X2JE93_DROME Loading...

Kelch-like protein diablo

Probable substrate-specific adapter of an E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. May have a role in synapse differentiation and growth.

AlphaFold DB , UniProt , Accession X2JE93, Species DROME (Drosophila melanogaster, Fruit fly), Gene BcDNA:LP02641, Length 651 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	30.5	Very low	240 Å²	240	139.3 Å²	139.3	100%	1.182	80%	0.797	S	S	*	*				0	145.4	0	-78.2	-179.5	-173.4	0	0	108.1
2	S	29.3	Very low	30.4	Very low	122 Å²	122	146.2 Å²	146.2	85%	0.853	80%	0.801	S	S	*	*			trans	64.4	104.2	169.2	55.7	0	0	0	0	119.7
3	A	31	Very low	30.1	Very low	95 Å²	95	145.5 Å²	145.5	79%	0.785	80%	0.796	S	S	*	*				170.5	130.2	121.7	0	0	0	0	0	105.4
4	V	28.5	Very low	29.7	Very low	146 Å²	146	143.9 Å²	143.9	89%	0.885	80%	0.8	S	S	*	*				-157.5	149.1	74.4	167.4	0	0	0	0	109.8
5	N	30	Very low	29.6	Very low	131 Å²	131	143.8 Å²	143.8	70%	0.701	81%	0.805	S	S	*	*			trans	-107.5	150.1	-176.6	-145.9	2	0	0	0	110.5
6	Q	30.5	Very low	29.5	Very low	150 Å²	150	139.7 Å²	139.7	70%	0.701	80%	0.795	S	S	*	*			trans	75	109.5	154.6	-69.7	-179.2	3.2	0	0	119
7	K	29.6	Very low	29.3	Very low	167 Å²	167	137.5 Å²	137.5	73%	0.726	79%	0.79	S	S	*	*				84.5	133.2	88.9	-84.5	-178.3	155.7	-142.1	0	110.9
8	E	27.6	Very low	29.1	Very low	158 Å²	158	136.6 Å²	136.6	74%	0.738	79%	0.788	S	S	*	*			cis	-158.8	158.4	32.6	-121.5	154.2	-153.6	0	0	111.7
9	S	26.6	Very low	29.1	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	79%	0.79	S	S	*	*			trans	-77	-165.2	-171.3	51.3	0	0	0	0	116.6
10	P	43.2	Very low	28.9	Very low	117 Å²	117	132.3 Å²	132.3	76%	0.76	79%	0.786	S	S	*	*			cis	-122.8	-178.2	-34	23.6	0.9	0	0	0	109.6
11	S	26	Very low	28.9	Very low	104 Å²	104	135.4 Å²	135.4	73%	0.727	79%	0.792	S	S	*	*				-179.7	146.7	50.3	57.2	0	0	0	0	111.7
12	R	28.4	Very low	28.7	Very low	222 Å²	222	131.1 Å²	131.1	84%	0.838	77%	0.772	S	S	*	*			trans	74.2	127.5	145.9	-83.1	-174.5	173.3	172.7	-3	122.5
13	D	26.5	Very low	28.5	Very low	137 Å²	137	131 Å²	131	73%	0.733	77%	0.771	S	S	*	*			trans	76.5	97.4	148.4	-56.6	-19.1	0	0	0	118.7
14	S	25.2	Very low	28.6	Very low	123 Å²	123	134.8 Å²	134.8	86%	0.86	78%	0.775	S	S	*	*			trans	-173.9	124	139.2	13.7	0	0	0	0	112.6
15	T	27.6	Very low	28.5	Very low	143 Å²	143	136.6 Å²	136.6	88%	0.877	78%	0.779	S	S	*	*			trans	-150.2	139.6	146.1	53	0	0	0	0	106.6
16	A	27.7	Very low	28.5	Very low	78 Å²	78	134.3 Å²	134.3	65%	0.645	78%	0.778	S	S	*	*			cis	-172.3	140.6	-16.3	0	0	0	0	0	104.4
17	S	26.7	Very low	28.3	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	78%	0.78	S	S	*	*			trans	51.8	139.3	141.4	68.2	0	0	0	0	120.2
18	T	26.6	Very low	28.2	Very low	121 Å²	121	131.7 Å²	131.7	74%	0.742	78%	0.777	S	S	*	*				-173.1	152.4	51.9	-27.1	0	0	0	0	110.4
19	S	28.3	Very low	28.2	Very low	119 Å²	119	129.7 Å²	129.7	83%	0.832	78%	0.776	S	S	*	*			trans	64.2	126.2	157.3	66.8	0	0	0	0	118.1
20	G	26	Very low	28.3	Very low	68 Å²	68	132.4 Å²	132.4	70%	0.701	78%	0.782	S	S	*	*			cis	129.3	106.3	13.7	0	0	0	0	0	109.9
21	H	28.7	Very low	27.7	Very low	198 Å²	198	134.9 Å²	134.9	92%	0.917	78%	0.783	S	S	*	*			trans	78.4	117.2	153	-82	-77.8	0	0	0	122
22	I	29	Very low	28	Very low	150 Å²	150	134.8 Å²	134.8	77%	0.769	78%	0.782	S	S	*	*			trans	-76.1	143.9	160.1	-66.9	160.1	0	0	0	109.6
23	S	25.4	Very low	28.1	Very low	119 Å²	119	131 Å²	131	83%	0.832	78%	0.778	S	S	*	*			trans	-145.8	118.5	142.6	66.1	0	0	0	0	109.4
24	M	31.8	Very low	28.9	Very low	175 Å²	175	129.5 Å²	129.5	86%	0.862	78%	0.778	S	S	*	*			trans	-79	150.2	159.9	-68	-161.2	-155.9	0	0	109.4
25	L	27.4	Very low	29.3	Very low	184 Å²	184	134.5 Å²	134.5	96%	0.963	78%	0.778	S	S	*	*			trans	-166	149.8	135.4	-98.5	164.1	0	0	0	110.2
26	A	30.3	Very low	29.9	Very low	84 Å²	84	134.2 Å²	134.2	69%	0.694	77%	0.771	S	S	*	*			trans	-82.3	162.8	-157.6	0	0	0	0	0	116.2
27	D	26.3	Very low	30.2	Very low	139 Å²	139	140.9 Å²	140.9	74%	0.743	78%	0.781	S	S	*	*				-178.5	140.4	116.1	-112.7	-8.9	0	0	0	115.7
28	N	26.3	Very low	30.9	Very low	122 Å²	122	141.3 Å²	141.3	65%	0.652	78%	0.784	S	S	*	*			trans	59.3	116.3	139.9	-70.7	-32	0	0	0	125.1
29	T	29.3	Very low	31.5	Very low	117 Å²	117	143.9 Å²	143.9	72%	0.718	79%	0.793	S	S	*	*			trans	46.5	109.4	130.5	60.8	0	0	0	0	120.5
30	L	27.5	Very low	31.9	Very low	159 Å²	159	141.9 Å²	141.9	83%	0.832	79%	0.791	S	S	*	*				-174.6	153.5	106.1	-124.6	92.9	0	0	0	110.9
31	E	30.6	Very low	32.3	Very low	168 Å²	168	144.7 Å²	144.7	79%	0.785	80%	0.8	S	S	*	*			trans	-23	142.8	176.4	-71.5	174.2	141	0	0	122
32	S	32.8	Very low	33.1	Very low	102 Å²	102	142.6 Å²	142.6	71%	0.713	79%	0.794	S	S	*	*			trans	87.4	141.6	135	82.5	0	0	0	0	119.5
33	L	29.6	Very low	33.8	Very low	143 Å²	143	142.6 Å²	142.6	75%	0.749	80%	0.796	S	S	*	*			trans	86.5	92.1	160.4	-58.8	160.1	0	0	0	115.9
34	S	44.9	Very low	34.5	Very low	105 Å²	105	142.2 Å²	142.2	73%	0.734	79%	0.793	S	S	*	*				36	98.1	128.2	58.2	0	0	0	0	115.4
35	R	32.3	Very low	35.6	Very low	228 Å²	228	139.3 Å²	139.3	86%	0.86	80%	0.797	S	S	*	*			trans	-137.4	105.5	158.3	-74.8	-168.8	173.7	164.8	-1.1	111
36	D	40.4	Very low	36.8	Very low	138 Å²	138	134.4 Å²	134.4	74%	0.738	79%	0.791	S	S	*	*			trans	-25.4	137	138.6	-62.1	-56	0	0	0	112.2
37	Y	33.5	Very low	37.9	Very low	217 Å²	217	133.9 Å²	133.9	85%	0.851	78%	0.782	S	S	*	*				-170	115	129	-91.8	-66.3	0	0	0	108.5
38	S	43	Very low	39.5	Very low	111 Å²	111	136.8 Å²	136.8	78%	0.776	79%	0.791	S	S	*	*			trans	-61.8	129.6	162.9	-62.6	0	0	0	0	109.5
39	L	39	Very low	41.5	Very low	176 Å²	176	135.8 Å²	135.8	92%	0.921	79%	0.786	S	S	*	*			trans	-106.3	121.2	166.6	-105.6	148.3	0	0	0	108.6
40	G	36.1	Very low	43.6	Very low	77 Å²	77	139.5 Å²	139.5	79%	0.794	80%	0.795	S	S	*	*			trans	-73.4	159.7	-166.8	0	0	0	0	0	115.5
41	S	34.4	Very low	46.1	Very low	127 Å²	127	140.9 Å²	140.9	89%	0.888	80%	0.795	S	S	*	*			trans	-91.8	125	166.1	-151.8	0	0	0	0	108.4
42	L	46.1	Very low	48.9	Very low	153 Å²	153	141.8 Å²	141.8	80%	0.801	80%	0.797	S	S	*	*			trans	-104.5	115.2	168.2	-90.6	162.3	0	0	0	109.4
43	N	42.7	Very low	51.5	Low	150 Å²	150	147.8 Å²	147.8	80%	0.802	80%	0.804	S	S	*	*			trans	60.4	101.3	148.2	-63.4	-15	0	0	0	120.5
44	S	40.7	Very low	54.4	Low	111 Å²	111	143.7 Å²	143.7	78%	0.776	79%	0.787	S	S	*	*				-125.5	113.3	128.9	66	0	0	0	0	109.2	G46	S44-G46 PolarHBondContact O-N 2.75Å
45	A	54.7	Low	56.5	Low	115 Å²	115	148.3 Å²	148.3	95%	0.95	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	112.6	173.9	0	0	0	0	0	109.3
46	G	52.6	Low	59.4	Low	81 Å²	81	142 Å²	142	84%	0.835	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	166	-14.2	176.9	0	0	0	0	0	118	S44	S44-G46 PolarHBondContact O-N 2.75Å
47	S	54.1	Low	61.9	Low	73 Å²	73	141 Å²	141	51%	0.51	76%	0.762	S	S	.	*			trans	-143.1	142.7	168.5	77.3	0	0	0	0	111.7	D49	S47-D49 VanDerWaalsContact CB-OD2 3.25Å; S47-D49 WeakPolarHBondContact CB-OD2 3.37Å; S47-D49 PolarHBondContact O-N 3.31Å; S47-D49 PolarHBondContact OG-OD2 3.28Å
48	Q	60.1	Low	64.5	Low	199 Å²	199	133.5 Å²	133.5	93%	0.93	75%	0.745	S	S	*	*			trans	-86.3	50.9	171.2	-73.3	-173.2	-24.2	0	0	110	E50	Q48-E50 PolarHBondContact O-N 3.26Å
49	D	66.4	Low	66.7	Low	101 Å²	101	132.6 Å²	132.6	54%	0.54	73%	0.731	S	S	.	*			trans	-87.6	108.2	-178.2	-62.6	-26.5	0	0	0	109.9	S47 F51	S47-D49 VanDerWaalsContact CB-OD2 3.25Å; S47-D49 WeakPolarHBondContact CB-OD2 3.37Å; S47-D49 PolarHBondContact O-N 3.31Å; S47-D49 PolarHBondContact OG-OD2 3.28Å; D49-F51 HydrophobicContact CB-CE1 4.41Å; D49-F51 HydrophobicContact CB-CE2 3.75Å; D49-F51 HydrophobicContact CB-CZ 3.68Å; D49-F51 WeakPolarHBondContact O-CD2 3.3Å; D49-F51 WeakPolarHBondContact O-CE2 3.46Å
50	E	75.1	Confident	69.2	Low	196 Å²	196	128 Å²	128	92%	0.916	71%	0.708	S	S	*	*			trans	-81.2	121.4	165.1	-75.9	-173.1	166.3	0	0	109.7	Q48	Q48-E50 PolarHBondContact O-N 3.26Å
51	F	80.1	Confident	71.9	Confident	188 Å²	188	127.4 Å²	127.4	83%	0.825	69%	0.686	S	S	*	*			trans	-99.6	109.3	178.4	-62.2	-83.1	0	0	0	111	D49	D49-F51 HydrophobicContact CB-CE1 4.41Å; D49-F51 HydrophobicContact CB-CE2 3.75Å; D49-F51 HydrophobicContact CB-CZ 3.68Å; D49-F51 WeakPolarHBondContact O-CD2 3.3Å; D49-F51 WeakPolarHBondContact O-CE2 3.46Å
52	F	88.1	Confident	74.7	Confident	187 Å²	187	124.3 Å²	124.3	82%	0.82	66%	0.659	S	S	*	*			trans	-88.6	130.2	171.7	174.6	-100.1	0	0	0	111.4	C54	F52-C54 HydrophobicContact CE1-CB 3.91Å; F52-C54 HydrophobicContact CZ-CB 4.01Å
53	R	87.1	Confident	76.9	Confident	227 Å²	227	123 Å²	123	86%	0.857	65%	0.646	S	S	*	*			trans	-131.1	111.4	174.2	-175	177.5	-179.7	178.8	0.7	111
54	C	91.3	Very high	79.2	Confident	58 Å²	58	123.8 Å²	123.8	39%	0.392	64%	0.638	S	S	.	*			trans	-81.5	118.3	169.5	178.6	0	0	0	0	109.7	F52 H57	F52-C54 HydrophobicContact CE1-CB 3.91Å; F52-C54 HydrophobicContact CZ-CB 4.01Å; C54-H57 HydrophobicContact CB-CB 4.05Å; C54-H57 WeakPolarHBondContact O-CB 3.37Å
55	R	89.6	Confident	81.8	Confident	202 Å²	202	121 Å²	121	76%	0.762	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-36.4	-175.2	-68.1	-175.1	179.4	178.2	1	113	H57	R55-H57 VanDerWaalsContact C-N 3.34Å; R55-H57 PolarHBondContact O-N 3.01Å
56	D	91.7	Very high	83.5	Confident	96 Å²	96	117.8 Å²	117.8	51%	0.513	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.8	9.1	-175.1	-47.8	-38.9	0	0	0	113	A58 D59 N60	D56-A58 PolarHBondContact O-N 3.34Å; D56-D59 PolarHBondContact O-N 3.12Å; D56-N60 WeakPolarHBondContact O-CB 3.27Å; D56-N60 VanDerWaalsContact O-CG 3.28Å; D56-N60 PolarHBondContact O-N 3.33Å; D56-N60 PolarHBondContact O-ND2 3.08Å; D56-N60 VanDerWaalsContact O-ND2 3.08Å
57	H	92.8	Very high	85.5	Confident	116 Å²	116	119.2 Å²	119.2	54%	0.537	57%	0.567	S	S	.	*	H	α-helix	trans	-59.8	-44.7	-174.7	-174.7	62.1	0	0	0	112.2	C54 R55 I61	C54-H57 HydrophobicContact CB-CB 4.05Å; C54-H57 WeakPolarHBondContact O-CB 3.37Å; R55-H57 VanDerWaalsContact C-N 3.34Å; R55-H57 PolarHBondContact O-N 3.01Å; H57-I61 VanDerWaalsContact NE2-CD1 3.3Å; H57-I61 WeakPolarHBondContact NE2-CD1 3.31Å; H57-I61 VanDerWaalsContact O-CG1 3.3Å; H57-I61 WeakPolarHBondContact O-CG1 3.43Å; H57-I61 PolarHBondContact O-N 3.2Å
58	A	89	Confident	87.4	Confident	60 Å²	60	119.9 Å²	119.9	50%	0.496	56%	0.559	S	S	.	*	H	α-helix	trans	-64.6	-47	179.5	0	0	0	0	0	112.1	D56 N60 I61 L62	D56-A58 PolarHBondContact O-N 3.34Å; A58-N60 VanDerWaalsContact C-N 3.34Å; A58-N60 PolarHBondContact O-N 2.92Å; A58-I61 PolarHBondContact O-N 2.83Å; A58-L62 PolarHBondContact O-N 3.48Å
59	D	89.4	Confident	88.9	Confident	91 Å²	91	111.2 Å²	111.2	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-40.6	179.5	-65.8	-9.8	0	0	0	111.8	D56 I61 L62 K63	D56-D59 PolarHBondContact O-N 3.12Å; D59-I61 VanDerWaalsContact C-N 3.34Å; D59-L62 PolarHBondContact O-N 3.46Å; D59-K63 WeakPolarHBondContact O-CB 3.42Å; D59-K63 VanDerWaalsContact O-CG 3.28Å; D59-K63 WeakPolarHBondContact O-CG 3.44Å; D59-K63 PolarHBondContact O-N 2.63Å
60	N	91.3	Very high	90	Very high	81 Å²	81	111.7 Å²	111.7	43%	0.433	52%	0.522	S	S	.	.	H	α-helix	trans	-67.5	-34.7	177.1	-73.5	-34.8	0	0	0	112.4	D56 A58 R64	D56-N60 WeakPolarHBondContact O-CB 3.27Å; D56-N60 VanDerWaalsContact O-CG 3.28Å; D56-N60 PolarHBondContact O-N 3.33Å; D56-N60 PolarHBondContact O-ND2 3.08Å; D56-N60 VanDerWaalsContact O-ND2 3.08Å; A58-N60 VanDerWaalsContact C-N 3.34Å; A58-N60 PolarHBondContact O-N 2.92Å; N60-R64 WeakPolarHBondContact O-CG 3.49Å; N60-R64 PolarHBondContact O-N 2.93Å
61	I	92.8	Very high	90.9	Very high	64 Å²	64	105.3 Å²	105.3	33%	0.328	50%	0.499	S	S	.	.	H	α-helix	trans	-66.6	-49.4	173.8	-73.5	169.8	0	0	0	110.4	H57 A58 D59 K63 R64 M65	H57-I61 VanDerWaalsContact NE2-CD1 3.3Å; H57-I61 WeakPolarHBondContact NE2-CD1 3.31Å; H57-I61 VanDerWaalsContact O-CG1 3.3Å; H57-I61 WeakPolarHBondContact O-CG1 3.43Å; H57-I61 PolarHBondContact O-N 3.2Å; A58-I61 PolarHBondContact O-N 2.83Å; D59-I61 VanDerWaalsContact C-N 3.34Å; I61-K63 VanDerWaalsContact C-N 3.35Å; I61-K63 PolarHBondContact O-N 3.42Å; I61-R64 WeakPolarHBondContact O-CB 3.43Å; I61-R64 PolarHBondContact O-N 2.67Å; I61-R64 VanDerWaalsContact O-N 3.1Å; I61-M65 HydrophobicContact CG2-CE 3.53Å; I61-M65 HydrophobicContact CG2-CG 4.42Å; I61-M65 HydrophobicContact CG2-SD 4.01Å; I61-M65 WeakPolarHBondContact O-CG 3.4Å; I61-M65 PolarHBondContact O-N 2.96Å
62	L	92.5	Very high	91.4	Very high	62 Å²	62	103.3 Å²	103.3	33%	0.325	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-40.4	-179.6	-77.8	171.8	0	0	0	112.1	A58 D59 R64 M65 Q66	A58-L62 PolarHBondContact O-N 3.48Å; D59-L62 PolarHBondContact O-N 3.46Å; L62-R64 VanDerWaalsContact C-N 3.32Å; L62-R64 PolarHBondContact O-N 2.9Å; L62-M65 HydrophobicContact CD2-SD 4.34Å; L62-M65 PolarHBondContact O-N 3.27Å; L62-Q66 PolarHBondContact O-N 3.09Å
63	K	92.3	Very high	91.5	Very high	124 Å²	124	99.3 Å²	99.3	54%	0.539	48%	0.476	S	S	.	.	H	α-helix	trans	-59.2	-39.7	172	-76.4	172.6	-176.5	171	0	112.7	D59 I61 Q66 L67	D59-K63 WeakPolarHBondContact O-CB 3.42Å; D59-K63 VanDerWaalsContact O-CG 3.28Å; D59-K63 WeakPolarHBondContact O-CG 3.44Å; D59-K63 PolarHBondContact O-N 2.63Å; I61-K63 VanDerWaalsContact C-N 3.35Å; I61-K63 PolarHBondContact O-N 3.42Å; K63-Q66 WeakPolarHBondContact O-CB 3.44Å; K63-Q66 PolarHBondContact O-N 2.89Å; K63-L67 WeakPolarHBondContact O-CG 3.42Å; K63-L67 PolarHBondContact O-N 2.81Å; K63-L67 VanDerWaalsContact O-N 3.16Å
64	R	92.5	Very high	91.6	Very high	167 Å²	167	94.7 Å²	94.7	63%	0.63	47%	0.468	S	S	*	.	H	α-helix	trans	-67.5	-41.1	174.6	-76.6	174.4	119.1	134.5	0.1	111.9	N60 I61 L62 Q66 L67 Y68	N60-R64 WeakPolarHBondContact O-CG 3.49Å; N60-R64 PolarHBondContact O-N 2.93Å; I61-R64 WeakPolarHBondContact O-CB 3.43Å; I61-R64 PolarHBondContact O-N 2.67Å; I61-R64 VanDerWaalsContact O-N 3.1Å; L62-R64 VanDerWaalsContact C-N 3.32Å; L62-R64 PolarHBondContact O-N 2.9Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 3.45Å; R64-L67 WeakPolarHBondContact O-CB 3.31Å; R64-L67 PolarHBondContact O-N 3.45Å; R64-Y68 WeakPolarHBondContact O-CD2 3.45Å; R64-Y68 PolarHBondContact O-N 2.92Å; R64-Y68 VanDerWaalsContact O-N 3.11Å
65	M	93.4	Very high	91.6	Very high	54 Å²	54	93.6 Å²	93.6	27%	0.266	46%	0.46	S	S	.	.	H	α-helix	trans	-63.3	-36.1	175.2	-68.7	176	174.6	0	0	112	I61 L62 Y68 V69 V94 Y136	I61-M65 HydrophobicContact CG2-CE 3.53Å; I61-M65 HydrophobicContact CG2-CG 4.42Å; I61-M65 HydrophobicContact CG2-SD 4.01Å; I61-M65 WeakPolarHBondContact O-CG 3.4Å; I61-M65 PolarHBondContact O-N 2.96Å; L62-M65 HydrophobicContact CD2-SD 4.34Å; L62-M65 PolarHBondContact O-N 3.27Å; M65-Y68 PolarHBondContact O-N 3.46Å; M65-V69 PolarHBondContact O-N 3.5Å; M65-V69 VanDerWaalsContact O-N 3.08Å; M65-V94 HydrophobicContact SD-CG2 3.69Å; M65-Y136 HydrophobicContact CB-CD1 3.98Å; M65-Y136 HydrophobicContact CB-CE1 3.99Å
