E443-N447 VanDerWaalsContact O-ND2 3.07Å
444	I	93.2	Very high	90.5	Very high	33 Å²	33	46.7 Å²	46.7	17%	0.169	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-46.3	174.4	-71.8	167.5	0	0	0	111	L74 W77 L440 Y442 K446 N447 V448	L74-I444 HydrophobicContact CD1-CG2 3.57Å; L74-I444 HydrophobicContact CD2-CG2 3.9Å; L74-I444 HydrophobicContact CG-CG2 3.65Å; W77-I444 HydrophobicContact CE3-CD1 3.7Å; W77-I444 HydrophobicContact CH2-CD1 3.75Å; W77-I444 HydrophobicContact CZ3-CD1 3.24Å; L440-I444 HydrophobicContact CD1-CD1 3.78Å; L440-I444 HydrophobicContact CD1-CG1 4.14Å; L440-I444 HydrophobicContact CG-CD1 3.8Å; L440-I444 WeakPolarHBondContact O-CB 3.42Å; L440-I444 WeakPolarHBondContact O-CD1 3.17Å; L440-I444 WeakPolarHBondContact O-CG1 3.24Å; L440-I444 PolarHBondContact O-N 2.92Å; Y442-I444 VanDerWaalsContact C-N 3.33Å; Y442-I444 PolarHBondContact O-N 2.86Å; I444-K446 VanDerWaalsContact C-N 3.31Å; I444-K446 PolarHBondContact O-N 3.42Å; I444-N447 PolarHBondContact O-N 3.03Å; I444-V448 VanDerWaalsContact O-CG2 3.31Å; I444-V448 WeakPolarHBondContact O-CG2 3.39Å; I444-V448 PolarHBondContact O-N 2.98Å
445	I	92.4	Very high	90.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-41.4	176	-61.6	-84.5	0	0	0	110.6	L74 T200 K203 M207 F208 I292 T441 Y442 N447	L74-I445 HydrophobicContact CD2-CD1 3.32Å; L74-I445 HydrophobicContact CD2-CG1 4.02Å; T200-I445 HydrophobicContact CG2-CB 3.9Å; T200-I445 HydrophobicContact CG2-CG2 3.55Å; T200-I445 WeakPolarHBondContact O-CG2 3.37Å; K203-I445 WeakPolarHBondContact CD-O 3.34Å; M207-I445 HydrophobicContact CE-CD1 3.64Å; M207-I445 HydrophobicContact CE-CG2 4.15Å; F208-I445 HydrophobicContact CE2-CD1 3.58Å; F208-I445 HydrophobicContact CZ-CD1 4.07Å; I292-I445 HydrophobicContact CD1-CB 4.46Å; I292-I445 HydrophobicContact CD1-CG2 4.18Å; I292-I445 HydrophobicContact CG2-CD1 4.08Å; I292-I445 HydrophobicContact CG2-CG1 3.87Å; T441-I445 WeakPolarHBondContact O-CG1 3.35Å; T441-I445 PolarHBondContact O-N 3.28Å; Y442-I445 PolarHBondContact O-N 3.32Å; I445-N447 VanDerWaalsContact C-N 3.33Å; I445-N447 PolarHBondContact O-N 2.73Å
446	K	93.2	Very high	91.3	Very high	78 Å²	78	46.1 Å²	46.1	34%	0.339	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-42.4	-177.5	-171.5	-177.1	-174.6	-171.9	0	111.9	D196 T200 K203 Y442 E443 I444	D196-K446 WeakPolarHBondContact OD2-CE 3.25Å; D196-K446 IonicContact OD2-NZ 3.5Å; D196-K446 PolarHBondContact OD2-NZ 3.39Å; T200-K446 HydrophobicContact CG2-CB 3.93Å; K203-K446 PolarHBondContact NZ-O 2.87Å; Y442-K446 HydrophobicContact CE1-CD 4.31Å; Y442-K446 WeakPolarHBondContact O-CB 3.05Å; Y442-K446 PolarHBondContact O-N 3.34Å; E443-K446 PolarHBondContact O-N 2.81Å; I444-K446 VanDerWaalsContact C-N 3.31Å; I444-K446 PolarHBondContact O-N 3.42Å
447	N	91	Very high	91.6	Very high	134 Å²	134	45.1 Å²	45.1	72%	0.717	23%	0.234	S	C	*	.	H	α-helix	trans	-92.5	-1.7	-169.3	-62.6	-27.6	0	0	0	114.8	E443 I444 I445	E443-N447 WeakPolarHBondContact O-CB 3.3Å; E443-N447 VanDerWaalsContact O-CG 3.23Å; E443-N447 PolarHBondContact O-N 2.87Å; E443-N447 VanDerWaalsContact O-N 3.09Å; E443-N447 PolarHBondContact O-ND2 2.74Å; E443-N447 VanDerWaalsContact O-ND2 3.07Å; I444-N447 PolarHBondContact O-N 3.03Å; I445-N447 VanDerWaalsContact C-N 3.33Å; I445-N447 PolarHBondContact O-N 2.73Å
448	V	81.2	Confident	91.8	Very high	85 Å²	85	47.5 Å²	47.5	52%	0.515	24%	0.242	S	C	.	.			trans	-90.9	0	173.2	161.6	0	0	0	0	112	P70 L74 K203 M207 I444	P70-V448 HydrophobicContact CB-CG1 3.35Å; P70-V448 HydrophobicContact CG-CG1 4.1Å; L74-V448 HydrophobicContact CD1-CG2 4Å; K203-V448 WeakPolarHBondContact CD-OXT 3.24Å; K203-V448 WeakPolarHBondContact CE-OXT 3.34Å; K203-V448 PolarHBondContact NZ-OXT 3.5Å; M207-V448 HydrophobicContact CE-CG1 4.4Å; M207-V448 HydrophobicContact SD-CG1 3.86Å; I444-V448 VanDerWaalsContact O-CG2 3.31Å; I444-V448 WeakPolarHBondContact O-CG2 3.39Å; I444-V448 PolarHBondContact O-N 2.98Å

Retrieved 448 of 448 residues in 119.1 ms (Link to these results)

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