66	Q	92.3	Very high	91.8	Very high	46 Å²	46	86.9 Å²	86.9	22%	0.215	44%	0.439	C	S	.	.	H	α-helix	trans	-60.3	-48.1	172.7	-170	-175.9	-2.8	0	0	111.3	L62 K63 R64 Y68 V69 D70	L62-Q66 PolarHBondContact O-N 3.09Å; K63-Q66 WeakPolarHBondContact O-CB 3.44Å; K63-Q66 PolarHBondContact O-N 2.89Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 3.45Å; Q66-Y68 PolarHBondContact O-N 2.6Å; Q66-V69 WeakPolarHBondContact O-CB 3.24Å; Q66-V69 PolarHBondContact O-N 3.31Å; Q66-D70 PolarHBondContact O-N 2.76Å
67	L	93.3	Very high	91.9	Very high	112 Å²	112	82.3 Å²	82.3	59%	0.586	42%	0.415	S	S	*	.	H	α-helix	trans	-59.2	-34.8	176.5	-69.3	170.5	0	0	0	112.6	K63 R64 D70 S71	K63-L67 WeakPolarHBondContact O-CG 3.42Å; K63-L67 PolarHBondContact O-N 2.81Å; K63-L67 VanDerWaalsContact O-N 3.16Å; R64-L67 WeakPolarHBondContact O-CB 3.31Å; R64-L67 PolarHBondContact O-N 3.45Å; L67-D70 PolarHBondContact O-N 3.33Å; L67-S71 WeakPolarHBondContact O-CB 3.44Å; L67-S71 PolarHBondContact O-N 3.38Å; L67-S71 PolarHBondContact O-OG 3.49Å
68	Y	93.4	Very high	92	Very high	86 Å²	86	78.1 Å²	78.1	34%	0.337	40%	0.397	S	S	.	.	H	α-helix	trans	-66.1	-41.6	174	-65.3	-36.5	0	0	0	112	R64 M65 Q66 S71 Q72 Q73 L74	R64-Y68 WeakPolarHBondContact O-CD2 3.45Å; R64-Y68 PolarHBondContact O-N 2.92Å; R64-Y68 VanDerWaalsContact O-N 3.11Å; M65-Y68 PolarHBondContact O-N 3.46Å; Q66-Y68 PolarHBondContact O-N 2.6Å; Y68-S71 CarbonylContact O-C 3.57Å; Y68-S71 PolarHBondContact O-N 3.37Å; Y68-S71 PolarHBondContact O-OG 3.39Å; Y68-Q72 CarbonylContact O-C 3.5Å; Y68-Q72 PolarHBondContact O-N 2.86Å; Y68-Q73 HydrophobicContact CD1-CB 4.24Å; Y68-Q73 PolarHBondContact O-N 2.76Å; Y68-L74 HydrophobicContact CD2-CD1 4.3Å; Y68-L74 HydrophobicContact CE2-CD1 4.37Å
69	V	92.4	Very high	92.2	Very high	18 Å²	18	75.2 Å²	75.2	11%	0.109	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-46.9	172.9	173.5	0	0	0	0	111.6	M65 Q66 S71 Q72 P89 H91 Y136	M65-V69 PolarHBondContact O-N 3.5Å; M65-V69 VanDerWaalsContact O-N 3.08Å; Q66-V69 WeakPolarHBondContact O-CB 3.24Å; Q66-V69 PolarHBondContact O-N 3.31Å; V69-S71 PolarHBondContact O-N 3.42Å; V69-Q72 PolarHBondContact O-N 3.31Å; V69-P89 WeakPolarHBondContact CG1-O 3.3Å; V69-H91 WeakPolarHBondContact CG2-CE1 3.45Å; V69-H91 WeakPolarHBondContact CG2-ND1 3.34Å; V69-Y136 HydrophobicContact CG2-CD1 4.37Å; V69-Y136 HydrophobicContact CG2-CE1 3.63Å; V69-Y136 HydrophobicContact CG2-CE2 3.84Å; V69-Y136 WeakPolarHBondContact CG2-OH 3.21Å
70	D	90.5	Very high	92.5	Very high	111 Å²	111	72.3 Å²	72.3	59%	0.594	36%	0.358	S	S	*	.	H	α-helix	trans	-62.8	-33.4	-177.7	-66.1	-22.4	0	0	0	112.2	Q66 L67	Q66-D70 PolarHBondContact O-N 2.76Å; L67-D70 PolarHBondContact O-N 3.33Å
71	S	92.4	Very high	92.6	Very high	61 Å²	61	68.4 Å²	68.4	43%	0.427	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.3	174.8	58.7	0	0	0	0	114.2	L67 Y68 V69 Q73	L67-S71 WeakPolarHBondContact O-CB 3.44Å; L67-S71 PolarHBondContact O-N 3.38Å; L67-S71 PolarHBondContact O-OG 3.49Å; Y68-S71 CarbonylContact O-C 3.57Å; Y68-S71 PolarHBondContact O-N 3.37Å; Y68-S71 PolarHBondContact O-OG 3.39Å; V69-S71 PolarHBondContact O-N 3.42Å; S71-Q73 PolarHBondContact O-N 2.82Å; S71-Q73 WeakPolarHBondContact OG-CG 3.31Å
72	Q	91.4	Very high	92.5	Very high	146 Å²	146	67.1 Å²	67.1	68%	0.682	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	33.7	-175.4	-55.7	-176.8	7.6	0	0	113.9	Y68 V69 P89	Y68-Q72 CarbonylContact O-C 3.5Å; Y68-Q72 PolarHBondContact O-N 2.86Å; V69-Q72 PolarHBondContact O-N 3.31Å; Q72-P89 HydrophobicContact CG-CG 4.27Å
73	Q	89.6	Confident	92.4	Very high	104 Å²	104	68.4 Å²	68.4	49%	0.486	35%	0.346	S	S	.	.			trans	-93.7	138.7	175.7	-65.9	-177.6	-8.5	0	0	110.1	Y68 S71 C75 H91	Y68-Q73 HydrophobicContact CD1-CB 4.24Å; Y68-Q73 PolarHBondContact O-N 2.76Å; S71-Q73 PolarHBondContact O-N 2.82Å; S71-Q73 WeakPolarHBondContact OG-CG 3.31Å; Q73-C75 PolarHBondContact O-N 2.95Å; Q73-H91 PolarHBondContact O-NE2 3.39Å
74	L	90.6	Very high	92.4	Very high	130 Å²	130	66.3 Å²	66.3	68%	0.681	34%	0.34	S	S	*	.	S	Bend	trans	60.5	7.8	175.7	-52.7	174.9	0	0	0	115.8	Y68 D76 H91	Y68-L74 HydrophobicContact CD2-CD1 4.3Å; Y68-L74 HydrophobicContact CE2-CD1 4.37Å; L74-D76 PolarHBondContact O-N 3.32Å; L74-H91 PolarHBondContact O-CD2 3.14Å; L74-H91 PolarHBondContact O-NE2 3.16Å
75	C	91.1	Very high	92.3	Very high	34 Å²	34	60.4 Å²	60.4	23%	0.23	33%	0.332	C	S	.	.			trans	-64.7	125.5	172.4	-61.4	0	0	0	0	110.4	Q73 P89 A90	Q73-C75 PolarHBondContact O-N 2.95Å; C75-P89 HydrophobicContact CB-CB 4.32Å; C75-A90 WeakPolarHBondContact CA-O 3.42Å
76	D	92.6	Very high	92.4	Very high	61 Å²	61	61.2 Å²	61.2	33%	0.326	33%	0.334	S	S	.	.			trans	-113.2	4.7	-175.3	62.2	-7.5	0	0	0	112.9	L74 A90 H91 R92	L74-D76 PolarHBondContact O-N 3.32Å; D76-A90 PolarHBondContact N-O 2.88Å; D76-H91 VanDerWaalsContact OD1-CA 3.24Å; D76-H91 WeakPolarHBondContact OD1-CA 3.13Å; D76-R92 PolarHBondContact O-NE 2.92Å; D76-R92 WeakPolarHBondContact OD1-CG 3.22Å; D76-R92 PolarHBondContact OD1-N 2.79Å
77	V	93.9	Very high	92.5	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	146.7	173.2	66.2	0	0	0	0	111.4	L79 A90 R92 L95 F106 V118	V77-L79 HydrophobicContact CG2-CD2 4.23Å; V77-A90 HydrophobicContact CG1-CB 4.25Å; V77-A90 PolarHBondContact N-O 3.28Å; V77-A90 PolarHBondContact O-N 2.69Å; V77-R92 HydrophobicContact CB-CG 3.85Å; V77-R92 HydrophobicContact CG1-CG 3.72Å; V77-L95 HydrophobicContact CG1-CD1 4.4Å; V77-F106 HydrophobicContact CG1-CZ 4.37Å; V77-F106 HydrophobicContact CG2-CE1 4.39Å; V77-F106 HydrophobicContact CG2-CZ 4.17Å; V77-V118 HydrophobicContact CG2-CG2 4.11Å
78	V	94.6	Very high	92.6	Very high	27 Å²	27	61 Å²	61	16%	0.164	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.3	167.6	-178.4	0	0	0	0	108.8	R87 P89 Q116 E117 V118	V78-R87 HydrophobicContact CG1-CB 3.89Å; V78-R87 HydrophobicContact CG1-CG 4.47Å; V78-P89 HydrophobicContact CG2-CB 4.48Å; V78-Q116 PolarHBondContact N-O 3.08Å; V78-E117 HydrophobicContact CB-CG 4.36Å; V78-E117 CarbonylContact O-C 3.57Å; V78-E117 VanDerWaalsContact O-CA 3.31Å; V78-E117 WeakPolarHBondContact O-CA 3.49Å; V78-V118 PolarHBondContact O-N 3.11Å
79	L	94.6	Very high	92.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.9	173.1	-57.4	-179.5	0	0	0	109.5	V77 R87 V88 L95 F102 F106 V118 L120 L128 V132	V77-L79 HydrophobicContact CG2-CD2 4.23Å; L79-R87 CarbonylContact O-C 3.53Å; L79-R87 WeakPolarHBondContact O-CA 3.47Å; L79-V88 PolarHBondContact N-O 3.38Å; L79-V88 PolarHBondContact O-N 2.96Å; L79-L95 HydrophobicContact CD1-CD1 3.86Å; L79-L95 HydrophobicContact CG-CD1 4.46Å; L79-F102 HydrophobicContact CD1-CE1 3.91Å; L79-F102 HydrophobicContact CD1-CZ 3.72Å; L79-F102 HydrophobicContact CD2-CE1 4.29Å; L79-F106 HydrophobicContact CD2-CZ 4.39Å; L79-V118 CarbonylContact C-O 3.57Å; L79-V118 WeakPolarHBondContact CA-O 3.25Å; L79-V118 HydrophobicContact CD2-CB 4.13Å; L79-L120 HydrophobicContact CD1-CD1 4.39Å; L79-L128 HydrophobicContact CB-CD2 3.98Å; L79-L128 HydrophobicContact CD1-CD1 4.08Å; L79-V132 HydrophobicContact CD1-CG2 4.02Å
80	I	94.8	Very high	92.8	Very high	29 Å²	29	57.5 Å²	57.5	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.9	178.1	-52.4	-175.2	0	0	0	108.1	G82 K86 R87 E117 V118 T119 L120	I80-G82 PolarHBondContact O-N 3.35Å; I80-K86 WeakPolarHBondContact CA-O 3.49Å; I80-R87 HydrophobicContact CG1-CG 4.25Å; I80-E117 HydrophobicContact CD1-CB 4.03Å; I80-V118 PolarHBondContact N-O 2.6Å; I80-T119 HydrophobicContact CB-CG2 4.46Å; I80-T119 CarbonylContact O-C 3.59Å; I80-T119 WeakPolarHBondContact O-CA 3.25Å; I80-L120 PolarHBondContact O-N 3.21Å
81	A	94.4	Very high	93	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	123.9	172.2	0	0	0	0	0	109.9	I83 D84 G85 K86 V123 G125 L128	A81-I83 VanDerWaalsContact C-N 3.3Å; A81-I83 PolarHBondContact O-N 3.16Å; A81-D84 VanDerWaalsContact CB-OD1 3.22Å; A81-D84 WeakPolarHBondContact CB-OD1 3.45Å; A81-G85 WeakPolarHBondContact O-CA 3.33Å; A81-G85 PolarHBondContact O-N 3.45Å; A81-K86 HydrophobicContact CB-CB 4.3Å; A81-K86 PolarHBondContact N-O 3.49Å; A81-V123 WeakPolarHBondContact CB-O 3.38Å; A81-G125 VanDerWaalsContact CB-CA 3.45Å; A81-L128 HydrophobicContact CB-CD2 4.08Å
82	G	90.8	Very high	93	Very high	37 Å²	37	52 Å²	52	38%	0.381	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.6	-172.6	0	0	0	0	0	114	I80 L120	I80-G82 PolarHBondContact O-N 3.35Å; G82-L120 VanDerWaalsContact CA-O 3.31Å; G82-L120 WeakPolarHBondContact CA-O 3.48Å; G82-L120 PolarHBondContact N-O 2.9Å
83	I	90.3	Very high	93	Very high	89 Å²	89	51 Å²	51	46%	0.456	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-46.7	-176.2	-60.3	177.1	0	0	0	111.9	A81 V123	A81-I83 VanDerWaalsContact C-N 3.3Å; A81-I83 PolarHBondContact O-N 3.16Å; I83-V123 PolarHBondContact N-O 3.41Å
84	D	92	Very high	93.3	Very high	79 Å²	79	46.5 Å²	46.5	42%	0.422	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-1.5	-173.5	58.7	19.3	0	0	0	113.9	A81 K86 G125	A81-D84 VanDerWaalsContact CB-OD1 3.22Å; A81-D84 WeakPolarHBondContact CB-OD1 3.45Å; D84-K86 PolarHBondContact O-N 3.45Å; D84-K86 WeakPolarHBondContact OD1-CB 3.39Å; D84-K86 PolarHBondContact OD1-N 2.93Å; D84-G125 WeakPolarHBondContact OD1-CA 3.47Å; D84-G125 PolarHBondContact OD1-N 2.93Å; D84-G125 WeakPolarHBondContact OD2-CA 3.25Å; D84-G125 PolarHBondContact OD2-N 2.93Å
85	G	90.9	Very high	93.4	Very high	44 Å²	44	40.3 Å²	40.3	45%	0.454	22%	0.22	S	C	.	.			trans	72	10.4	178.6	0	0	0	0	0	114.3	A81 R87	A81-G85 WeakPolarHBondContact O-CA 3.33Å; A81-G85 PolarHBondContact O-N 3.45Å; G85-R87 PolarHBondContact O-N 3.4Å
86	K	93.9	Very high	93.5	Very high	70 Å²	70	39.8 Å²	39.8	30%	0.304	22%	0.217	S	C	.	.			trans	-64.1	128.2	-177.7	-162.5	-178.9	-172	179.5	0	110.6	I80 A81 D84 G125 D126	I80-K86 WeakPolarHBondContact CA-O 3.49Å; A81-K86 HydrophobicContact CB-CB 4.3Å; A81-K86 PolarHBondContact N-O 3.49Å; D84-K86 PolarHBondContact O-N 3.45Å; D84-K86 WeakPolarHBondContact OD1-CB 3.39Å; D84-K86 PolarHBondContact OD1-N 2.93Å; K86-G125 VanDerWaalsContact CD-C 3.49Å; K86-D126 IonicContact NZ-OD1 3.35Å; K86-D126 PolarHBondContact NZ-OD1 3.03Å
87	R	94.8	Very high	93.6	Very high	151 Å²	151	40.9 Å²	40.9	57%	0.57	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.7	-179.2	-61.9	176.4	72.7	-136.7	4.7	110	V78 L79 I80 G85 E117	V78-R87 HydrophobicContact CG1-CB 3.89Å; V78-R87 HydrophobicContact CG1-CG 4.47Å; L79-R87 CarbonylContact O-C 3.53Å; L79-R87 WeakPolarHBondContact O-CA 3.47Å; I80-R87 HydrophobicContact CG1-CG 4.25Å; G85-R87 PolarHBondContact O-N 3.4Å; R87-E117 IonicContact CZ-OE1 3.2Å; R87-E117 IonicContact NE-OE1 2.81Å; R87-E117 IonicContact NH2-OE1 2.83Å; R87-E117 PolarHBondContact NH2-OE1 3.27Å
88	V	95.3	Very high	93.6	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	103.4	-178.2	-175	0	0	0	0	109.1	L79 L128 H129 V132	L79-V88 PolarHBondContact N-O 3.38Å; L79-V88 PolarHBondContact O-N 2.96Å; V88-L128 HydrophobicContact CG2-CD2 4.16Å; V88-L128 HydrophobicContact CG2-CG 4.22Å; V88-H129 HydrophobicContact CG2-CB 4.23Å; V88-V132 HydrophobicContact CG1-CB 3.98Å; V88-V132 HydrophobicContact CG1-CG1 3.95Å; V88-V132 HydrophobicContact CG1-CG2 3.97Å
89	P	95	Very high	93.6	Very high	30 Å²	30	42.1 Å²	42.1	20%	0.195	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	141.9	175.7	29.6	-33.1	0	0	0	110.6	V69 Q72 C75 V78	V69-P89 WeakPolarHBondContact CG1-O 3.3Å; Q72-P89 HydrophobicContact CG-CG 4.27Å; C75-P89 HydrophobicContact CB-CB 4.32Å; V78-P89 HydrophobicContact CG2-CB 4.48Å
90	A	95.6	Very high	93.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	178.4	-178.4	0	0	0	0	0	112.2	C75 D76 V77 L95 V132	C75-A90 WeakPolarHBondContact CA-O 3.42Å; D76-A90 PolarHBondContact N-O 2.88Å; V77-A90 HydrophobicContact CG1-CB 4.25Å; V77-A90 PolarHBondContact N-O 3.28Å; V77-A90 PolarHBondContact O-N 2.69Å; A90-L95 HydrophobicContact CB-CD1 3.69Å; A90-L95 HydrophobicContact CB-CG 4.19Å; A90-V132 HydrophobicContact CB-CG1 4.06Å
91	H	94.6	Very high	93.4	Very high	22 Å²	22	46.3 Å²	46.3	10%	0.102	27%	0.271	C	S	.	.			trans	-110.9	123.6	173.6	-58.4	85.7	0	0	0	110.4	V69 Q73 L74 D76 L93 V94 L95 Y136	V69-H91 WeakPolarHBondContact CG2-CE1 3.45Å; V69-H91 WeakPolarHBondContact CG2-ND1 3.34Å; Q73-H91 PolarHBondContact O-NE2 3.39Å; L74-H91 PolarHBondContact O-CD2 3.14Å; L74-H91 PolarHBondContact O-NE2 3.16Å; D76-H91 VanDerWaalsContact OD1-CA 3.24Å; D76-H91 WeakPolarHBondContact OD1-CA 3.13Å; H91-L93 PolarHBondContact O-N 2.99Å; H91-V94 HydrophobicContact CB-CB 4.44Å; H91-V94 HydrophobicContact CB-CG2 4.16Å; H91-V94 PolarHBondContact O-N 3.48Å; H91-V94 VanDerWaalsContact O-N 3.14Å; H91-L95 PolarHBondContact O-N 3.19Å; H91-L95 VanDerWaalsContact O-N 3.16Å; H91-Y136 WeakPolarHBondContact CB-OH 3.35Å; H91-Y136 PolarHBondContact N-OH 2.89Å; H91-Y136 AromaticContact ND1-CE1 3.88Å; H91-Y136 AromaticContact ND1-CZ 3.81Å; H91-Y136 PolarHBondContact ND1-OH 2.95Å
92	R	92.6	Very high	93.4	Very high	34 Å²	34	46.4 Å²	46.4	13%	0.128	27%	0.271	C	S	.	.	H	α-helix	trans	-53.3	-39.6	179	-70.2	170.1	170.9	-89.1	-5.2	112.3	D76 V77 S96 F106 E112 T113 E115	D76-R92 PolarHBondContact O-NE 2.92Å; D76-R92 WeakPolarHBondContact OD1-CG 3.22Å; D76-R92 PolarHBondContact OD1-N 2.79Å; V77-R92 HydrophobicContact CB-CG 3.85Å; V77-R92 HydrophobicContact CG1-CG 3.72Å; R92-S96 VanDerWaalsContact O-CB 3.25Å; R92-S96 WeakPolarHBondContact O-CB 3.44Å; R92-S96 PolarHBondContact O-N 3.36Å; R92-S96 PolarHBondContact O-OG 3.28Å; R92-F106 HydrophobicContact CB-CD2 3.9Å; R92-F106 HydrophobicContact CB-CE2 4.24Å; R92-F106 HydrophobicContact CB-CG 4.36Å; R92-F106 HydrophobicContact CG-CD1 4.49Å; R92-F106 HydrophobicContact CG-CD2 3.96Å; R92-F106 HydrophobicContact CG-CE2 4.03Å; R92-F106 HydrophobicContact CG-CG 4.2Å; R92-F106 HydrophobicContact CG-CZ 4.29Å; R92-E112 PolarHBondContact NH1-O 3.19Å; R92-E112 PolarHBondContact NH2-O 3.06Å; R92-T113 PolarHBondContact NH1-O 3.27Å; R92-E115 PolarHBondContact NH2-O 2.93Å
93	L	92.1	Very high	93.4	Very high	126 Å²	126	46.6 Å²	46.6	66%	0.66	27%	0.267	S	S	*	.	H	α-helix	trans	-61.4	-47.8	180	-178.7	65.6	0	0	0	112.1	H91 S96 A97	H91-L93 PolarHBondContact O-N 2.99Å; L93-S96 PolarHBondContact O-N 2.81Å; L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.3Å; L93-A97 PolarHBondContact O-N 3.33Å
94	V	93.9	Very high	93.4	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-42.5	-177.1	178.6	0	0	0	0	110.6	M65 H91 A97 S98 C135 Y136	M65-V94 HydrophobicContact SD-CG2 3.69Å; H91-V94 HydrophobicContact CB-CB 4.44Å; H91-V94 HydrophobicContact CB-CG2 4.16Å; H91-V94 PolarHBondContact O-N 3.48Å; H91-V94 VanDerWaalsContact O-N 3.14Å; V94-A97 PolarHBondContact O-N 3.12Å; V94-S98 WeakPolarHBondContact O-CB 3.44Å; V94-S98 PolarHBondContact O-N 2.79Å; V94-S98 PolarHBondContact O-OG 3.25Å; V94-C135 HydrophobicContact CG1-CB 4.18Å; V94-Y136 HydrophobicContact CB-CE1 3.87Å; V94-Y136 HydrophobicContact CG1-CD1 3.95Å; V94-Y136 HydrophobicContact CG1-CD2 4.47Å; V94-Y136 HydrophobicContact CG1-CE1 3.67Å; V94-Y136 HydrophobicContact CG1-CE2 4.2Å; V94-Y136 HydrophobicContact CG1-CG 4.32Å; V94-Y136 HydrophobicContact CG2-CD1 4.44Å; V94-Y136 HydrophobicContact CG2-CE1 3.69Å
95	L	94.3	Very high	93.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-45.8	176.4	-66.3	-178.4	0	0	0	111.9	V77 L79 A90 H91 A97 S98 S99 F102 F106 V132 C135	V77-L95 HydrophobicContact CG1-CD1 4.4Å; L79-L95 HydrophobicContact CD1-CD1 3.86Å; L79-L95 HydrophobicContact CG-CD1 4.46Å; A90-L95 HydrophobicContact CB-CD1 3.69Å; A90-L95 HydrophobicContact CB-CG 4.19Å; H91-L95 PolarHBondContact O-N 3.19Å; H91-L95 VanDerWaalsContact O-N 3.16Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 3.37Å; L95-S98 PolarHBondContact O-N 3.07Å; L95-S99 PolarHBondContact O-N 3.41Å; L95-F102 HydrophobicContact CB-CB 3.92Å; L95-F102 HydrophobicContact CB-CD2 3.77Å; L95-F102 HydrophobicContact CB-CE2 4.47Å; L95-F102 HydrophobicContact CB-CG 3.89Å; L95-F102 HydrophobicContact CD1-CD2 4.47Å; L95-F102 HydrophobicContact CD1-CE2 4.5Å; L95-F102 HydrophobicContact CD2-CD2 4.16Å; L95-F102 HydrophobicContact CD2-CE2 4.08Å; L95-F102 HydrophobicContact CG-CD2 4.35Å; L95-F106 HydrophobicContact CB-CE2 4.15Å; L95-F106 HydrophobicContact CD1-CE2 4.05Å; L95-V132 HydrophobicContact CD2-CG1 4.41Å; L95-V132 HydrophobicContact CD2-CG2 4.22Å; L95-C135 HydrophobicContact CD2-CB 4.35Å
96	S	93.6	Very high	93.2	Very high	23 Å²	23	40.8 Å²	40.8	16%	0.161	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-35.6	178.3	-56.5	0	0	0	0	112.5	R92 L93 S98 S103 F106	R92-S96 VanDerWaalsContact O-CB 3.25Å; R92-S96 WeakPolarHBondContact O-CB 3.44Å; R92-S96 PolarHBondContact O-N 3.36Å; R92-S96 PolarHBondContact O-OG 3.28Å; L93-S96 PolarHBondContact O-N 2.81Å; S96-S98 VanDerWaalsContact C-N 3.31Å; S96-S103 WeakPolarHBondContact O-CB 3.49Å; S96-F106 WeakPolarHBondContact OG-CD2 3.45Å
97	A	93.3	Very high	92.8	Very high	85 Å²	85	42.4 Å²	42.4	70%	0.702	25%	0.25	S	C	*	.	H	α-helix	trans	-69.5	-31.1	176	0	0	0	0	0	112.3	L93 V94 L95	L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.3Å; L93-A97 PolarHBondContact O-N 3.33Å; V94-A97 PolarHBondContact O-N 3.12Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 3.37Å
98	S	93.4	Very high	92	Very high	49 Å²	49	36.6 Å²	36.6	34%	0.343	24%	0.236	S	C	.	.	H	α-helix	trans	-92.4	-23.7	-174.3	-54.1	0	0	0	0	113.7	V94 L95 S96 L159	V94-S98 WeakPolarHBondContact O-CB 3.44Å; V94-S98 PolarHBondContact O-N 2.79Å; V94-S98 PolarHBondContact O-OG 3.25Å; L95-S98 PolarHBondContact O-N 3.07Å; S96-S98 VanDerWaalsContact C-N 3.31Å; S98-L159 WeakPolarHBondContact O-CD2 3.44Å
99	S	95.4	Very high	91	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.028	28%	0.281	C	S	.	.			trans	-139.2	129.3	-173.3	163.9	0	0	0	0	111.8	L95 Y101 F102 S103 L157	L95-S99 PolarHBondContact O-N 3.41Å; S99-Y101 VanDerWaalsContact C-N 3.26Å; S99-Y101 PolarHBondContact O-N 2.91Å; S99-Y101 WeakPolarHBondContact OG-CB 3.32Å; S99-Y101 PolarHBondContact OG-N 2.96Å; S99-Y101 VanDerWaalsContact OG-N 3.16Å; S99-F102 PolarHBondContact O-N 3.04Å; S99-F102 PolarHBondContact OG-N 3.37Å; S99-S103 WeakPolarHBondContact O-CB 3.48Å; S99-S103 PolarHBondContact O-N 3.33Å; S99-L157 WeakPolarHBondContact CB-O 3.47Å; S99-L157 PolarHBondContact OG-O 3.1Å
100	A	92.7	Very high	90	Very high	57 Å²	57	46.1 Å²	46.1	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-64.4	-31.5	173.5	0	0	0	0	0	112.5	S103 A104	A100-S103 PolarHBondContact O-N 3.08Å; A100-A104 WeakPolarHBondContact O-CB 3.49Å; A100-A104 PolarHBondContact O-N 3.49Å
101	Y	93.1	Very high	88.9	Confident	61 Å²	61	55.2 Å²	55.2	24%	0.239	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-51.5	174.7	175.6	-94.2	0	0	0	111.2	S99 S103 A104 M105 L120 L156 L157	S99-Y101 VanDerWaalsContact C-N 3.26Å; S99-Y101 PolarHBondContact O-N 2.91Å; S99-Y101 WeakPolarHBondContact OG-CB 3.32Å; S99-Y101 PolarHBondContact OG-N 2.96Å; S99-Y101 VanDerWaalsContact OG-N 3.16Å; Y101-S103 VanDerWaalsContact C-N 3.34Å; Y101-S103 PolarHBondContact O-N 3.37Å; Y101-A104 PolarHBondContact O-N 3.38Å; Y101-M105 HydrophobicContact CD1-CE 4.33Å; Y101-M105 HydrophobicContact CE1-CE 3.36Å; Y101-M105 VanDerWaalsContact CZ-CE 3.5Å; Y101-M105 WeakPolarHBondContact O-CB 3.43Å; Y101-M105 PolarHBondContact O-N 3.33Å; Y101-M105 VanDerWaalsContact OH-CE 3.27Å; Y101-M105 WeakPolarHBondContact OH-CE 3.34Å; Y101-L120 HydrophobicContact CE1-CD2 4.22Å; Y101-L156 WeakPolarHBondContact CD2-O 3.29Å; Y101-L157 HydrophobicContact CD1-CD2 3.6Å; Y101-L157 HydrophobicContact CE1-CD2 3.65Å; Y101-L157 HydrophobicContact CG-CD2 4.43Å
102	F	93.2	Very high	88	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.009	34%	0.34	C	S	.	.	H	α-helix	trans	-68.2	-35.2	177.7	-70.1	-52.9	0	0	0	112.4	L79 L95 S99 A104 M105 F106 L120 L157	L79-F102 HydrophobicContact CD1-CE1 3.91Å; L79-F102 HydrophobicContact CD1-CZ 3.72Å; L79-F102 HydrophobicContact CD2-CE1 4.29Å; L95-F102 HydrophobicContact CB-CB 3.92Å; L95-F102 HydrophobicContact CB-CD2 3.77Å; L95-F102 HydrophobicContact CB-CE2 4.47Å; L95-F102 HydrophobicContact CB-CG 3.89Å; L95-F102 HydrophobicContact CD1-CD2 4.47Å; L95-F102 HydrophobicContact CD1-CE2 4.5Å; L95-F102 HydrophobicContact CD2-CD2 4.16Å; L95-F102 HydrophobicContact CD2-CE2 4.08Å; L95-F102 HydrophobicContact CG-CD2 4.35Å; S99-F102 PolarHBondContact O-N 3.04Å; S99-F102 PolarHBondContact OG-N 3.37Å; F102-A104 PolarHBondContact O-N 3.03Å; F102-M105 HydrophobicContact CD1-SD 4.24Å; F102-M105 PolarHBondContact O-N 3.46Å; F102-F106 HydrophobicContact CB-CD2 4.19Å; F102-F106 HydrophobicContact CB-CE2 4.05Å; F102-F106 HydrophobicContact CD1-CE2 4.01Å; F102-F106 HydrophobicContact CD1-CZ 4.14Å; F102-F106 HydrophobicContact CG-CE2 4.29Å; F102-F106 WeakPolarHBondContact O-CB 3.15Å; F102-F106 WeakPolarHBondContact O-CD2 3.44Å; F102-F106 WeakPolarHBondContact O-CG 3.47Å; F102-F106 PolarHBondContact O-N 2.9Å; F102-L120 HydrophobicContact CE1-CD1 4.49Å; F102-L120 HydrophobicContact CZ-CD1 4.49Å; F102-L157 HydrophobicContact CE1-CD2 4.1Å; F102-L157 HydrophobicContact CE2-CD1 4.04Å; F102-L157 HydrophobicContact CE2-CD2 4.05Å; F102-L157 HydrophobicContact CE2-CG 4.44Å; F102-L157 HydrophobicContact CZ-CD1 3.95Å; F102-L157 HydrophobicContact CZ-CD2 3.56Å; F102-L157 HydrophobicContact CZ-CG 4.31Å
103	S	91.6	Very high	87.2	Confident	41 Å²	41	57.9 Å²	57.9	29%	0.287	35%	0.347	S	S	.	.	H	α-helix	trans	-57.6	-49.9	173.3	-171.1	0	0	0	0	111.1	S96 S99 A100 Y101 M105 F106 T107	S96-S103 WeakPolarHBondContact O-CB 3.49Å; S99-S103 WeakPolarHBondContact O-CB 3.48Å; S99-S103 PolarHBondContact O-N 3.33Å; A100-S103 PolarHBondContact O-N 3.08Å; Y101-S103 VanDerWaalsContact C-N 3.34Å; Y101-S103 PolarHBondContact O-N 3.37Å; S103-M105 PolarHBondContact O-N 3.33Å; S103-F106 PolarHBondContact O-N 3.23Å; S103-T107 VanDerWaalsContact O-CB 3.31Å; S103-T107 WeakPolarHBondContact O-CB 3.44Å; S103-T107 WeakPolarHBondContact O-CG2 3.42Å; S103-T107 PolarHBondContact O-N 2.59Å; S103-T107 PolarHBondContact O-OG1 3.25Å
104	A	89.8	Confident	86.4	Confident	60 Å²	60	61 Å²	61	50%	0.496	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-41	176.7	0	0	0	0	0	112.3	A100 Y101 F102 G108	A100-A104 WeakPolarHBondContact O-CB 3.49Å; A100-A104 PolarHBondContact O-N 3.49Å; Y101-A104 PolarHBondContact O-N 3.38Å; F102-A104 PolarHBondContact O-N 3.03Å; A104-G108 WeakPolarHBondContact O-CA 3.37Å; A104-G108 PolarHBondContact O-N 2.94Å; A104-G108 VanDerWaalsContact O-N 3.09Å
105	M	89.2	Confident	86	Confident	14 Å²	14	63.6 Å²	63.6	7%	0.069	37%	0.367	C	S	.	.	H	α-helix	trans	-62.9	-43.6	178.9	-177.6	-177.7	-77	0	0	112.9	Y101 F102 S103 E112 T113 V118 L120	Y101-M105 HydrophobicContact CD1-CE 4.33Å; Y101-M105 HydrophobicContact CE1-CE 3.36Å; Y101-M105 VanDerWaalsContact CZ-CE 3.5Å; Y101-M105 WeakPolarHBondContact O-CB 3.43Å; Y101-M105 PolarHBondContact O-N 3.33Å; Y101-M105 VanDerWaalsContact OH-CE 3.27Å; Y101-M105 WeakPolarHBondContact OH-CE 3.34Å; F102-M105 HydrophobicContact CD1-SD 4.24Å; F102-M105 PolarHBondContact O-N 3.46Å; S103-M105 PolarHBondContact O-N 3.33Å; M105-E112 HydrophobicContact CG-CB 3.91Å; M105-E112 HydrophobicContact CG-CG 4.48Å; M105-E112 HydrophobicContact SD-CB 4.47Å; M105-T113 PolarHBondContact O-OG1 2.73Å; M105-V118 HydrophobicContact CE-CG1 4.39Å; M105-V118 HydrophobicContact SD-CG1 3.89Å; M105-L120 HydrophobicContact CE-CD2 4.06Å
106	F	89.7	Confident	85.5	Confident	15 Å²	15	69.9 Å²	69.9	7%	0.066	40%	0.396	C	S	.	.	H	α-helix	trans	-96.6	-20.5	-171.4	-60.5	-32.4	0	0	0	114.4	V77 L79 R92 L95 S96 F102 S103 T113 V118	V77-F106 HydrophobicContact CG1-CZ 4.37Å; V77-F106 HydrophobicContact CG2-CE1 4.39Å; V77-F106 HydrophobicContact CG2-CZ 4.17Å; L79-F106 HydrophobicContact CD2-CZ 4.39Å; R92-F106 HydrophobicContact CB-CD2 3.9Å; R92-F106 HydrophobicContact CB-CE2 4.24Å; R92-F106 HydrophobicContact CB-CG 4.36Å; R92-F106 HydrophobicContact CG-CD1 4.49Å; R92-F106 HydrophobicContact CG-CD2 3.96Å; R92-F106 HydrophobicContact CG-CE2 4.03Å; R92-F106 HydrophobicContact CG-CG 4.2Å; R92-F106 HydrophobicContact CG-CZ 4.29Å; L95-F106 HydrophobicContact CB-CE2 4.15Å; L95-F106 HydrophobicContact CD1-CE2 4.05Å; S96-F106 WeakPolarHBondContact OG-CD2 3.45Å; F102-F106 HydrophobicContact CB-CD2 4.19Å; F102-F106 HydrophobicContact CB-CE2 4.05Å; F102-F106 HydrophobicContact CD1-CE2 4.01Å; F102-F106 HydrophobicContact CD1-CZ 4.14Å; F102-F106 HydrophobicContact CG-CE2 4.29Å; F102-F106 WeakPolarHBondContact O-CB 3.15Å; F102-F106 WeakPolarHBondContact O-CD2 3.44Å; F102-F106 WeakPolarHBondContact O-CG 3.47Å; F102-F106 PolarHBondContact O-N 2.9Å; S103-F106 PolarHBondContact O-N 3.23Å; F106-T113 WeakPolarHBondContact O-CG2 3.38Å; F106-V118 HydrophobicContact CE1-CG2 4.45Å
107	T	85.4	Confident	85.4	Confident	105 Å²	105	73 Å²	73	64%	0.644	41%	0.409	S	S	*	.	H	α-helix	trans	-99.9	-12.7	176	68.8	0	0	0	0	113.1	S103	S103-T107 VanDerWaalsContact O-CB 3.31Å; S103-T107 WeakPolarHBondContact O-CB 3.44Å; S103-T107 WeakPolarHBondContact O-CG2 3.42Å; S103-T107 PolarHBondContact O-N 2.59Å; S103-T107 PolarHBondContact O-OG1 3.25Å
108	G	79.2	Confident	85.3	Confident	28 Å²	28	69.2 Å²	69.2	29%	0.289	38%	0.376	S	S	.	.	S	Bend	trans	-75.9	178.5	177.1	0	0	0	0	0	114.1	A104 L110 T113	A104-G108 WeakPolarHBondContact O-CA 3.37Å; A104-G108 PolarHBondContact O-N 2.94Å; A104-G108 VanDerWaalsContact O-N 3.09Å; G108-L110 PolarHBondContact O-N 3.21Å; G108-T113 PolarHBondContact O-OG1 3.3Å
109	S	73.6	Confident	85.2	Confident	136 Å²	136	71.3 Å²	71.3	95%	0.951	39%	0.387	S	S	*	.	S	Bend	trans	-84.9	21.3	175	-47.6	0	0	0	0	113.4
110	L	74.8	Confident	85	Confident	98 Å²	98	71.3 Å²	71.3	51%	0.513	39%	0.387	S	S	.	.	S	Bend	trans	-77.3	160.4	-177.7	-66.7	175.7	0	0	0	111.1	G108 E112 T113	G108-L110 PolarHBondContact O-N 3.21Å; L110-E112 VanDerWaalsContact C-N 3.28Å; L110-E112 WeakPolarHBondContact CB-OE2 3.46Å; L110-E112 PolarHBondContact O-N 2.78Å; L110-T113 VanDerWaalsContact O-CB 3.3Å; L110-T113 WeakPolarHBondContact O-CB 3.25Å; L110-T113 PolarHBondContact O-N 2.97Å; L110-T113 PolarHBondContact O-OG1 3.43Å; L110-T113 VanDerWaalsContact O-OG1 3.08Å
111	R	72.4	Confident	84.6	Confident	191 Å²	191	71.1 Å²	71.1	72%	0.721	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-68.6	-34.9	-175	-178.1	176.3	163	171.6	-3.5	110.9	T113 K114 E115	R111-T113 PolarHBondContact O-N 2.99Å; R111-T113 VanDerWaalsContact O-N 3.12Å; R111-K114 PolarHBondContact O-N 3.05Å; R111-E115 HydrophobicContact CG-CG 4.46Å; R111-E115 IonicContact CZ-OE1 3.41Å; R111-E115 IonicContact NE-OE1 2.75Å; R111-E115 PolarHBondContact NE-OE1 2.93Å; R111-E115 IonicContact NH2-OE1 3.84Å; R111-E115 PolarHBondContact NH2-OE1 3.05Å
112	E	74.9	Confident	84.3	Confident	64 Å²	64	76.1 Å²	76.1	30%	0.299	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-57.7	-20.9	177.2	-63.1	85.7	161.4	0	0	112.6	R92 M105 L110 K114 E115 V118	R92-E112 PolarHBondContact NH1-O 3.19Å; R92-E112 PolarHBondContact NH2-O 3.06Å; M105-E112 HydrophobicContact CG-CB 3.91Å; M105-E112 HydrophobicContact CG-CG 4.48Å; M105-E112 HydrophobicContact SD-CB 4.47Å; L110-E112 VanDerWaalsContact C-N 3.28Å; L110-E112 WeakPolarHBondContact CB-OE2 3.46Å; L110-E112 PolarHBondContact O-N 2.78Å; E112-K114 PolarHBondContact O-N 3.49Å; E112-E115 PolarHBondContact O-N 3.02Å; E112-V118 HydrophobicContact CB-CG1 4.47Å; E112-V118 HydrophobicContact CB-CG2 4.2Å; E112-V118 HydrophobicContact CG-CG1 4.07Å; E112-V118 HydrophobicContact CG-CG2 4.49Å
113	T	74.6	Confident	84.3	Confident	47 Å²	47	76 Å²	76	29%	0.288	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-59.5	-29.7	172.3	-55.7	0	0	0	0	112	R92 M105 F106 G108 L110 R111	R92-T113 PolarHBondContact NH1-O 3.27Å; M105-T113 PolarHBondContact O-OG1 2.73Å; F106-T113 WeakPolarHBondContact O-CG2 3.38Å; G108-T113 PolarHBondContact O-OG1 3.3Å; L110-T113 VanDerWaalsContact O-CB 3.3Å; L110-T113 WeakPolarHBondContact O-CB 3.25Å; L110-T113 PolarHBondContact O-N 2.97Å; L110-T113 PolarHBondContact O-OG1 3.43Å; L110-T113 VanDerWaalsContact O-OG1 3.08Å; R111-T113 PolarHBondContact O-N 2.99Å; R111-T113 VanDerWaalsContact O-N 3.12Å
114	K	76.6	Confident	84.3	Confident	193 Å²	193	77.7 Å²	77.7	84%	0.839	42%	0.419	S	S	*	.	S	Bend	trans	-108.7	-6.5	-176.2	-63.1	-177.5	-178.1	177.7	0	114.2	R111 E112	R111-K114 PolarHBondContact O-N 3.05Å; E112-K114 PolarHBondContact O-N 3.49Å
115	E	84.4	Confident	84.4	Confident	62 Å²	62	74.9 Å²	74.9	29%	0.29	40%	0.395	S	S	.	.			trans	-87.2	135.3	-175.3	-65.3	-168.5	161.3	0	0	112	R92 R111 E112 E117	R92-E115 PolarHBondContact NH2-O 2.93Å; R111-E115 HydrophobicContact CG-CG 4.46Å; R111-E115 IonicContact CZ-OE1 3.41Å; R111-E115 IonicContact NE-OE1 2.75Å; R111-E115 PolarHBondContact NE-OE1 2.93Å; R111-E115 IonicContact NH2-OE1 3.84Å; R111-E115 PolarHBondContact NH2-OE1 3.05Å; E112-E115 PolarHBondContact O-N 3.02Å; E115-E117 VanDerWaalsContact C-N 3.28Å
116	Q	85.6	Confident	84.6	Confident	133 Å²	133	79 Å²	79	62%	0.621	42%	0.418	S	S	*	.	S	Bend	trans	-74.2	-24.1	176	-74.9	-77.8	-31.3	0	0	112	V78	V78-Q116 PolarHBondContact N-O 3.08Å
117	E	91.3	Very high	84.8	Confident	89 Å²	89	78.5 Å²	78.5	42%	0.416	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.7	179	-56.8	-167.2	149.6	0	0	109.6	V78 I80 R87 E115	V78-E117 HydrophobicContact CB-CG 4.36Å; V78-E117 CarbonylContact O-C 3.57Å; V78-E117 VanDerWaalsContact O-CA 3.31Å; V78-E117 WeakPolarHBondContact O-CA 3.49Å; I80-E117 HydrophobicContact CD1-CB 4.03Å; R87-E117 IonicContact CZ-OE1 3.2Å; R87-E117 IonicContact NE-OE1 2.81Å; R87-E117 IonicContact NH2-OE1 2.83Å; R87-E117 PolarHBondContact NH2-OE1 3.27Å; E115-E117 VanDerWaalsContact C-N 3.28Å
118	V	91.6	Very high	85.3	Confident	4 Å²	4	73.5 Å²	73.5	2%	0.024	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.8	-179.1	178.6	0	0	0	0	109.3	V77 V78 L79 I80 M105 F106 E112	V77-V118 HydrophobicContact CG2-CG2 4.11Å; V78-V118 PolarHBondContact O-N 3.11Å; L79-V118 CarbonylContact C-O 3.57Å; L79-V118 WeakPolarHBondContact CA-O 3.25Å; L79-V118 HydrophobicContact CD2-CB 4.13Å; I80-V118 PolarHBondContact N-O 2.6Å; M105-V118 HydrophobicContact CE-CG1 4.39Å; M105-V118 HydrophobicContact SD-CG1 3.89Å; F106-V118 HydrophobicContact CE1-CG2 4.45Å; E112-V118 HydrophobicContact CB-CG1 4.47Å; E112-V118 HydrophobicContact CB-CG2 4.2Å; E112-V118 HydrophobicContact CG-CG1 4.07Å; E112-V118 HydrophobicContact CG-CG2 4.49Å
119	T	91.2	Very high	86	Confident	93 Å²	93	76.1 Å²	76.1	57%	0.571	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.8	-179.9	-51.8	0	0	0	0	111.5	I80	I80-T119 HydrophobicContact CB-CG2 4.46Å; I80-T119 CarbonylContact O-C 3.59Å; I80-T119 WeakPolarHBondContact O-CA 3.25Å
120	L	90.8	Very high	87	Confident	5 Å²	5	71 Å²	71	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	99.7	176.7	-61.7	177.3	0	0	0	109.5	L79 I80 G82 Y101 F102 M105 E122 V123 L128 L157	L79-L120 HydrophobicContact CD1-CD1 4.39Å; I80-L120 PolarHBondContact O-N 3.21Å; G82-L120 VanDerWaalsContact CA-O 3.31Å; G82-L120 WeakPolarHBondContact CA-O 3.48Å; G82-L120 PolarHBondContact N-O 2.9Å; Y101-L120 HydrophobicContact CE1-CD2 4.22Å; F102-L120 HydrophobicContact CE1-CD1 4.49Å; F102-L120 HydrophobicContact CZ-CD1 4.49Å; M105-L120 HydrophobicContact CE-CD2 4.06Å; L120-E122 PolarHBondContact O-N 3.43Å; L120-V123 HydrophobicContact CB-CB 4.11Å; L120-V123 HydrophobicContact CB-CG2 3.92Å; L120-L128 HydrophobicContact CD1-CD1 3.7Å; L120-L128 HydrophobicContact CD1-CD2 4.16Å; L120-L157 HydrophobicContact CD1-CD2 4.35Å
121	G	84.8	Confident	88	Confident	53 Å²	53	66.4 Å²	66.4	55%	0.546	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-48.5	-168.1	0	0	0	0	0	115.7	V123	G121-V123 PolarHBondContact O-N 3.42Å
122	E	85.2	Confident	89.1	Confident	165 Å²	165	57.5 Å²	57.5	77%	0.771	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	27.7	-169.8	-59.4	-173.9	164.9	0	0	113.6	L120	L120-E122 PolarHBondContact O-N 3.43Å
123	V	92.8	Very high	90	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.298	C	S	.	.			trans	-121.5	134.2	-171.2	179.6	0	0	0	0	112.1	A81 I83 L120 G121 L128 T153 L156	A81-V123 WeakPolarHBondContact CB-O 3.38Å; I83-V123 PolarHBondContact N-O 3.41Å; L120-V123 HydrophobicContact CB-CB 4.11Å; L120-V123 HydrophobicContact CB-CG2 3.92Å; G121-V123 PolarHBondContact O-N 3.42Å; V123-L128 HydrophobicContact CG1-CB 3.71Å; V123-L128 HydrophobicContact CG1-CD1 4.31Å; V123-L128 HydrophobicContact CG1-CD2 4.44Å; V123-L128 HydrophobicContact CG1-CG 4.37Å; V123-T153 HydrophobicContact CB-CG2 4.36Å; V123-T153 HydrophobicContact CG1-CG2 3.44Å; V123-T153 VanDerWaalsContact CG1-CG2 3.44Å; V123-T153 HydrophobicContact CG2-CG2 4.06Å; V123-L156 HydrophobicContact CG2-CD2 3.51Å
124	H	92.1	Very high	91	Very high	77 Å²	77	58.3 Å²	58.3	36%	0.356	29%	0.294	S	S	.	.			trans	-79.7	139.4	168.6	-78.6	-80.4	0	0	0	111.5	D126 A127 L128	H124-D126 PolarHBondContact O-N 3.43Å; H124-A127 HydrophobicContact CB-CB 4.47Å; H124-A127 PolarHBondContact O-N 3.41Å; H124-L128 WeakPolarHBondContact O-CB 3.48Å; H124-L128 PolarHBondContact O-N 3.17Å
125	G	92.3	Very high	91.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-38	-176.2	0	0	0	0	0	114.4	A81 D84 K86 L128 H129	A81-G125 VanDerWaalsContact CB-CA 3.45Å; D84-G125 WeakPolarHBondContact OD1-CA 3.47Å; D84-G125 PolarHBondContact OD1-N 2.93Å; D84-G125 WeakPolarHBondContact OD2-CA 3.25Å; D84-G125 PolarHBondContact OD2-N 2.93Å; K86-G125 VanDerWaalsContact CD-C 3.49Å; G125-L128 PolarHBondContact O-N 2.72Å; G125-H129 VanDerWaalsContact O-CB 3.3Å; G125-H129 WeakPolarHBondContact O-CB 3.44Å; G125-H129 PolarHBondContact O-N 2.84Å
126	D	92.7	Very high	92.4	Very high	101 Å²	101	47 Å²	47	54%	0.54	25%	0.245	S	C	.	.	H	α-helix	trans	-67.7	-44.2	179.1	-69.5	-24.6	0	0	0	112.1	K86 H124 H129 L130	K86-D126 IonicContact NZ-OD1 3.35Å; K86-D126 PolarHBondContact NZ-OD1 3.03Å; H124-D126 PolarHBondContact O-N 3.43Å; D126-H129 PolarHBondContact O-N 3.44Å; D126-L130 WeakPolarHBondContact O-CG 3.5Å; D126-L130 PolarHBondContact O-N 3.26Å
127	A	94.7	Very high	92.7	Very high	5 Å²	5	43.1 Å²	43.1	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-44	174.4	0	0	0	0	0	111.4	H124 H129 L130 L131 L150 T153	H124-A127 HydrophobicContact CB-CB 4.47Å; H124-A127 PolarHBondContact O-N 3.41Å; A127-H129 VanDerWaalsContact C-N 3.34Å; A127-H129 PolarHBondContact O-N 3.12Å; A127-L130 PolarHBondContact O-N 3.15Å; A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 VanDerWaalsContact O-CG 3.27Å; A127-L131 WeakPolarHBondContact O-CG 3.47Å; A127-L131 PolarHBondContact O-N 3.05Å; A127-L150 HydrophobicContact CB-CD1 4.34Å; A127-T153 HydrophobicContact CB-CG2 4.41Å
128	L	95.4	Very high	92.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-46.6	176	-176.8	58.1	0	0	0	111.8	L79 A81 V88 L120 V123 H124 G125 L131 V132 L157	L79-L128 HydrophobicContact CB-CD2 3.98Å; L79-L128 HydrophobicContact CD1-CD1 4.08Å; A81-L128 HydrophobicContact CB-CD2 4.08Å; V88-L128 HydrophobicContact CG2-CD2 4.16Å; V88-L128 HydrophobicContact CG2-CG 4.22Å; L120-L128 HydrophobicContact CD1-CD1 3.7Å; L120-L128 HydrophobicContact CD1-CD2 4.16Å; V123-L128 HydrophobicContact CG1-CB 3.71Å; V123-L128 HydrophobicContact CG1-CD1 4.31Å; V123-L128 HydrophobicContact CG1-CD2 4.44Å; V123-L128 HydrophobicContact CG1-CG 4.37Å; H124-L128 WeakPolarHBondContact O-CB 3.48Å; H124-L128 PolarHBondContact O-N 3.17Å; G125-L128 PolarHBondContact O-N 2.72Å; L128-L131 PolarHBondContact O-N 3.47Å; L128-V132 HydrophobicContact CD1-CG2 4.19Å; L128-V132 HydrophobicContact CG-CG2 4.47Å; L128-V132 WeakPolarHBondContact O-CB 3.32Å; L128-V132 VanDerWaalsContact O-CG2 3.29Å; L128-V132 WeakPolarHBondContact O-CG2 3.29Å; L128-V132 PolarHBondContact O-N 3.29Å; L128-L157 HydrophobicContact CD1-CD1 4.13Å
129	H	94.3	Very high	92.8	Very high	83 Å²	83	48.3 Å²	48.3	38%	0.384	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-45.7	-179.9	-176.2	68.8	0	0	0	111.8	V88 G125 D126 A127 L131 V132 Q133	V88-H129 HydrophobicContact CG2-CB 4.23Å; G125-H129 VanDerWaalsContact O-CB 3.3Å; G125-H129 WeakPolarHBondContact O-CB 3.44Å; G125-H129 PolarHBondContact O-N 2.84Å; D126-H129 PolarHBondContact O-N 3.44Å; A127-H129 VanDerWaalsContact C-N 3.34Å; A127-H129 PolarHBondContact O-N 3.12Å; H129-L131 PolarHBondContact O-N 3.43Å; H129-V132 PolarHBondContact O-N 3.4Å; H129-Q133 WeakPolarHBondContact O-CB 3.43Å; H129-Q133 PolarHBondContact O-N 2.82Å
130	L	95.1	Very high	93	Very high	28 Å²	28	45.1 Å²	45.1	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-41.2	176.9	-73.5	170.7	0	0	0	112.4	D126 A127 Q133 Y134 L150	D126-L130 WeakPolarHBondContact O-CG 3.5Å; D126-L130 PolarHBondContact O-N 3.26Å; A127-L130 PolarHBondContact O-N 3.15Å; L130-Q133 PolarHBondContact O-N 2.94Å; L130-Y134 WeakPolarHBondContact O-CB 3.39Å; L130-Y134 PolarHBondContact O-N 3.1Å; L130-L150 HydrophobicContact CB-CD1 4.32Å
131	L	96.3	Very high	93.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-71.7	-36.9	179.5	-67.8	170.8	0	0	0	112.5	A127 L128 H129 Y134 C135 I140 L150 T153 A154 L157 L159 V162	A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 VanDerWaalsContact O-CG 3.27Å; A127-L131 WeakPolarHBondContact O-CG 3.47Å; A127-L131 PolarHBondContact O-N 3.05Å; L128-L131 PolarHBondContact O-N 3.47Å; H129-L131 PolarHBondContact O-N 3.43Å; L131-Y134 WeakPolarHBondContact O-CB 3.44Å; L131-Y134 PolarHBondContact O-N 3.32Å; L131-C135 PolarHBondContact O-N 2.95Å; L131-C135 PolarHBondContact O-SG 2.84Å; L131-I140 HydrophobicContact CD2-CD1 3.77Å; L131-L150 HydrophobicContact CD1-CD1 4.22Å; L131-L150 HydrophobicContact CD2-CD1 3.82Å; L131-L150 HydrophobicContact CG-CD1 3.77Å; L131-T153 HydrophobicContact CD1-CG2 3.42Å; L131-T153 VanDerWaalsContact CD1-CG2 3.42Å; L131-A154 HydrophobicContact CD1-CB 4.23Å; L131-A154 HydrophobicContact CD2-CB 3.97Å; L131-L157 HydrophobicContact CB-CD1 4.45Å; L131-L157 HydrophobicContact CD1-CD1 4.03Å; L131-L159 HydrophobicContact CB-CD1 3.95Å; L131-L159 HydrophobicContact CD2-CD1 3.83Å; L131-L159 HydrophobicContact CG-CD1 4.31Å; L131-V162 HydrophobicContact CD2-CB 4.34Å; L131-V162 HydrophobicContact CD2-CG1 3.77Å; L131-V162 HydrophobicContact CD2-CG2 4.32Å
132	V	94.9	Very high	93.4	Very high	5 Å²	5	50 Å²	50	3%	0.03	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-46.8	171.7	171.4	0	0	0	0	109.6	L79 V88 A90 L95 L128 H129 Y134 C135 Y136	L79-V132 HydrophobicContact CD1-CG2 4.02Å; V88-V132 HydrophobicContact CG1-CB 3.98Å; V88-V132 HydrophobicContact CG1-CG1 3.95Å; V88-V132 HydrophobicContact CG1-CG2 3.97Å; A90-V132 HydrophobicContact CB-CG1 4.06Å; L95-V132 HydrophobicContact CD2-CG1 4.41Å; L95-V132 HydrophobicContact CD2-CG2 4.22Å; L128-V132 HydrophobicContact CD1-CG2 4.19Å; L128-V132 HydrophobicContact CG-CG2 4.47Å; L128-V132 WeakPolarHBondContact O-CB 3.32Å; L128-V132 VanDerWaalsContact O-CG2 3.29Å; L128-V132 WeakPolarHBondContact O-CG2 3.29Å; L128-V132 PolarHBondContact O-N 3.29Å; H129-V132 PolarHBondContact O-N 3.4Å; V132-Y134 VanDerWaalsContact C-N 3.29Å; V132-Y134 PolarHBondContact O-N 3.36Å; V132-C135 VanDerWaalsContact O-CB 3.31Å; V132-C135 WeakPolarHBondContact O-CB 3.27Å; V132-C135 PolarHBondContact O-N 3.46Å; V132-Y136 HydrophobicContact CG1-CD2 4.46Å; V132-Y136 HydrophobicContact CG1-CE2 3.99Å; V132-Y136 WeakPolarHBondContact O-CD2 3.5Å
133	Q	94.1	Very high	93.7	Very high	78 Å²	78	47.2 Å²	47.2	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-42	176.5	-172.4	179.9	4.7	0	0	111.6	H129 L130 C135 Y136 T137	H129-Q133 WeakPolarHBondContact O-CB 3.43Å; H129-Q133 PolarHBondContact O-N 2.82Å; L130-Q133 PolarHBondContact O-N 2.94Å; Q133-C135 VanDerWaalsContact C-N 3.26Å; Q133-C135 PolarHBondContact O-N 3.18Å; Q133-Y136 PolarHBondContact O-N 2.76Å; Q133-T137 HydrophobicContact CG-CG2 4.01Å; Q133-T137 WeakPolarHBondContact O-CG2 3.35Å; Q133-T137 PolarHBondContact O-N 3.06Å; Q133-T137 PolarHBondContact O-OG1 3.09Å; Q133-T137 VanDerWaalsContact O-OG1 3.07Å
134	Y	95.7	Very high	93.5	Very high	50 Å²	50	53.9 Å²	53.9	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-56	-37.3	174	166.2	-96.7	0	0	0	112.8	L130 L131 V132 Y136 T137 G138 I140 L159 A161 V162	L130-Y134 WeakPolarHBondContact O-CB 3.39Å; L130-Y134 PolarHBondContact O-N 3.1Å; L131-Y134 WeakPolarHBondContact O-CB 3.44Å; L131-Y134 PolarHBondContact O-N 3.32Å; V132-Y134 VanDerWaalsContact C-N 3.29Å; V132-Y134 PolarHBondContact O-N 3.36Å; Y134-Y136 PolarHBondContact O-N 3.41Å; Y134-T137 PolarHBondContact O-N 3.06Å; Y134-G138 WeakPolarHBondContact O-CA 3.4Å; Y134-G138 PolarHBondContact O-N 2.88Å; Y134-I140 HydrophobicContact CD2-CB 4.14Å; Y134-L159 HydrophobicContact CE1-CD2 4.4Å; Y134-A161 WeakPolarHBondContact OH-CB 3.18Å; Y134-V162 HydrophobicContact CD1-CG2 3.59Å; Y134-V162 HydrophobicContact CD2-CG2 3.99Å; Y134-V162 HydrophobicContact CE1-CG2 3.4Å; Y134-V162 VanDerWaalsContact CE1-CG2 3.4Å; Y134-V162 HydrophobicContact CE2-CG2 3.82Å; Y134-V162 HydrophobicContact CG-CG2 3.88Å
135	C	95.2	Very high	93.3	Very high	10 Å²	10	56.4 Å²	56.4	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-23.7	177	-61.8	0	0	0	0	112.9	V94 L95 L131 V132 Q133	V94-C135 HydrophobicContact CG1-CB 4.18Å; L95-C135 HydrophobicContact CD2-CB 4.35Å; L131-C135 PolarHBondContact O-N 2.95Å; L131-C135 PolarHBondContact O-SG 2.84Å; V132-C135 VanDerWaalsContact O-CB 3.31Å; V132-C135 WeakPolarHBondContact O-CB 3.27Å; V132-C135 PolarHBondContact O-N 3.46Å; Q133-C135 VanDerWaalsContact C-N 3.26Å; Q133-C135 PolarHBondContact O-N 3.18Å
136	Y	94.3	Very high	93.2	Very high	8 Å²	8	58.1 Å²	58.1	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-95.8	-34.2	176.6	-66.8	-86.6	0	0	0	113.1	M65 V69 H91 V94 V132 Q133 Y134	M65-Y136 HydrophobicContact CB-CD1 3.98Å; M65-Y136 HydrophobicContact CB-CE1 3.99Å; V69-Y136 HydrophobicContact CG2-CD1 4.37Å; V69-Y136 HydrophobicContact CG2-CE1 3.63Å; V69-Y136 HydrophobicContact CG2-CE2 3.84Å; V69-Y136 WeakPolarHBondContact CG2-OH 3.21Å; H91-Y136 WeakPolarHBondContact CB-OH 3.35Å; H91-Y136 PolarHBondContact N-OH 2.89Å; H91-Y136 AromaticContact ND1-CE1 3.88Å; H91-Y136 AromaticContact ND1-CZ 3.81Å; H91-Y136 PolarHBondContact ND1-OH 2.95Å; V94-Y136 HydrophobicContact CB-CE1 3.87Å; V94-Y136 HydrophobicContact CG1-CD1 3.95Å; V94-Y136 HydrophobicContact CG1-CD2 4.47Å; V94-Y136 HydrophobicContact CG1-CE1 3.67Å; V94-Y136 HydrophobicContact CG1-CE2 4.2Å; V94-Y136 HydrophobicContact CG1-CG 4.32Å; V94-Y136 HydrophobicContact CG2-CD1 4.44Å; V94-Y136 HydrophobicContact CG2-CE1 3.69Å; V132-Y136 HydrophobicContact CG1-CD2 4.46Å; V132-Y136 HydrophobicContact CG1-CE2 3.99Å; V132-Y136 WeakPolarHBondContact O-CD2 3.5Å; Q133-Y136 PolarHBondContact O-N 2.76Å; Y134-Y136 PolarHBondContact O-N 3.41Å
137	T	92.9	Very high	93.2	Very high	50 Å²	50	53.3 Å²	53.3	31%	0.307	27%	0.27	S	S	.	.	H	α-helix	trans	-101.4	-25.1	-170.4	62	0	0	0	0	113.9	Q133 Y134 F139	Q133-T137 HydrophobicContact CG-CG2 4.01Å; Q133-T137 WeakPolarHBondContact O-CG2 3.35Å; Q133-T137 PolarHBondContact O-N 3.06Å; Q133-T137 PolarHBondContact O-OG1 3.09Å; Q133-T137 VanDerWaalsContact O-OG1 3.07Å; Y134-T137 PolarHBondContact O-N 3.06Å; T137-F139 PolarHBondContact O-N 3.38Å; T137-F139 PolarHBondContact OG1-N 2.65Å; T137-F139 PolarHBondContact OG1-O 2.92Å; T137-F139 VanDerWaalsContact OG1-O 3.09Å
138	G	91.5	Very high	93	Very high	58 Å²	58	57.3 Å²	57.3	60%	0.598	29%	0.288	S	S	*	.	S	Bend	trans	66.4	7.8	-165.3	0	0	0	0	0	114.1	Y134	Y134-G138 WeakPolarHBondContact O-CA 3.4Å; Y134-G138 PolarHBondContact O-N 2.88Å
139	F	93.1	Very high	92.9	Very high	145 Å²	145	60 Å²	60	64%	0.636	30%	0.304	S	S	*	.			trans	-117.9	139.1	-176.5	178.9	-92.5	0	0	0	110.6	T137	T137-F139 PolarHBondContact O-N 3.38Å; T137-F139 PolarHBondContact OG1-N 2.65Å; T137-F139 PolarHBondContact OG1-O 2.92Å; T137-F139 VanDerWaalsContact OG1-O 3.09Å
140	I	94.8	Very high	93	Very high	26 Å²	26	56.1 Å²	56.1	13%	0.133	29%	0.287	C	S	.	.			trans	-141.3	133.5	177.8	-159.6	165.2	0	0	0	111	L131 Y134 L150 V162	L131-I140 HydrophobicContact CD2-CD1 3.77Å; Y134-I140 HydrophobicContact CD2-CB 4.14Å; I140-L150 HydrophobicContact CD1-CD1 3.97Å; I140-L150 HydrophobicContact CD1-CD2 3.92Å; I140-L150 HydrophobicContact CD1-CG 4.35Å; I140-L150 HydrophobicContact CG1-CD2 4.3Å; I140-V162 HydrophobicContact CD1-CG1 3.62Å; I140-V162 HydrophobicContact CD1-CG2 4.28Å
141	E	92.1	Very high	92.9	Very high	96 Å²	96	54.8 Å²	54.8	45%	0.449	28%	0.28	S	S	.	.			trans	-86.5	128.8	173.3	-171.4	-169.9	160.5	0	0	109.1	R143	E141-R143 VanDerWaalsContact CD-NH1 3.3Å; E141-R143 HydrophobicContact CG-CG 4.36Å; E141-R143 WeakPolarHBondContact OE1-CD 3.31Å; E141-R143 IonicContact OE1-CZ 3.49Å; E141-R143 IonicContact OE1-NE 2.65Å; E141-R143 IonicContact OE1-NH1 2.64Å; E141-R143 PolarHBondContact OE1-NH1 3.46Å; E141-R143 IonicContact OE2-NH1 3.95Å; E141-R143 PolarHBondContact OE2-NH1 3Å
142	M	92.4	Very high	92.7	Very high	63 Å²	63	55.9 Å²	55.9	31%	0.31	29%	0.289	S	S	.	.			trans	-112	127.4	176.6	-66	176.9	-73.9	0	0	109.1	L150 A165 F169	M142-L150 HydrophobicContact CG-CD2 4.41Å; M142-A165 HydrophobicContact CE-CB 4.31Å; M142-A165 HydrophobicContact SD-CB 4.06Å; M142-F169 HydrophobicContact CB-CD2 4.25Å; M142-F169 HydrophobicContact CB-CE2 4.4Å; M142-F169 HydrophobicContact CB-CG 4.41Å; M142-F169 HydrophobicContact SD-CB 4.05Å; M142-F169 HydrophobicContact SD-CG 4.47Å
143	R	91.8	Very high	92.7	Very high	107 Å²	107	56 Å²	56	40%	0.404	29%	0.29	S	S	.	.			trans	-125.3	150	177.6	-59.4	-174	-82.1	-119.3	5.4	110.5	E141 D145 T146 V147	E141-R143 VanDerWaalsContact CD-NH1 3.3Å; E141-R143 HydrophobicContact CG-CG 4.36Å; E141-R143 WeakPolarHBondContact OE1-CD 3.31Å; E141-R143 IonicContact OE1-CZ 3.49Å; E141-R143 IonicContact OE1-NE 2.65Å; E141-R143 IonicContact OE1-NH1 2.64Å; E141-R143 PolarHBondContact OE1-NH1 3.46Å; E141-R143 IonicContact OE2-NH1 3.95Å; E141-R143 PolarHBondContact OE2-NH1 3Å; R143-D145 VanDerWaalsContact C-N 3.27Å; R143-D145 WeakPolarHBondContact CB-OD1 3.41Å; R143-D145 PolarHBondContact O-N 2.88Å; R143-T146 PolarHBondContact O-N 3.4Å; R143-V147 VanDerWaalsContact O-CB 3.29Å; R143-V147 WeakPolarHBondContact O-CB 3.49Å; R143-V147 PolarHBondContact O-N 3.44Å
144	E	87.3	Confident	92.7	Very high	140 Å²	140	52.2 Å²	52.2	65%	0.654	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-34.8	-174.6	-54.1	-167.5	155.5	0	0	112.9	F169 Q173	E144-F169 HydrophobicContact CG-CE1 4.3Å; E144-F169 HydrophobicContact CG-CZ 4.04Å; E144-Q173 PolarHBondContact OE1-NE2 3.36Å
145	D	88.3	Confident	92.5	Very high	130 Å²	130	51.4 Å²	51.4	70%	0.695	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-16	-177.3	62.5	-15.4	0	0	0	114.4	R143	R143-D145 VanDerWaalsContact C-N 3.27Å; R143-D145 WeakPolarHBondContact CB-OD1 3.41Å; R143-D145 PolarHBondContact O-N 2.88Å
146	T	90.7	Very high	92.4	Very high	37 Å²	37	54 Å²	54	23%	0.227	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-6.7	-171.3	47.5	0	0	0	0	113.7	R143 E148 T149 L150	R143-T146 PolarHBondContact O-N 3.4Å; T146-E148 VanDerWaalsContact C-N 3.29Å; T146-E148 PolarHBondContact O-N 3Å; T146-T149 PolarHBondContact O-N 3.35Å; T146-T149 PolarHBondContact O-OG1 2.87Å; T146-L150 VanDerWaalsContact O-CB 3.29Å; T146-L150 WeakPolarHBondContact O-CB 3.5Å; T146-L150 PolarHBondContact O-N 3.42Å
147	V	92	Very high	92.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-32.1	-176.7	63.4	0	0	0	0	113.1	R143 L151 C166 F169 L170	R143-V147 VanDerWaalsContact O-CB 3.29Å; R143-V147 WeakPolarHBondContact O-CB 3.49Å; R143-V147 PolarHBondContact O-N 3.44Å; V147-L151 WeakPolarHBondContact O-CB 3.3Å; V147-L151 PolarHBondContact O-N 3.29Å; V147-C166 HydrophobicContact CG2-CB 3.95Å; V147-F169 HydrophobicContact CB-CD1 4.18Å; V147-F169 HydrophobicContact CB-CE1 4.28Å; V147-F169 HydrophobicContact CG1-CD1 4.13Å; V147-F169 HydrophobicContact CG1-CE1 4.09Å; V147-F169 HydrophobicContact CG2-CD1 3.86Å; V147-F169 HydrophobicContact CG2-CE1 4.46Å; V147-L170 HydrophobicContact CG1-CD2 3.57Å; V147-L170 HydrophobicContact CG1-CG 4.17Å; V147-L170 HydrophobicContact CG2-CD2 4.48Å; V147-L170 HydrophobicContact CG2-CG 4.17Å
148	E	91.6	Very high	92.4	Very high	89 Å²	89	56 Å²	56	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-67	-48.1	177.9	-66.2	-178.4	-175	0	0	111.4	T146 L150 L151 A152 F185	T146-E148 VanDerWaalsContact C-N 3.29Å; T146-E148 PolarHBondContact O-N 3Å; E148-L150 VanDerWaalsContact C-N 3.31Å; E148-L150 PolarHBondContact O-N 3.12Å; E148-L151 PolarHBondContact O-N 3.2Å; E148-A152 WeakPolarHBondContact O-CB 3.42Å; E148-A152 PolarHBondContact O-N 3.42Å; E148-F185 HydrophobicContact CB-CE2 4.07Å; E148-F185 HydrophobicContact CB-CZ 3.99Å; E148-F185 HydrophobicContact CG-CZ 4.48Å; E148-F185 WeakPolarHBondContact O-CZ 3.44Å
149	T	93.1	Very high	92.6	Very high	55 Å²	55	53.5 Å²	53.5	34%	0.337	27%	0.265	S	S	.	.	H	α-helix	trans	-66.7	-36.4	177.2	57.4	0	0	0	0	111.5	T146 T153	T146-T149 PolarHBondContact O-N 3.35Å; T146-T149 PolarHBondContact O-OG1 2.87Å; T149-T153 WeakPolarHBondContact O-CB 3.46Å; T149-T153 PolarHBondContact O-N 2.99Å; T149-T153 PolarHBondContact O-OG1 3.43Å
150	L	94.9	Very high	92.6	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-45.8	174	-175.9	63.9	0	0	0	111.9	A127 L130 L131 I140 M142 T146 E148 T153 A154	A127-L150 HydrophobicContact CB-CD1 4.34Å; L130-L150 HydrophobicContact CB-CD1 4.32Å; L131-L150 HydrophobicContact CD1-CD1 4.22Å; L131-L150 HydrophobicContact CD2-CD1 3.82Å; L131-L150 HydrophobicContact CG-CD1 3.77Å; I140-L150 HydrophobicContact CD1-CD1 3.97Å; I140-L150 HydrophobicContact CD1-CD2 3.92Å; I140-L150 HydrophobicContact CD1-CG 4.35Å; I140-L150 HydrophobicContact CG1-CD2 4.3Å; M142-L150 HydrophobicContact CG-CD2 4.41Å; T146-L150 VanDerWaalsContact O-CB 3.29Å; T146-L150 WeakPolarHBondContact O-CB 3.5Å; T146-L150 PolarHBondContact O-N 3.42Å; E148-L150 VanDerWaalsContact C-N 3.31Å; E148-L150 PolarHBondContact O-N 3.12Å; L150-T153 PolarHBondContact O-N 3.07Å; L150-A154 VanDerWaalsContact O-CB 3.29Å; L150-A154 WeakPolarHBondContact O-CB 3.47Å; L150-A154 PolarHBondContact O-N 3.03Å
151	L	93.8	Very high	92.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-47	178.8	175.3	50.1	0	0	0	111.3	V147 E148 T153 A154 C155 V163 C166 L170 F185 L194	V147-L151 WeakPolarHBondContact O-CB 3.3Å; V147-L151 PolarHBondContact O-N 3.29Å; E148-L151 PolarHBondContact O-N 3.2Å; L151-T153 VanDerWaalsContact C-N 3.29Å; L151-T153 PolarHBondContact O-N 3.27Å; L151-A154 PolarHBondContact O-N 2.83Å; L151-C155 PolarHBondContact O-N 3.34Å; L151-V163 HydrophobicContact CD1-CB 4.16Å; L151-V163 HydrophobicContact CD1-CG1 3.84Å; L151-V163 HydrophobicContact CD1-CG2 4.23Å; L151-C166 HydrophobicContact CB-CB 3.9Å; L151-C166 HydrophobicContact CD1-CB 4.01Å; L151-C166 HydrophobicContact CD2-CB 4.18Å; L151-C166 HydrophobicContact CG-CB 4.26Å; L151-L170 HydrophobicContact CD2-CD1 3.61Å; L151-F185 HydrophobicContact CB-CE1 4.43Å; L151-F185 HydrophobicContact CB-CZ 4.46Å; L151-F185 HydrophobicContact CD2-CE1 3.73Å; L151-F185 HydrophobicContact CG-CE1 4.1Å; L151-F185 HydrophobicContact CG-CZ 4.45Å; L151-L194 HydrophobicContact CD2-CD2 4.36Å
152	A	92.8	Very high	92.7	Very high	25 Å²	25	49.4 Å²	49.4	21%	0.207	26%	0.262	C	S	.	.	H	α-helix	trans	-57.3	-44.7	176.4	0	0	0	0	0	111.6	E148 C155 L156 F185	E148-A152 WeakPolarHBondContact O-CB 3.42Å; E148-A152 PolarHBondContact O-N 3.42Å; A152-C155 PolarHBondContact O-N 3.18Å; A152-L156 PolarHBondContact O-N 2.96Å; A152-L156 VanDerWaalsContact O-N 3.08Å; A152-F185 HydrophobicContact CB-CZ 4.47Å
153	T	93.8	Very high	92.7	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-66.8	-41.2	177.3	-50.3	0	0	0	0	111.7	V123 A127 L131 T149 L150 L151 C155 L156 L157	V123-T153 HydrophobicContact CB-CG2 4.36Å; V123-T153 HydrophobicContact CG1-CG2 3.44Å; V123-T153 VanDerWaalsContact CG1-CG2 3.44Å; V123-T153 HydrophobicContact CG2-CG2 4.06Å; A127-T153 HydrophobicContact CB-CG2 4.41Å; L131-T153 HydrophobicContact CD1-CG2 3.42Å; L131-T153 VanDerWaalsContact CD1-CG2 3.42Å; T149-T153 WeakPolarHBondContact O-CB 3.46Å; T149-T153 PolarHBondContact O-N 2.99Å; T149-T153 PolarHBondContact O-OG1 3.43Å; L150-T153 PolarHBondContact O-N 3.07Å; L151-T153 VanDerWaalsContact C-N 3.29Å; L151-T153 PolarHBondContact O-N 3.27Å; T153-C155 VanDerWaalsContact C-N 3.33Å; T153-C155 PolarHBondContact O-N 3.46Å; T153-L156 PolarHBondContact O-N 3.25Å; T153-L157 HydrophobicContact CG2-CD1 4.01Å; T153-L157 HydrophobicContact CG2-CG 4.32Å; T153-L157 WeakPolarHBondContact O-CB 3.5Å; T153-L157 WeakPolarHBondContact O-CG 3.3Å; T153-L157 PolarHBondContact O-N 3.39Å
154	A	94.4	Very high	92.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-36.2	178.2	0	0	0	0	0	112.3	L131 L150 L151 L157 Q158 L159 V162 V163	L131-A154 HydrophobicContact CD1-CB 4.23Å; L131-A154 HydrophobicContact CD2-CB 3.97Å; L150-A154 VanDerWaalsContact O-CB 3.29Å; L150-A154 WeakPolarHBondContact O-CB 3.47Å; L150-A154 PolarHBondContact O-N 3.03Å; L151-A154 PolarHBondContact O-N 2.83Å; A154-L157 CarbonylContact O-C 3.57Å; A154-Q158 PolarHBondContact O-N 3.16Å; A154-L159 HydrophobicContact CB-CB 4.47Å; A154-L159 PolarHBondContact O-N 2.84Å; A154-V162 HydrophobicContact CB-CB 4.21Å; A154-V162 HydrophobicContact CB-CG1 3.97Å; A154-V163 HydrophobicContact CB-CG2 3.84Å
155	C	92.6	Very high	93.1	Very high	32 Å²	32	40.9 Å²	40.9	22%	0.216	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-49.7	172.9	-78.5	0	0	0	0	111.3	L151 A152 T153 L157 Q158 V163 C191	L151-C155 PolarHBondContact O-N 3.34Å; A152-C155 PolarHBondContact O-N 3.18Å; T153-C155 VanDerWaalsContact C-N 3.33Å; T153-C155 PolarHBondContact O-N 3.46Å; C155-L157 VanDerWaalsContact C-N 3.3Å; C155-L157 PolarHBondContact O-N 3.17Å; C155-Q158 PolarHBondContact O-N 2.92Å; C155-V163 HydrophobicContact CB-CG2 4.48Å; C155-C191 VanDerWaalsContact SG-SG 3.6Å
156	L	92.9	Very high	93.3	Very high	66 Å²	66	34.7 Å²	34.7	35%	0.346	21%	0.205	S	C	.	.	H	α-helix	trans	-56.8	-45.3	176.8	179.9	67.4	0	0	0	111.6	Y101 V123 A152 T153 Q158	Y101-L156 WeakPolarHBondContact CD2-O 3.29Å; V123-L156 HydrophobicContact CG2-CD2 3.51Å; A152-L156 PolarHBondContact O-N 2.96Å; A152-L156 VanDerWaalsContact O-N 3.08Å; T153-L156 PolarHBondContact O-N 3.25Å; L156-Q158 PolarHBondContact O-N 3.44Å
157	L	93.3	Very high	93.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	5	179.4	-59.8	-176.3	0	0	0	113.6	S99 Y101 F102 L120 L128 L131 T153 A154 C155 L159	S99-L157 WeakPolarHBondContact CB-O 3.47Å; S99-L157 PolarHBondContact OG-O 3.1Å; Y101-L157 HydrophobicContact CD1-CD2 3.6Å; Y101-L157 HydrophobicContact CE1-CD2 3.65Å; Y101-L157 HydrophobicContact CG-CD2 4.43Å; F102-L157 HydrophobicContact CE1-CD2 4.1Å; F102-L157 HydrophobicContact CE2-CD1 4.04Å; F102-L157 HydrophobicContact CE2-CD2 4.05Å; F102-L157 HydrophobicContact CE2-CG 4.44Å; F102-L157 HydrophobicContact CZ-CD1 3.95Å; F102-L157 HydrophobicContact CZ-CD2 3.56Å; F102-L157 HydrophobicContact CZ-CG 4.31Å; L120-L157 HydrophobicContact CD1-CD2 4.35Å; L128-L157 HydrophobicContact CD1-CD1 4.13Å; L131-L157 HydrophobicContact CB-CD1 4.45Å; L131-L157 HydrophobicContact CD1-CD1 4.03Å; T153-L157 HydrophobicContact CG2-CD1 4.01Å; T153-L157 HydrophobicContact CG2-CG 4.32Å; T153-L157 WeakPolarHBondContact O-CB 3.5Å; T153-L157 WeakPolarHBondContact O-CG 3.3Å; T153-L157 PolarHBondContact O-N 3.39Å; A154-L157 CarbonylContact O-C 3.57Å; C155-L157 VanDerWaalsContact C-N 3.3Å; C155-L157 PolarHBondContact O-N 3.17Å; L157-L159 VanDerWaalsContact C-N 3.28Å; L157-L159 HydrophobicContact CB-CD1 4.29Å; L157-L159 HydrophobicContact CB-CG 4.33Å; L157-L159 PolarHBondContact O-N 3.18Å
158	Q	94.2	Very high	93.4	Very high	97 Å²	97	37.1 Å²	37.1	45%	0.453	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	37.1	177.8	-57.4	-179.2	18.1	0	0	114.5	A154 C155 L156 N160	A154-Q158 PolarHBondContact O-N 3.16Å; C155-Q158 PolarHBondContact O-N 2.92Å; L156-Q158 PolarHBondContact O-N 3.44Å; Q158-N160 PolarHBondContact O-N 2.94Å
159	L	94.7	Very high	93.5	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	21%	0.206	C	C	.	.			trans	-89.8	72.5	177.3	-69.7	171.7	0	0	0	110.9	S98 L131 Y134 A154 L157 A161 V162 V163	S98-L159 WeakPolarHBondContact O-CD2 3.44Å; L131-L159 HydrophobicContact CB-CD1 3.95Å; L131-L159 HydrophobicContact CD2-CD1 3.83Å; L131-L159 HydrophobicContact CG-CD1 4.31Å; Y134-L159 HydrophobicContact CE1-CD2 4.4Å; A154-L159 HydrophobicContact CB-CB 4.47Å; A154-L159 PolarHBondContact O-N 2.84Å; L157-L159 VanDerWaalsContact C-N 3.28Å; L157-L159 HydrophobicContact CB-CD1 4.29Å; L157-L159 HydrophobicContact CB-CG 4.33Å; L157-L159 PolarHBondContact O-N 3.18Å; L159-A161 VanDerWaalsContact C-N 3.28Å; L159-A161 PolarHBondContact O-N 2.95Å; L159-A161 VanDerWaalsContact O-N 3.12Å; L159-V162 HydrophobicContact CB-CB 4.32Å; L159-V162 HydrophobicContact CB-CG2 4.31Å; L159-V162 PolarHBondContact O-N 3.44Å; L159-V163 WeakPolarHBondContact O-CG2 3.43Å; L159-V163 PolarHBondContact O-N 3.43Å
160	N	92.9	Very high	93.5	Very high	118 Å²	118	32.3 Å²	32.3	63%	0.631	19%	0.191	S	C	*	.	H	α-helix	trans	-55.3	-34.1	-169.6	-66.8	-33.5	0	0	0	115.3	Q158 V163 T164	Q158-N160 PolarHBondContact O-N 2.94Å; N160-V163 PolarHBondContact O-N 3.4Å; N160-T164 WeakPolarHBondContact O-CB 3.32Å; N160-T164 PolarHBondContact O-N 3.25Å; N160-T164 PolarHBondContact O-OG1 3.24Å
161	A	93.9	Very high	93.4	Very high	61 Å²	61	33.4 Å²	33.4	50%	0.504	20%	0.2	S	C	.	.	H	α-helix	trans	-66.3	-41.1	177.5	0	0	0	0	0	111.8	Y134 L159 T164 A165	Y134-A161 WeakPolarHBondContact OH-CB 3.18Å; L159-A161 VanDerWaalsContact C-N 3.28Å; L159-A161 PolarHBondContact O-N 2.95Å; L159-A161 VanDerWaalsContact O-N 3.12Å; A161-T164 PolarHBondContact O-N 3.32Å; A161-A165 PolarHBondContact O-N 3.27Å
162	V	94.7	Very high	93.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-70.5	-41.8	176	-178.5	0	0	0	0	110.7	L131 Y134 I140 A154 L159 T164 A165 C166	L131-V162 HydrophobicContact CD2-CB 4.34Å; L131-V162 HydrophobicContact CD2-CG1 3.77Å; L131-V162 HydrophobicContact CD2-CG2 4.32Å; Y134-V162 HydrophobicContact CD1-CG2 3.59Å; Y134-V162 HydrophobicContact CD2-CG2 3.99Å; Y134-V162 HydrophobicContact CE1-CG2 3.4Å; Y134-V162 VanDerWaalsContact CE1-CG2 3.4Å; Y134-V162 HydrophobicContact CE2-CG2 3.82Å; Y134-V162 HydrophobicContact CG-CG2 3.88Å; I140-V162 HydrophobicContact CD1-CG1 3.62Å; I140-V162 HydrophobicContact CD1-CG2 4.28Å; A154-V162 HydrophobicContact CB-CB 4.21Å; A154-V162 HydrophobicContact CB-CG1 3.97Å; L159-V162 HydrophobicContact CB-CB 4.32Å; L159-V162 HydrophobicContact CB-CG2 4.31Å; L159-V162 PolarHBondContact O-N 3.44Å; V162-T164 VanDerWaalsContact C-N 3.27Å; V162-T164 PolarHBondContact O-N 3.18Å; V162-A165 PolarHBondContact O-N 3.2Å; V162-A165 VanDerWaalsContact O-N 3.13Å; V162-C166 PolarHBondContact O-N 3.07Å; V162-C166 PolarHBondContact O-SG 3.47Å
163	V	93.5	Very high	93.3	Very high	19 Å²	19	44.9 Å²	44.9	12%	0.115	24%	0.24	C	C	.	.	H	α-helix	trans	-54.2	-47.3	173.8	170.9	0	0	0	0	110.4	L151 A154 C155 L159 N160 A165 C166 C167	L151-V163 HydrophobicContact CD1-CB 4.16Å; L151-V163 HydrophobicContact CD1-CG1 3.84Å; L151-V163 HydrophobicContact CD1-CG2 4.23Å; A154-V163 HydrophobicContact CB-CG2 3.84Å; C155-V163 HydrophobicContact CB-CG2 4.48Å; L159-V163 WeakPolarHBondContact O-CG2 3.43Å; L159-V163 PolarHBondContact O-N 3.43Å; N160-V163 PolarHBondContact O-N 3.4Å; V163-A165 PolarHBondContact O-N 3.37Å; V163-C166 PolarHBondContact O-N 3.28Å; V163-C167 WeakPolarHBondContact O-CB 3.43Å; V163-C167 PolarHBondContact O-N 3.25Å; V163-C167 PolarHBondContact O-SG 3.21Å
164	T	92.8	Very high	93.3	Very high	81 Å²	81	45.7 Å²	45.7	50%	0.497	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-42.5	177.9	-56.3	0	0	0	0	111.8	N160 A161 V162 C167 N168	N160-T164 WeakPolarHBondContact O-CB 3.32Å; N160-T164 PolarHBondContact O-N 3.25Å; N160-T164 PolarHBondContact O-OG1 3.24Å; A161-T164 PolarHBondContact O-N 3.32Å; V162-T164 VanDerWaalsContact C-N 3.27Å; V162-T164 PolarHBondContact O-N 3.18Å; T164-C167 PolarHBondContact O-N 3.17Å; T164-N168 WeakPolarHBondContact O-CB 3.16Å; T164-N168 VanDerWaalsContact O-CG 3.29Å; T164-N168 PolarHBondContact O-N 3.21Å; T164-N168 PolarHBondContact O-ND2 3.42Å
165	A	93.8	Very high	93.3	Very high	31 Å²	31	50.5 Å²	50.5	26%	0.256	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-46.1	177.4	0	0	0	0	0	112.2	M142 A161 V162 V163 N168 F169	M142-A165 HydrophobicContact CE-CB 4.31Å; M142-A165 HydrophobicContact SD-CB 4.06Å; A161-A165 PolarHBondContact O-N 3.27Å; V162-A165 PolarHBondContact O-N 3.2Å; V162-A165 VanDerWaalsContact O-N 3.13Å; V163-A165 PolarHBondContact O-N 3.37Å; A165-N168 PolarHBondContact O-N 3.13Å; A165-F169 PolarHBondContact O-N 3.02Å
166	C	93.8	Very high	93.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-42.7	177.8	-62.8	0	0	0	0	111.6	V147 L151 V162 V163 N168 F169 L170	V147-C166 HydrophobicContact CG2-CB 3.95Å; L151-C166 HydrophobicContact CB-CB 3.9Å; L151-C166 HydrophobicContact CD1-CB 4.01Å; L151-C166 HydrophobicContact CD2-CB 4.18Å; L151-C166 HydrophobicContact CG-CB 4.26Å; V162-C166 PolarHBondContact O-N 3.07Å; V162-C166 PolarHBondContact O-SG 3.47Å; V163-C166 PolarHBondContact O-N 3.28Å; C166-N168 VanDerWaalsContact C-N 3.31Å; C166-N168 PolarHBondContact O-N 3.44Å; C166-F169 WeakPolarHBondContact O-CB 3.28Å; C166-F169 PolarHBondContact O-N 3.27Å; C166-L170 PolarHBondContact O-N 3.49Å
167	C	92.9	Very high	93.5	Very high	10 Å²	10	48.4 Å²	48.4	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-42.4	174.8	-71.8	0	0	0	0	111.9	V163 T164 F169 A171 L194	V163-C167 WeakPolarHBondContact O-CB 3.43Å; V163-C167 PolarHBondContact O-N 3.25Å; V163-C167 PolarHBondContact O-SG 3.21Å; T164-C167 PolarHBondContact O-N 3.17Å; C167-F169 VanDerWaalsContact C-N 3.35Å; C167-A171 VanDerWaalsContact O-CB 3.25Å; C167-A171 WeakPolarHBondContact O-CB 3.35Å; C167-A171 PolarHBondContact O-N 3.33Å; C167-L194 HydrophobicContact CB-CB 4.26Å
168	N	91.9	Very high	93.5	Very high	78 Å²	78	50.1 Å²	50.1	42%	0.417	27%	0.267	S	S	.	.	H	α-helix	trans	-67.4	-35.2	177.1	-74.8	-27.5	0	0	0	112.6	T164 A165 C166 R172	T164-N168 WeakPolarHBondContact O-CB 3.16Å; T164-N168 VanDerWaalsContact O-CG 3.29Å; T164-N168 PolarHBondContact O-N 3.21Å; T164-N168 PolarHBondContact O-ND2 3.42Å; A165-N168 PolarHBondContact O-N 3.13Å; C166-N168 VanDerWaalsContact C-N 3.31Å; C166-N168 PolarHBondContact O-N 3.44Å; N168-R172 WeakPolarHBondContact O-CG 3.43Å; N168-R172 PolarHBondContact O-N 3.13Å
169	F	93.4	Very high	93.6	Very high	42 Å²	42	45.5 Å²	45.5	18%	0.184	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-51.2	174.8	-177.5	-92.5	0	0	0	110.9	M142 E144 V147 A165 C166 C167 A171 R172	M142-F169 HydrophobicContact CB-CD2 4.25Å; M142-F169 HydrophobicContact CB-CE2 4.4Å; M142-F169 HydrophobicContact CB-CG 4.41Å; M142-F169 HydrophobicContact SD-CB 4.05Å; M142-F169 HydrophobicContact SD-CG 4.47Å; E144-F169 HydrophobicContact CG-CE1 4.3Å; E144-F169 HydrophobicContact CG-CZ 4.04Å; V147-F169 HydrophobicContact CB-CD1 4.18Å; V147-F169 HydrophobicContact CB-CE1 4.28Å; V147-F169 HydrophobicContact CG1-CD1 4.13Å; V147-F169 HydrophobicContact CG1-CE1 4.09Å; V147-F169 HydrophobicContact CG2-CD1 3.86Å; V147-F169 HydrophobicContact CG2-CE1 4.46Å; A165-F169 PolarHBondContact O-N 3.02Å; C166-F169 WeakPolarHBondContact O-CB 3.28Å; C166-F169 PolarHBondContact O-N 3.27Å; C167-F169 VanDerWaalsContact C-N 3.35Å; F169-A171 PolarHBondContact O-N 3.04Å; F169-R172 WeakPolarHBondContact O-CB 3.2Å; F169-R172 PolarHBondContact O-N 3.33Å
170	L	92.8	Very high	93.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-40.8	177.1	-73.5	172.8	0	0	0	112.6	V147 L151 C166 R172 Q173 L174 F182 F185 L194	V147-L170 HydrophobicContact CG1-CD2 3.57Å; V147-L170 HydrophobicContact CG1-CG 4.17Å; V147-L170 HydrophobicContact CG2-CD2 4.48Å; V147-L170 HydrophobicContact CG2-CG 4.17Å; L151-L170 HydrophobicContact CD2-CD1 3.61Å; C166-L170 PolarHBondContact O-N 3.49Å; L170-R172 PolarHBondContact O-N 3.35Å; L170-Q173 PolarHBondContact O-N 3.32Å; L170-L174 PolarHBondContact O-N 2.81Å; L170-F182 HydrophobicContact CD2-CD1 4.5Å; L170-F182 HydrophobicContact CD2-CE1 3.81Å; L170-F182 HydrophobicContact CD2-CE2 4.24Å; L170-F182 HydrophobicContact CD2-CZ 3.67Å; L170-F185 HydrophobicContact CD1-CE1 4.49Å; L170-L194 HydrophobicContact CB-CD1 4.02Å; L170-L194 HydrophobicContact CB-CD2 4.1Å; L170-L194 HydrophobicContact CD1-CD2 3.7Å
171	A	91.6	Very high	93.5	Very high	25 Å²	25	41.8 Å²	41.8	21%	0.207	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-30.1	178.1	0	0	0	0	0	113.1	C167 F169 Q173 L194 L197	C167-A171 VanDerWaalsContact O-CB 3.25Å; C167-A171 WeakPolarHBondContact O-CB 3.35Å; C167-A171 PolarHBondContact O-N 3.33Å; F169-A171 PolarHBondContact O-N 3.04Å; A171-Q173 PolarHBondContact O-N 3.37Å; A171-L194 HydrophobicContact CB-CD1 4.29Å; A171-L197 HydrophobicContact CB-CD1 3.8Å
172	R	92.4	Very high	93.5	Very high	213 Å²	213	39.6 Å²	39.6	80%	0.804	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.6	175.8	-69.2	169.9	-175.6	176.8	2.2	113	N168 F169 L170	N168-R172 WeakPolarHBondContact O-CG 3.43Å; N168-R172 PolarHBondContact O-N 3.13Å; F169-R172 WeakPolarHBondContact O-CB 3.2Å; F169-R172 PolarHBondContact O-N 3.33Å; L170-R172 PolarHBondContact O-N 3.35Å
173	Q	92.2	Very high	93.4	Very high	53 Å²	53	40.1 Å²	40.1	25%	0.248	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	9.2	-177.6	-62.2	-175.1	-6.4	0	0	113.2	E144 L170 A171 H175 N178 F182	E144-Q173 PolarHBondContact OE1-NE2 3.36Å; L170-Q173 PolarHBondContact O-N 3.32Å; A171-Q173 PolarHBondContact O-N 3.37Å; Q173-H175 PolarHBondContact O-N 3.38Å; Q173-N178 PolarHBondContact O-ND2 2.82Å; Q173-F182 HydrophobicContact CB-CE2 4.37Å
174	L	94.1	Very high	93.3	Very high	23 Å²	23	43.6 Å²	43.6	12%	0.12	23%	0.228	C	C	.	.			trans	-59.2	124.3	175.3	-80.4	166.4	0	0	0	110.9	L170 C179 F182 L197 A198 Y201	L170-L174 PolarHBondContact O-N 2.81Å; L174-C179 HydrophobicContact CD2-CB 3.93Å; L174-F182 HydrophobicContact CD2-CB 4.31Å; L174-F182 HydrophobicContact CD2-CD2 3.75Å; L174-F182 HydrophobicContact CG-CD2 4.33Å; L174-L197 HydrophobicContact CD1-CB 4.34Å; L174-A198 HydrophobicContact CD2-CB 3.97Å; L174-Y201 HydrophobicContact CB-CD1 4.46Å; L174-Y201 HydrophobicContact CB-CD2 3.83Å; L174-Y201 HydrophobicContact CB-CE2 3.94Å; L174-Y201 HydrophobicContact CB-CG 4.1Å; L174-Y201 HydrophobicContact CD1-CD2 4.33Å; L174-Y201 HydrophobicContact CD1-CG 4.39Å; L174-Y201 PolarHBondContact O-OH 2.99Å
175	H	95.3	Very high	93.3	Very high	101 Å²	101	41 Å²	41	47%	0.468	21%	0.21	S	C	.	.			trans	-136.3	152.1	-179.8	-172.1	-98	0	0	0	109.5	Q173 S177 N178 C179	Q173-H175 PolarHBondContact O-N 3.38Å; H175-S177 PolarHBondContact ND1-N 3.25Å; H175-S177 PolarHBondContact ND1-OG 2.81Å; H175-S177 PolarHBondContact O-N 2.73Å; H175-N178 WeakPolarHBondContact CA-OD1 3.45Å; H175-N178 PolarHBondContact N-OD1 3.49Å; H175-N178 PolarHBondContact O-N 3.4Å; H175-N178 VanDerWaalsContact O-N 3.08Å; H175-N178 PolarHBondContact O-OD1 3Å; H175-C179 WeakPolarHBondContact O-CB 3.27Å; H175-C179 PolarHBondContact O-N 2.98Å
176	P	94.8	Very high	93.2	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.039	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.6	-179.5	-26.5	36.6	0	0	0	114.7	Y201 Q208 V209 N212	P176-Y201 WeakPolarHBondContact CD-OH 3.5Å; P176-Y201 HydrophobicContact CG-CE1 4.24Å; P176-Q208 HydrophobicContact CB-CB 3.85Å; P176-Q208 HydrophobicContact CG-CB 4.09Å; P176-V209 HydrophobicContact CB-CG2 4.15Å; P176-N212 PolarHBondContact O-ND2 3.06Å
177	S	94.5	Very high	93.1	Very high	48 Å²	48	44.1 Å²	44.1	34%	0.336	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-13.1	179.3	69.4	0	0	0	0	115.3	H175 N212 E214	H175-S177 PolarHBondContact ND1-N 3.25Å; H175-S177 PolarHBondContact ND1-OG 2.81Å; H175-S177 PolarHBondContact O-N 2.73Å; S177-N212 WeakPolarHBondContact CB-OD1 3.03Å; S177-E214 WeakPolarHBondContact O-CG 3.36Å
178	N	93.8	Very high	92.9	Very high	37 Å²	37	49.2 Å²	49.2	20%	0.198	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-8.7	-176.3	69.9	8.7	0	0	0	114	Q173 H175 L180 G181 F182 E214	Q173-N178 PolarHBondContact O-ND2 2.82Å; H175-N178 WeakPolarHBondContact CA-OD1 3.45Å; H175-N178 PolarHBondContact N-OD1 3.49Å; H175-N178 PolarHBondContact O-N 3.4Å; H175-N178 VanDerWaalsContact O-N 3.08Å; H175-N178 PolarHBondContact O-OD1 3Å; N178-L180 VanDerWaalsContact C-N 3.28Å; N178-L180 PolarHBondContact O-N 3.35Å; N178-G181 PolarHBondContact O-N 2.91Å; N178-F182 PolarHBondContact O-N 3.18Å; N178-E214 WeakPolarHBondContact CA-OE1 3.32Å; N178-E214 VanDerWaalsContact CA-OE2 3.24Å; N178-E214 WeakPolarHBondContact CA-OE2 3.41Å
179	C	94.9	Very high	92.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-28.8	-172	63	0	0	0	0	113.6	L174 H175 A183 Y201 T202 V209	L174-C179 HydrophobicContact CD2-CB 3.93Å; H175-C179 WeakPolarHBondContact O-CB 3.27Å; H175-C179 PolarHBondContact O-N 2.98Å; C179-A183 WeakPolarHBondContact O-CB 3.48Å; C179-A183 PolarHBondContact O-N 3.39Å; C179-Y201 HydrophobicContact CB-CD1 3.84Å; C179-Y201 HydrophobicContact CB-CE1 4.4Å; C179-T202 PolarHBondContact SG-OG1 3.29Å; C179-V209 VanDerWaalsContact SG-CG2 3.54Å
180	L	94.3	Very high	92.6	Very high	20 Å²	20	50.8 Å²	50.8	11%	0.105	26%	0.259	C	S	.	.	H	α-helix	trans	-73.5	-42.4	175.6	-66.7	172.4	0	0	0	110	N178 A183 F184 T202 V209 E214 F215 L218 L226	N178-L180 VanDerWaalsContact C-N 3.28Å; N178-L180 PolarHBondContact O-N 3.35Å; L180-A183 PolarHBondContact O-N 3.46Å; L180-F184 WeakPolarHBondContact O-CB 3.46Å; L180-F184 PolarHBondContact O-N 2.85Å; L180-T202 HydrophobicContact CD2-CG2 3.59Å; L180-T202 HydrophobicContact CG-CG2 4.48Å; L180-V209 HydrophobicContact CD1-CG1 3.57Å; L180-V209 HydrophobicContact CD2-CG1 4.32Å; L180-V209 HydrophobicContact CG-CG1 3.82Å; L180-E214 HydrophobicContact CB-CB 4.1Å; L180-E214 WeakPolarHBondContact CB-OE2 3.33Å; L180-E214 HydrophobicContact CD1-CB 4.08Å; L180-E214 PolarHBondContact N-OE2 3.41Å; L180-F215 HydrophobicContact CD1-CB 4.01Å; L180-F215 HydrophobicContact CD1-CD2 4.46Å; L180-L218 HydrophobicContact CD1-CD1 4.02Å; L180-L218 HydrophobicContact CD1-CD2 4.36Å; L180-L218 HydrophobicContact CD1-CG 4.29Å; L180-L218 HydrophobicContact CD2-CD1 4.34Å; L180-L226 HydrophobicContact CD2-CD2 4.48Å
181	G	92.3	Very high	92.4	Very high	27 Å²	27	51.3 Å²	51.3	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-56.9	-49	171.7	0	0	0	0	0	112.2	N178 A183 F184 F185 E214	N178-G181 PolarHBondContact O-N 2.91Å; G181-A183 PolarHBondContact O-N 3.49Å; G181-F184 PolarHBondContact O-N 3.21Å; G181-F185 VanDerWaalsContact O-CB 3.31Å; G181-F185 WeakPolarHBondContact O-CB 3.44Å; G181-F185 PolarHBondContact O-N 2.93Å; G181-E214 PolarHBondContact N-OE2 3.04Å
182	F	93.4	Very high	92.3	Very high	15 Å²	15	55.1 Å²	55.1	7%	0.066	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-36.2	176.3	-73.2	-10.6	0	0	0	113.4	L170 Q173 L174 N178 A186 A198	L170-F182 HydrophobicContact CD2-CD1 4.5Å; L170-F182 HydrophobicContact CD2-CE1 3.81Å; L170-F182 HydrophobicContact CD2-CE2 4.24Å; L170-F182 HydrophobicContact CD2-CZ 3.67Å; Q173-F182 HydrophobicContact CB-CE2 4.37Å; L174-F182 HydrophobicContact CD2-CB 4.31Å; L174-F182 HydrophobicContact CD2-CD2 3.75Å; L174-F182 HydrophobicContact CG-CD2 4.33Å; N178-F182 PolarHBondContact O-N 3.18Å; F182-A186 WeakPolarHBondContact O-CB 3.46Å; F182-A186 PolarHBondContact O-N 3.48Å; F182-A198 HydrophobicContact CB-CB 4.42Å
183	A	93.3	Very high	92.2	Very high	12 Å²	12	48.4 Å²	48.4	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-48.7	173.8	0	0	0	0	0	110.8	C179 L180 G181 F185 A186 E187 L195 A198 Q199	C179-A183 WeakPolarHBondContact O-CB 3.48Å; C179-A183 PolarHBondContact O-N 3.39Å; L180-A183 PolarHBondContact O-N 3.46Å; G181-A183 PolarHBondContact O-N 3.49Å; A183-F185 PolarHBondContact O-N 3.29Å; A183-A186 PolarHBondContact O-N 3.27Å; A183-E187 PolarHBondContact O-N 3.29Å; A183-L195 HydrophobicContact CB-CD1 4.15Å; A183-L195 WeakPolarHBondContact O-CD1 3.21Å; A183-A198 HydrophobicContact CB-CB 3.82Å; A183-Q199 HydrophobicContact CB-CG 4.49Å
184	F	91.7	Very high	92.2	Very high	92 Å²	92	45.9 Å²	45.9	40%	0.404	26%	0.255	S	S	.	.	H	α-helix	trans	-61.2	-45.8	178.1	180	-106.9	0	0	0	112.2	L180 G181 A186 E187 Q188	L180-F184 WeakPolarHBondContact O-CB 3.46Å; L180-F184 PolarHBondContact O-N 2.85Å; G181-F184 PolarHBondContact O-N 3.21Å; F184-A186 PolarHBondContact O-N 3.26Å; F184-E187 PolarHBondContact O-N 3.14Å; F184-Q188 HydrophobicContact CE1-CG 4.35Å; F184-Q188 HydrophobicContact CZ-CG 4.37Å; F184-Q188 WeakPolarHBondContact O-CG 3.36Å; F184-Q188 PolarHBondContact O-N 2.9Å
185	F	91.4	Very high	92.2	Very high	26 Å²	26	46.2 Å²	46.2	11%	0.114	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-44.9	176.1	177.4	-96.6	0	0	0	111.7	E148 L151 A152 L170 G181 A183 E187 Q188 Q189	E148-F185 HydrophobicContact CB-CE2 4.07Å; E148-F185 HydrophobicContact CB-CZ 3.99Å; E148-F185 HydrophobicContact CG-CZ 4.48Å; E148-F185 WeakPolarHBondContact O-CZ 3.44Å; L151-F185 HydrophobicContact CB-CE1 4.43Å; L151-F185 HydrophobicContact CB-CZ 4.46Å; L151-F185 HydrophobicContact CD2-CE1 3.73Å; L151-F185 HydrophobicContact CG-CE1 4.1Å; L151-F185 HydrophobicContact CG-CZ 4.45Å; A152-F185 HydrophobicContact CB-CZ 4.47Å; L170-F185 HydrophobicContact CD1-CE1 4.49Å; G181-F185 VanDerWaalsContact O-CB 3.31Å; G181-F185 WeakPolarHBondContact O-CB 3.44Å; G181-F185 PolarHBondContact O-N 2.93Å; A183-F185 PolarHBondContact O-N 3.29Å; F185-E187 VanDerWaalsContact C-N 3.32Å; F185-E187 PolarHBondContact O-N 2.84Å; F185-Q188 PolarHBondContact O-N 3.37Å; F185-Q189 HydrophobicContact CD1-CG 4.48Å; F185-Q189 HydrophobicContact CD2-CG 4.49Å; F185-Q189 HydrophobicContact CE1-CG 3.96Å; F185-Q189 HydrophobicContact CE2-CG 4Å; F185-Q189 HydrophobicContact CZ-CG 3.7Å; F185-Q189 WeakPolarHBondContact O-CG 3.45Å; F185-Q189 PolarHBondContact O-N 2.99Å
186	A	92.9	Very high	92.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-35.6	177.9	0	0	0	0	0	112.7	F182 A183 F184 S190 C191 L194 L195	F182-A186 WeakPolarHBondContact O-CB 3.46Å; F182-A186 PolarHBondContact O-N 3.48Å; A183-A186 PolarHBondContact O-N 3.27Å; F184-A186 PolarHBondContact O-N 3.26Å; A186-S190 PolarHBondContact O-N 3.44Å; A186-S190 VanDerWaalsContact O-N 3.15Å; A186-C191 HydrophobicContact CB-CB 4.21Å; A186-C191 PolarHBondContact O-N 2.93Å; A186-L194 HydrophobicContact CB-CB 3.95Å; A186-L194 HydrophobicContact CB-CD2 3.98Å; A186-L194 HydrophobicContact CB-CG 3.87Å; A186-L195 HydrophobicContact CB-CB 3.81Å
187	E	91.5	Very high	92	Very high	97 Å²	97	52.6 Å²	52.6	45%	0.453	28%	0.281	S	S	.	.	H	α-helix	trans	-63.6	-46.3	173.9	-171.2	172.3	-154.7	0	0	111.1	A183 F184 F185 Q189 S190 L195	A183-E187 PolarHBondContact O-N 3.29Å; F184-E187 PolarHBondContact O-N 3.14Å; F185-E187 VanDerWaalsContact C-N 3.32Å; F185-E187 PolarHBondContact O-N 2.84Å; E187-Q189 VanDerWaalsContact C-N 3.34Å; E187-Q189 PolarHBondContact O-N 2.91Å; E187-S190 PolarHBondContact O-N 3.32Å; E187-S190 VanDerWaalsContact O-N 3.12Å; E187-L195 HydrophobicContact CB-CD1 4.1Å; E187-L195 HydrophobicContact CB-CD2 4.25Å; E187-L195 HydrophobicContact CG-CD2 4.48Å
188	Q	89.7	Confident	92	Very high	116 Å²	116	50.3 Å²	50.3	54%	0.542	27%	0.265	S	S	.	.	H	α-helix	trans	-59.7	-42.2	176.5	-71.8	-172.8	-16.1	0	0	112.8	F184 F185 S190	F184-Q188 HydrophobicContact CE1-CG 4.35Å; F184-Q188 HydrophobicContact CZ-CG 4.37Å; F184-Q188 WeakPolarHBondContact O-CG 3.36Å; F184-Q188 PolarHBondContact O-N 2.9Å; F185-Q188 PolarHBondContact O-N 3.37Å; Q188-S190 PolarHBondContact O-N 3.28Å
189	Q	88.5	Confident	92	Very high	52 Å²	52	53.1 Å²	53.1	24%	0.243	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	6.7	179.7	-58	-54.8	-36.2	0	0	113.5	F185 E187 C191	F185-Q189 HydrophobicContact CD1-CG 4.48Å; F185-Q189 HydrophobicContact CD2-CG 4.49Å; F185-Q189 HydrophobicContact CE1-CG 3.96Å; F185-Q189 HydrophobicContact CE2-CG 4Å; F185-Q189 HydrophobicContact CZ-CG 3.7Å; F185-Q189 WeakPolarHBondContact O-CG 3.45Å; F185-Q189 PolarHBondContact O-N 2.99Å; E187-Q189 VanDerWaalsContact C-N 3.34Å; E187-Q189 PolarHBondContact O-N 2.91Å; Q189-C191 PolarHBondContact O-N 3.22Å; Q189-C191 VanDerWaalsContact O-N 3.09Å
190	S	88.6	Confident	91.9	Very high	102 Å²	102	55.8 Å²	55.8	71%	0.713	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	28.9	-175.1	-60.8	0	0	0	0	113.9	A186 E187 Q188 T192	A186-S190 PolarHBondContact O-N 3.44Å; A186-S190 VanDerWaalsContact O-N 3.15Å; E187-S190 PolarHBondContact O-N 3.32Å; E187-S190 VanDerWaalsContact O-N 3.12Å; Q188-S190 PolarHBondContact O-N 3.28Å; S190-T192 PolarHBondContact O-N 2.97Å; S190-T192 VanDerWaalsContact O-N 3.1Å
191	C	89.6	Confident	91.9	Very high	11 Å²	11	57.1 Å²	57.1	7%	0.074	30%	0.303	C	S	.	.			trans	-84.5	78.7	-179.6	-73.2	0	0	0	0	110.6	C155 A186 Q189 T193 L194 L195	C155-C191 VanDerWaalsContact SG-SG 3.6Å; A186-C191 HydrophobicContact CB-CB 4.21Å; A186-C191 PolarHBondContact O-N 2.93Å; Q189-C191 PolarHBondContact O-N 3.22Å; Q189-C191 VanDerWaalsContact O-N 3.09Å; C191-T193 VanDerWaalsContact C-N 3.3Å; C191-T193 PolarHBondContact O-N 2.94Å; C191-L194 HydrophobicContact CB-CB 4.37Å; C191-L194 PolarHBondContact O-N 3.26Å; C191-L195 WeakPolarHBondContact O-CB 3.31Å; C191-L195 PolarHBondContact O-N 3.18Å
192	T	90.2	Very high	92.1	Very high	106 Å²	106	56 Å²	56	65%	0.65	29%	0.291	S	S	*	.	H	α-helix	trans	-56.9	-37.5	-173.5	57	0	0	0	0	114.2	S190 R196	S190-T192 PolarHBondContact O-N 2.97Å; S190-T192 VanDerWaalsContact O-N 3.1Å; T192-R196 WeakPolarHBondContact O-CB 3.41Å; T192-R196 PolarHBondContact O-N 2.84Å
193	T	89.4	Confident	92.1	Very high	72 Å²	72	56 Å²	56	44%	0.442	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-49.5	179.3	-57.9	0	0	0	0	112	C191 R196 L197	C191-T193 VanDerWaalsContact C-N 3.3Å; C191-T193 PolarHBondContact O-N 2.94Å; T193-R196 PolarHBondContact O-N 3.35Å; T193-L197 HydrophobicContact CG2-CD1 4.35Å; T193-L197 WeakPolarHBondContact O-CG 3.47Å; T193-L197 PolarHBondContact O-N 3.41Å; T193-L197 VanDerWaalsContact O-N 3.13Å
194	L	92.9	Very high	92	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-42.3	179	180	61.5	0	0	0	110.7	L151 C167 L170 A171 A186 C191 R196 L197 A198	L151-L194 HydrophobicContact CD2-CD2 4.36Å; C167-L194 HydrophobicContact CB-CB 4.26Å; L170-L194 HydrophobicContact CB-CD1 4.02Å; L170-L194 HydrophobicContact CB-CD2 4.1Å; L170-L194 HydrophobicContact CD1-CD2 3.7Å; A171-L194 HydrophobicContact CB-CD1 4.29Å; A186-L194 HydrophobicContact CB-CB 3.95Å; A186-L194 HydrophobicContact CB-CD2 3.98Å; A186-L194 HydrophobicContact CB-CG 3.87Å; C191-L194 HydrophobicContact CB-CB 4.37Å; C191-L194 PolarHBondContact O-N 3.26Å; L194-R196 PolarHBondContact O-N 2.92Å; L194-L197 PolarHBondContact O-N 3.49Å; L194-A198 WeakPolarHBondContact O-CB 3.4Å; L194-A198 PolarHBondContact O-N 3.23Å
195	L	94	Very high	92.1	Very high	30 Å²	30	58 Å²	58	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-55.4	-50.2	176.5	177.8	61	0	0	0	111.2	A183 A186 E187 C191 L197 A198 Q199	A183-L195 HydrophobicContact CB-CD1 4.15Å; A183-L195 WeakPolarHBondContact O-CD1 3.21Å; A186-L195 HydrophobicContact CB-CB 3.81Å; E187-L195 HydrophobicContact CB-CD1 4.1Å; E187-L195 HydrophobicContact CB-CD2 4.25Å; E187-L195 HydrophobicContact CG-CD2 4.48Å; C191-L195 WeakPolarHBondContact O-CB 3.31Å; C191-L195 PolarHBondContact O-N 3.18Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 2.96Å; L195-A198 PolarHBondContact O-N 3.46Å; L195-Q199 HydrophobicContact CD1-CG 4.05Å; L195-Q199 HydrophobicContact CG-CG 4.47Å; L195-Q199 WeakPolarHBondContact O-CB 3.17Å; L195-Q199 VanDerWaalsContact O-CG 3.3Å; L195-Q199 WeakPolarHBondContact O-CG 3.34Å; L195-Q199 PolarHBondContact O-N 3.01Å
196	R	92.4	Very high	92.3	Very high	169 Å²	169	56.8 Å²	56.8	64%	0.638	29%	0.292	S	S	*	.	H	α-helix	trans	-61.2	-41.6	178.7	-174.9	-177.9	64.5	168.5	-0.7	112.1	T192 T193 L194 A200	T192-R196 WeakPolarHBondContact O-CB 3.41Å; T192-R196 PolarHBondContact O-N 2.84Å; T193-R196 PolarHBondContact O-N 3.35Å; L194-R196 PolarHBondContact O-N 2.92Å; R196-A200 VanDerWaalsContact O-CB 3.24Å; R196-A200 WeakPolarHBondContact O-CB 3.21Å; R196-A200 PolarHBondContact O-N 3.5Å
197	L	92.6	Very high	92.4	Very high	71 Å²	71	59.6 Å²	59.6	37%	0.372	31%	0.306	S	S	.	.	H	α-helix	trans	-66.1	-44.1	177.9	-70.5	173.6	0	0	0	111.6	A171 L174 T193 L194 L195 A200 Y201	A171-L197 HydrophobicContact CB-CD1 3.8Å; L174-L197 HydrophobicContact CD1-CB 4.34Å; T193-L197 HydrophobicContact CG2-CD1 4.35Å; T193-L197 WeakPolarHBondContact O-CG 3.47Å; T193-L197 PolarHBondContact O-N 3.41Å; T193-L197 VanDerWaalsContact O-N 3.13Å; L194-L197 PolarHBondContact O-N 3.49Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 2.96Å; L197-A200 PolarHBondContact O-N 2.86Å; L197-Y201 VanDerWaalsContact O-CB 3.31Å; L197-Y201 WeakPolarHBondContact O-CB 3.41Å; L197-Y201 PolarHBondContact O-N 3.13Å
198	A	95.3	Very high	92.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-42.8	178.1	0	0	0	0	0	111.9	L174 F182 A183 L194 L195 Y201 T202	L174-A198 HydrophobicContact CD2-CB 3.97Å; F182-A198 HydrophobicContact CB-CB 4.42Å; A183-A198 HydrophobicContact CB-CB 3.82Å; L194-A198 WeakPolarHBondContact O-CB 3.4Å; L194-A198 PolarHBondContact O-N 3.23Å; L195-A198 PolarHBondContact O-N 3.46Å; A198-Y201 PolarHBondContact O-N 2.81Å; A198-T202 WeakPolarHBondContact O-CB 3.28Å; A198-T202 PolarHBondContact O-N 3.42Å; A198-T202 PolarHBondContact O-OG1 3.07Å
199	Q	93.9	Very high	92.9	Very high	96 Å²	96	54.2 Å²	54.2	45%	0.449	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-44.1	175.1	-74	175	-20.3	0	0	112.2	A183 L195 Y201 T202 C203	A183-Q199 HydrophobicContact CB-CG 4.49Å; L195-Q199 HydrophobicContact CD1-CG 4.05Å; L195-Q199 HydrophobicContact CG-CG 4.47Å; L195-Q199 WeakPolarHBondContact O-CB 3.17Å; L195-Q199 VanDerWaalsContact O-CG 3.3Å; L195-Q199 WeakPolarHBondContact O-CG 3.34Å; L195-Q199 PolarHBondContact O-N 3.01Å; Q199-Y201 VanDerWaalsContact C-N 3.34Å; Q199-Y201 PolarHBondContact O-N 3.09Å; Q199-T202 WeakPolarHBondContact O-CB 3.4Å; Q199-T202 PolarHBondContact O-N 3.5Å; Q199-C203 PolarHBondContact O-N 3.19Å; Q199-C203 PolarHBondContact O-SG 3.37Å
200	A	91.9	Very high	93.2	Very high	56 Å²	56	52.1 Å²	52.1	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-42	176	0	0	0	0	0	111.6	R196 L197 C203 Q204	R196-A200 VanDerWaalsContact O-CB 3.24Å; R196-A200 WeakPolarHBondContact O-CB 3.21Å; R196-A200 PolarHBondContact O-N 3.5Å; L197-A200 PolarHBondContact O-N 2.86Å; A200-C203 PolarHBondContact O-N 2.93Å; A200-Q204 WeakPolarHBondContact O-CB 3.29Å; A200-Q204 PolarHBondContact O-N 3.48Å
201	Y	95	Very high	93.4	Very high	49 Å²	49	54.5 Å²	54.5	19%	0.192	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-45.8	174.4	-170.1	-79.1	0	0	0	111.5	L174 P176 C179 L197 A198 Q199 C203 Q204 Y205	L174-Y201 HydrophobicContact CB-CD1 4.46Å; L174-Y201 HydrophobicContact CB-CD2 3.83Å; L174-Y201 HydrophobicContact CB-CE2 3.94Å; L174-Y201 HydrophobicContact CB-CG 4.1Å; L174-Y201 HydrophobicContact CD1-CD2 4.33Å; L174-Y201 HydrophobicContact CD1-CG 4.39Å; L174-Y201 PolarHBondContact O-OH 2.99Å; P176-Y201 WeakPolarHBondContact CD-OH 3.5Å; P176-Y201 HydrophobicContact CG-CE1 4.24Å; C179-Y201 HydrophobicContact CB-CD1 3.84Å; C179-Y201 HydrophobicContact CB-CE1 4.4Å; L197-Y201 VanDerWaalsContact O-CB 3.31Å; L197-Y201 WeakPolarHBondContact O-CB 3.41Å; L197-Y201 PolarHBondContact O-N 3.13Å; A198-Y201 PolarHBondContact O-N 2.81Å; Q199-Y201 VanDerWaalsContact C-N 3.34Å; Q199-Y201 PolarHBondContact O-N 3.09Å; Y201-C203 VanDerWaalsContact C-N 3.34Å; Y201-C203 PolarHBondContact O-N 3.33Å; Y201-Q204 PolarHBondContact O-N 3.03Å; Y201-Q204 VanDerWaalsContact O-N 3.15Å; Y201-Y205 AromaticContact CD1-CD2 3.69Å; Y201-Y205 HydrophobicContact CD1-CD2 3.69Å; Y201-Y205 HydrophobicContact CD1-CE2 4.4Å; Y201-Y205 AromaticContact CD2-CD2 3.89Å; Y201-Y205 HydrophobicContact CD2-CD2 3.89Å; Y201-Y205 AromaticContact CD2-CE2 3.78Å; Y201-Y205 HydrophobicContact CD2-CE2 3.78Å; Y201-Y205 AromaticContact CE1-CD2 3.44Å; Y201-Y205 HydrophobicContact CE1-CD2 3.44Å; Y201-Y205 VanDerWaalsContact CE1-CD2 3.44Å; Y201-Y205 HydrophobicContact CE1-CE2 4.08Å; Y201-Y205 HydrophobicContact CE1-CG 4.09Å; Y201-Y205 AromaticContact CE2-CD2 3.7Å; Y201-Y205 HydrophobicContact CE2-CD2 3.7Å; Y201-Y205 AromaticContact CE2-CE2 3.44Å; Y201-Y205 HydrophobicContact CE2-CE2 3.44Å; Y201-Y205 VanDerWaalsContact CE2-CE2 3.44Å; Y201-Y205 AromaticContact CG-CD2 3.9Å; Y201-Y205 HydrophobicContact CG-CD2 3.9Å; Y201-Y205 HydrophobicContact CG-CE2 4.25Å; Y201-Y205 AromaticContact CZ-CD2 3.45Å; Y201-Y205 VanDerWaalsContact CZ-CD2 3.45Å; Y201-Y205 AromaticContact CZ-CE2 3.6Å; Y201-Y205 WeakPolarHBondContact O-CD2 3.44Å; Y201-Y205 PolarHBondContact O-N 3.26Å
202	T	95.4	Very high	93.7	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-56.8	-48.3	177.1	-59.2	0	0	0	0	110.8	C179 L180 A198 Q199 Q204 Y205 F206 V209 L226	C179-T202 PolarHBondContact SG-OG1 3.29Å; L180-T202 HydrophobicContact CD2-CG2 3.59Å; L180-T202 HydrophobicContact CG-CG2 4.48Å; A198-T202 WeakPolarHBondContact O-CB 3.28Å; A198-T202 PolarHBondContact O-N 3.42Å; A198-T202 PolarHBondContact O-OG1 3.07Å; Q199-T202 WeakPolarHBondContact O-CB 3.4Å; Q199-T202 PolarHBondContact O-N 3.5Å; T202-Q204 VanDerWaalsContact C-N 3.34Å; T202-Q204 PolarHBondContact O-N 3.08Å; T202-Y205 CarbonylContact O-C 3.59Å; T202-Y205 PolarHBondContact O-N 3.1Å; T202-F206 VanDerWaalsContact O-CA 3.23Å; T202-F206 WeakPolarHBondContact O-CA 3.43Å; T202-F206 WeakPolarHBondContact O-CB 3.46Å; T202-F206 PolarHBondContact O-N 3.21Å; T202-V209 HydrophobicContact CG2-CG1 4.33Å; T202-L226 HydrophobicContact CG2-CD1 3.75Å; T202-L226 HydrophobicContact CG2-CD2 4.35Å
203	C	93.8	Very high	93.8	Very high	13 Å²	13	58.2 Å²	58.2	9%	0.088	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-40.8	177.4	-66.1	0	0	0	0	111.6	Q199 A200 Y201 D231 L232 N233	Q199-C203 PolarHBondContact O-N 3.19Å; Q199-C203 PolarHBondContact O-SG 3.37Å; A200-C203 PolarHBondContact O-N 2.93Å; Y201-C203 VanDerWaalsContact C-N 3.34Å; Y201-C203 PolarHBondContact O-N 3.33Å; C203-D231 HydrophobicContact CB-CB 4.39Å; C203-L232 HydrophobicContact CB-CD2 4.47Å; C203-N233 WeakPolarHBondContact O-CB 3.23Å; C203-N233 PolarHBondContact O-N 3.28Å
204	Q	92.1	Very high	94.1	Very high	70 Å²	70	57 Å²	57	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-65.4	-39.7	180	177.3	171.9	-10.1	0	0	113.4	A200 Y201 T202 N233	A200-Q204 WeakPolarHBondContact O-CB 3.29Å; A200-Q204 PolarHBondContact O-N 3.48Å; Y201-Q204 PolarHBondContact O-N 3.03Å; Y201-Q204 VanDerWaalsContact O-N 3.15Å; T202-Q204 VanDerWaalsContact C-N 3.34Å; T202-Q204 PolarHBondContact O-N 3.08Å; Q204-N233 WeakPolarHBondContact O-CB 3.38Å; Q204-N233 PolarHBondContact O-ND2 3.11Å
205	Y	93.9	Very high	94.2	Very high	78 Å²	78	57 Å²	57	31%	0.306	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	21.4	-176.1	-63.3	-77	0	0	0	113	Y201 T202 M207 Q208 V209	Y201-Y205 AromaticContact CD1-CD2 3.69Å; Y201-Y205 HydrophobicContact CD1-CD2 3.69Å; Y201-Y205 HydrophobicContact CD1-CE2 4.4Å; Y201-Y205 AromaticContact CD2-CD2 3.89Å; Y201-Y205 HydrophobicContact CD2-CD2 3.89Å; Y201-Y205 AromaticContact CD2-CE2 3.78Å; Y201-Y205 HydrophobicContact CD2-CE2 3.78Å; Y201-Y205 AromaticContact CE1-CD2 3.44Å; Y201-Y205 HydrophobicContact CE1-CD2 3.44Å; Y201-Y205 VanDerWaalsContact CE1-CD2 3.44Å; Y201-Y205 HydrophobicContact CE1-CE2 4.08Å; Y201-Y205 HydrophobicContact CE1-CG 4.09Å; Y201-Y205 AromaticContact CE2-CD2 3.7Å; Y201-Y205 HydrophobicContact CE2-CD2 3.7Å; Y201-Y205 AromaticContact CE2-CE2 3.44Å; Y201-Y205 HydrophobicContact CE2-CE2 3.44Å; Y201-Y205 VanDerWaalsContact CE2-CE2 3.44Å; Y201-Y205 AromaticContact CG-CD2 3.9Å; Y201-Y205 HydrophobicContact CG-CD2 3.9Å; Y201-Y205 HydrophobicContact CG-CE2 4.25Å; Y201-Y205 AromaticContact CZ-CD2 3.45Å; Y201-Y205 VanDerWaalsContact CZ-CD2 3.45Å; Y201-Y205 AromaticContact CZ-CE2 3.6Å; Y201-Y205 WeakPolarHBondContact O-CD2 3.44Å; Y201-Y205 PolarHBondContact O-N 3.26Å; T202-Y205 CarbonylContact O-C 3.59Å; T202-Y205 PolarHBondContact O-N 3.1Å; Y205-M207 PolarHBondContact O-N 2.98Å; Y205-Q208 WeakPolarHBondContact O-CA 3.36Å; Y205-Q208 WeakPolarHBondContact O-CB 3.37Å; Y205-Q208 PolarHBondContact O-N 3.26Å; Y205-V209 WeakPolarHBondContact O-CG2 3.37Å; Y205-V209 PolarHBondContact O-N 3.14Å
206	F	95.4	Very high	94.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-48.1	-42.5	-173.3	179.8	-103.1	0	0	0	113.8	T202 Q208 V209 C210 F215 L226 L227 L232 V234	T202-F206 VanDerWaalsContact O-CA 3.23Å; T202-F206 WeakPolarHBondContact O-CA 3.43Å; T202-F206 WeakPolarHBondContact O-CB 3.46Å; T202-F206 PolarHBondContact O-N 3.21Å; F206-Q208 PolarHBondContact O-N 3.21Å; F206-V209 PolarHBondContact O-N 2.98Å; F206-V209 VanDerWaalsContact O-N 3.14Å; F206-C210 WeakPolarHBondContact CE1-SG 3.45Å; F206-C210 WeakPolarHBondContact CE2-SG 3.46Å; F206-C210 WeakPolarHBondContact CZ-SG 3.12Å; F206-C210 PolarHBondContact O-N 3.4Å; F206-C210 PolarHBondContact O-SG 2.96Å; F206-F215 HydrophobicContact CE2-CE2 4.37Å; F206-L226 HydrophobicContact CD2-CD1 4.39Å; F206-L226 HydrophobicContact CD2-CD2 4.13Å; F206-L226 HydrophobicContact CD2-CG 4.3Å; F206-L226 HydrophobicContact CE2-CD1 4.49Å; F206-L226 HydrophobicContact CE2-CD2 3.71Å; F206-L226 HydrophobicContact CE2-CG 3.92Å; F206-L227 HydrophobicContact CZ-CD2 4.14Å; F206-L232 HydrophobicContact CB-CD2 4.27Å; F206-L232 HydrophobicContact CD2-CD2 3.6Å; F206-L232 HydrophobicContact CE2-CD1 4.48Å; F206-L232 HydrophobicContact CE2-CD2 3.99Å; F206-L232 HydrophobicContact CG-CD2 3.91Å; F206-L232 HydrophobicContact CZ-CD1 4.42Å; F206-V234 HydrophobicContact CD1-CG1 3.49Å; F206-V234 VanDerWaalsContact CD1-CG1 3.49Å; F206-V234 HydrophobicContact CE1-CG1 3.85Å
207	M	94.9	Very high	94.2	Very high	59 Å²	59	55.7 Å²	55.7	29%	0.291	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-29.5	178.7	-65.5	-51.6	-59.5	0	0	114.1	Y205 Q211 V234 D239	Y205-M207 PolarHBondContact O-N 2.98Å; M207-Q211 PolarHBondContact O-NE2 3.4Å; M207-Q211 VanDerWaalsContact O-NE2 3.13Å; M207-V234 HydrophobicContact SD-CG1 4Å; M207-D239 HydrophobicContact CE-CB 3.83Å; M207-D239 HydrophobicContact SD-CB 3.81Å
208	Q	95.2	Very high	94.3	Very high	100 Å²	100	53.3 Å²	53.3	47%	0.467	26%	0.259	S	S	.	.	H	α-helix	trans	-85	-40.3	173.7	-61.9	175.2	22	0	0	110.4	P176 Y205 F206 C210 Q211 N212	P176-Q208 HydrophobicContact CB-CB 3.85Å; P176-Q208 HydrophobicContact CG-CB 4.09Å; Y205-Q208 WeakPolarHBondContact O-CA 3.36Å; Y205-Q208 WeakPolarHBondContact O-CB 3.37Å; Y205-Q208 PolarHBondContact O-N 3.26Å; F206-Q208 PolarHBondContact O-N 3.21Å; Q208-C210 VanDerWaalsContact C-N 3.32Å; Q208-C210 PolarHBondContact O-N 3.44Å; Q208-Q211 WeakPolarHBondContact O-CB 3.47Å; Q208-Q211 PolarHBondContact O-N 2.98Å; Q208-Q211 VanDerWaalsContact O-N 3.13Å; Q208-N212 PolarHBondContact O-ND2 3.34Å
209	V	95.6	Very high	94.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.2	-43.2	179.3	177.1	0	0	0	0	111.6	P176 C179 L180 T202 Y205 F206 Q211 N212	P176-V209 HydrophobicContact CB-CG2 4.15Å; C179-V209 VanDerWaalsContact SG-CG2 3.54Å; L180-V209 HydrophobicContact CD1-CG1 3.57Å; L180-V209 HydrophobicContact CD2-CG1 4.32Å; L180-V209 HydrophobicContact CG-CG1 3.82Å; T202-V209 HydrophobicContact CG2-CG1 4.33Å; Y205-V209 WeakPolarHBondContact O-CG2 3.37Å; Y205-V209 PolarHBondContact O-N 3.14Å; F206-V209 PolarHBondContact O-N 2.98Å; F206-V209 VanDerWaalsContact O-N 3.14Å; V209-Q211 PolarHBondContact O-N 3.48Å; V209-N212 PolarHBondContact O-N 3.49Å
210	C	94.5	Very high	94.2	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.061	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.8	-179.5	-63.5	0	0	0	0	114.5	F206 Q208 F215 S243	F206-C210 WeakPolarHBondContact CE1-SG 3.45Å; F206-C210 WeakPolarHBondContact CE2-SG 3.46Å; F206-C210 WeakPolarHBondContact CZ-SG 3.12Å; F206-C210 PolarHBondContact O-N 3.4Å; F206-C210 PolarHBondContact O-SG 2.96Å; Q208-C210 VanDerWaalsContact C-N 3.32Å; Q208-C210 PolarHBondContact O-N 3.44Å; C210-F215 HydrophobicContact CB-CD1 4.33Å; C210-F215 HydrophobicContact CB-CE1 4.26Å; C210-F215 HydrophobicContact CB-CE2 4.49Å; C210-F215 HydrophobicContact CB-CG 4.47Å; C210-F215 HydrophobicContact CB-CZ 4.36Å; C210-S243 PolarHBondContact SG-OG 2.85Å; C210-S243 VanDerWaalsContact SG-OG 3.35Å
211	Q	93.8	Very high	94.3	Very high	152 Å²	152	55.3 Å²	55.3	71%	0.71	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-10	177.6	-56.9	175.6	8.7	0	0	112.4	M207 Q208 V209	M207-Q211 PolarHBondContact O-NE2 3.4Å; M207-Q211 VanDerWaalsContact O-NE2 3.13Å; Q208-Q211 WeakPolarHBondContact O-CB 3.47Å; Q208-Q211 PolarHBondContact O-N 2.98Å; Q208-Q211 VanDerWaalsContact O-N 3.13Å; V209-Q211 PolarHBondContact O-N 3.48Å
212	N	95.6	Very high	94.2	Very high	47 Å²	47	55.3 Å²	55.3	25%	0.251	27%	0.269	S	S	.	.	S	Bend	trans	-96.8	158.9	-174.7	-70.5	-78.4	0	0	0	112.5	P176 S177 Q208 V209 E214 F215 F216	P176-N212 PolarHBondContact O-ND2 3.06Å; S177-N212 WeakPolarHBondContact CB-OD1 3.03Å; Q208-N212 PolarHBondContact O-ND2 3.34Å; V209-N212 PolarHBondContact O-N 3.49Å; N212-E214 PolarHBondContact O-N 3.2Å; N212-F215 WeakPolarHBondContact O-CB 3.46Å; N212-F215 PolarHBondContact O-N 3.19Å; N212-F216 WeakPolarHBondContact O-CD2 3.37Å
213	Q	92.8	Very high	94.1	Very high	148 Å²	148	55.1 Å²	55.1	69%	0.692	27%	0.268	S	S	*	.	H	α-helix	trans	-62.7	-37.9	-174.6	-169.7	176.2	5.7	0	0	113.6	F215 F216 Q217	Q213-F215 PolarHBondContact O-N 3.21Å; Q213-F216 PolarHBondContact O-N 2.64Å; Q213-Q217 PolarHBondContact O-N 2.86Å
214	E	94.3	Very high	94.2	Very high	47 Å²	47	55 Å²	55	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-57.9	-33.2	179.7	-67.2	-168.6	161.6	0	0	112.6	S177 N178 L180 G181 N212 F216 Q217 L218	S177-E214 WeakPolarHBondContact O-CG 3.36Å; N178-E214 WeakPolarHBondContact CA-OE1 3.32Å; N178-E214 VanDerWaalsContact CA-OE2 3.24Å; N178-E214 WeakPolarHBondContact CA-OE2 3.41Å; L180-E214 HydrophobicContact CB-CB 4.1Å; L180-E214 WeakPolarHBondContact CB-OE2 3.33Å; L180-E214 HydrophobicContact CD1-CB 4.08Å; L180-E214 PolarHBondContact N-OE2 3.41Å; G181-E214 PolarHBondContact N-OE2 3.04Å; N212-E214 PolarHBondContact O-N 3.2Å; E214-F216 VanDerWaalsContact C-N 3.32Å; E214-F216 PolarHBondContact O-N 2.88Å; E214-Q217 PolarHBondContact O-N 3.42Å; E214-Q217 VanDerWaalsContact O-N 3.14Å; E214-L218 PolarHBondContact O-N 3.22Å
215	F	95.5	Very high	94.2	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-40.2	177	178.3	-102.3	0	0	0	111.8	L180 F206 C210 N212 Q213 Q217 L218 L223 L226 W247	L180-F215 HydrophobicContact CD1-CB 4.01Å; L180-F215 HydrophobicContact CD1-CD2 4.46Å; F206-F215 HydrophobicContact CE2-CE2 4.37Å; C210-F215 HydrophobicContact CB-CD1 4.33Å; C210-F215 HydrophobicContact CB-CE1 4.26Å; C210-F215 HydrophobicContact CB-CE2 4.49Å; C210-F215 HydrophobicContact CB-CG 4.47Å; C210-F215 HydrophobicContact CB-CZ 4.36Å; N212-F215 WeakPolarHBondContact O-CB 3.46Å; N212-F215 PolarHBondContact O-N 3.19Å; Q213-F215 PolarHBondContact O-N 3.21Å; F215-Q217 PolarHBondContact O-N 3.05Å; F215-L218 HydrophobicContact CD2-CD1 3.99Å; F215-L218 HydrophobicContact CE2-CD1 4.43Å; F215-L218 WeakPolarHBondContact O-CB 3.41Å; F215-L218 WeakPolarHBondContact O-CG 3.48Å; F215-L218 PolarHBondContact O-N 3.12Å; F215-L223 HydrophobicContact CE2-CD1 3.65Å; F215-L223 HydrophobicContact CZ-CD1 3.81Å; F215-L226 HydrophobicContact CD2-CD2 4.49Å; F215-L226 HydrophobicContact CE2-CD2 4.24Å; F215-W247 HydrophobicContact CE1-CB 3.83Å; F215-W247 HydrophobicContact CE1-CG 4.5Å; F215-W247 HydrophobicContact CZ-CB 4.3Å
216	F	94.4	Very high	94.3	Very high	41 Å²	41	54.3 Å²	54.3	18%	0.18	27%	0.267	C	S	.	.	H	α-helix	trans	-74.8	-13.4	178.2	-59.6	-72.9	0	0	0	113.2	N212 Q213 E214 H250 R255	N212-F216 WeakPolarHBondContact O-CD2 3.37Å; Q213-F216 PolarHBondContact O-N 2.64Å; E214-F216 VanDerWaalsContact C-N 3.32Å; E214-F216 PolarHBondContact O-N 2.88Å; F216-H250 HydrophobicContact CD1-CB 3.78Å; F216-H250 AromaticContact CD1-CG 3.94Å; F216-H250 HydrophobicContact CE1-CB 4.46Å; F216-H250 HydrophobicContact CG-CB 4.45Å; F216-R255 PolarHBondContact O-NH1 3.01Å; F216-R255 PolarHBondContact O-NH2 2.92Å
217	Q	93	Very high	94.2	Very high	130 Å²	130	54.3 Å²	54.3	61%	0.607	27%	0.267	S	S	*	.	H	α-helix	trans	-86.7	-11.9	175.5	-66.5	175.1	-4.6	0	0	113.1	Q213 E214 F215	Q213-Q217 PolarHBondContact O-N 2.86Å; E214-Q217 PolarHBondContact O-N 3.42Å; E214-Q217 VanDerWaalsContact O-N 3.14Å; F215-Q217 PolarHBondContact O-N 3.05Å
218	L	93.8	Very high	94.2	Very high	21 Å²	21	54.6 Å²	54.6	11%	0.11	28%	0.275	C	S	.	.			trans	-61	141.3	177	-62.3	178.8	0	0	0	111.5	L180 E214 F215 Q222 L226 W247	L180-L218 HydrophobicContact CD1-CD1 4.02Å; L180-L218 HydrophobicContact CD1-CD2 4.36Å; L180-L218 HydrophobicContact CD1-CG 4.29Å; L180-L218 HydrophobicContact CD2-CD1 4.34Å; E214-L218 PolarHBondContact O-N 3.22Å; F215-L218 HydrophobicContact CD2-CD1 3.99Å; F215-L218 HydrophobicContact CE2-CD1 4.43Å; F215-L218 WeakPolarHBondContact O-CB 3.41Å; F215-L218 WeakPolarHBondContact O-CG 3.48Å; F215-L218 PolarHBondContact O-N 3.12Å; L218-Q222 HydrophobicContact CB-CB 4.34Å; L218-Q222 HydrophobicContact CD2-CB 4.15Å; L218-L226 HydrophobicContact CD1-CD2 4.31Å; L218-W247 WeakPolarHBondContact O-CZ2 3.34Å; L218-W247 PolarHBondContact O-NE1 3.46Å
219	N	93	Very high	94.1	Very high	81 Å²	81	51.2 Å²	51.2	43%	0.433	26%	0.262	S	S	.	.			trans	-80.8	171.2	167.8	70.2	37.1	0	0	0	111.4	D221 Q222 L223	N219-D221 PolarHBondContact O-N 3.21Å; N219-D221 PolarHBondContact OD1-N 3.39Å; N219-Q222 VanDerWaalsContact N-OE1 3.1Å; N219-Q222 PolarHBondContact ND2-OE1 3.33Å; N219-Q222 PolarHBondContact O-N 3.37Å; N219-Q222 WeakPolarHBondContact OD1-CB 3.33Å; N219-Q222 VanDerWaalsContact OD1-CG 3.25Å; N219-Q222 WeakPolarHBondContact OD1-CG 3.46Å; N219-Q222 PolarHBondContact OD1-N 3.42Å; N219-L223 WeakPolarHBondContact O-CB 3.44Å; N219-L223 PolarHBondContact O-N 3.14Å
220	A	93.8	Very high	93.8	Very high	18 Å²	18	54.7 Å²	54.7	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-39.9	-176.6	0	0	0	0	0	113.1	L223 G224 W247 H258	A220-L223 PolarHBondContact O-N 3.04Å; A220-G224 PolarHBondContact O-N 3.29Å; A220-W247 HydrophobicContact CB-CH2 4.29Å; A220-H258 HydrophobicContact CB-CB 4.23Å
221	D	93.5	Very high	93.6	Very high	95 Å²	95	57.3 Å²	57.3	51%	0.508	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-44.2	178.8	176.9	68.3	0	0	0	112	N219 G224 K225	N219-D221 PolarHBondContact O-N 3.21Å; N219-D221 PolarHBondContact OD1-N 3.39Å; D221-G224 PolarHBondContact O-N 2.94Å; D221-K225 WeakPolarHBondContact O-CG 3.48Å; D221-K225 PolarHBondContact O-N 2.89Å; D221-K225 IonicContact OD1-NZ 3.94Å; D221-K225 VanDerWaalsContact OD2-CE 3.25Å; D221-K225 WeakPolarHBondContact OD2-CE 3.24Å; D221-K225 IonicContact OD2-NZ 2.78Å; D221-K225 PolarHBondContact OD2-NZ 3.19Å
222	Q	93.1	Very high	93.6	Very high	48 Å²	48	50 Å²	50	22%	0.224	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-44	177.1	-71.4	169.7	-27.7	0	0	111.6	L218 N219 G224 K225 L226	L218-Q222 HydrophobicContact CB-CB 4.34Å; L218-Q222 HydrophobicContact CD2-CB 4.15Å; N219-Q222 VanDerWaalsContact N-OE1 3.1Å; N219-Q222 PolarHBondContact ND2-OE1 3.33Å; N219-Q222 PolarHBondContact O-N 3.37Å; N219-Q222 WeakPolarHBondContact OD1-CB 3.33Å; N219-Q222 VanDerWaalsContact OD1-CG 3.25Å; N219-Q222 WeakPolarHBondContact OD1-CG 3.46Å; N219-Q222 PolarHBondContact OD1-N 3.42Å; Q222-G224 VanDerWaalsContact C-N 3.34Å; Q222-K225 PolarHBondContact O-N 2.92Å; Q222-L226 PolarHBondContact O-N 3.3Å; Q222-L226 VanDerWaalsContact O-N 3.14Å
223	L	95.2	Very high	93.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-40.8	174.7	-178.9	60.4	0	0	0	110.9	F215 N219 A220 L226 L227 L244 W247 L262	F215-L223 HydrophobicContact CE2-CD1 3.65Å; F215-L223 HydrophobicContact CZ-CD1 3.81Å; N219-L223 WeakPolarHBondContact O-CB 3.44Å; N219-L223 PolarHBondContact O-N 3.14Å; A220-L223 PolarHBondContact O-N 3.04Å; L223-L226 WeakPolarHBondContact O-CB 3.38Å; L223-L226 PolarHBondContact O-N 2.67Å; L223-L226 VanDerWaalsContact O-N 3.16Å; L223-L227 HydrophobicContact CD1-CD1 4.13Å; L223-L227 HydrophobicContact CD1-CD2 4.35Å; L223-L227 HydrophobicContact CD1-CG 3.96Å; L223-L227 HydrophobicContact CD2-CD1 4.43Å; L223-L227 HydrophobicContact CG-CD1 3.91Å; L223-L227 HydrophobicContact CG-CG 4.15Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 3.45Å; L223-L244 HydrophobicContact CD2-CD1 4.07Å; L223-W247 HydrophobicContact CD2-CB 4.06Å; L223-W247 HydrophobicContact CD2-CD2 3.37Å; L223-W247 HydrophobicContact CD2-CE3 3.61Å; L223-W247 HydrophobicContact CD2-CG 3.57Å; L223-W247 HydrophobicContact CD2-CZ2 4.37Å; L223-W247 HydrophobicContact CD2-CZ3 4.2Å; L223-L262 HydrophobicContact CD2-CD1 3.99Å
224	G	94.7	Very high	93.3	Very high	10 Å²	10	43.6 Å²	43.6	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-50.9	175.4	0	0	0	0	0	112	A220 D221 Q222 L226 L227 S228 L265	A220-G224 PolarHBondContact O-N 3.29Å; D221-G224 PolarHBondContact O-N 2.94Å; Q222-G224 VanDerWaalsContact C-N 3.34Å; G224-L226 VanDerWaalsContact C-N 3.25Å; G224-L226 PolarHBondContact O-N 2.92Å; G224-L227 PolarHBondContact O-N 3.38Å; G224-S228 WeakPolarHBondContact O-CB 3.15Å; G224-S228 PolarHBondContact O-N 3.06Å; G224-S228 PolarHBondContact O-OG 3.5Å; G224-L265 VanDerWaalsContact CA-CD1 3.48Å; G224-L265 WeakPolarHBondContact O-CD1 3.27Å
225	K	93.1	Very high	93	Very high	114 Å²	114	43.9 Å²	43.9	50%	0.496	24%	0.236	S	C	.	.	H	α-helix	trans	-56.3	-38.1	175	-74	167.8	177.8	162	0	112.9	D221 Q222 S228	D221-K225 WeakPolarHBondContact O-CG 3.48Å; D221-K225 PolarHBondContact O-N 2.89Å; D221-K225 IonicContact OD1-NZ 3.94Å; D221-K225 VanDerWaalsContact OD2-CE 3.25Å; D221-K225 WeakPolarHBondContact OD2-CE 3.24Å; D221-K225 IonicContact OD2-NZ 2.78Å; D221-K225 PolarHBondContact OD2-NZ 3.19Å; Q222-K225 PolarHBondContact O-N 2.92Å; K225-S228 WeakPolarHBondContact CA-OG 3.36Å; K225-S228 PolarHBondContact O-OG 3.23Å
226	L	94.4	Very high	92.7	Very high	21 Å²	21	45.5 Å²	45.5	11%	0.11	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-47.9	177	-177.1	59.5	0	0	0	111.4	L180 T202 F206 F215 L218 Q222 L223 G224 S228 S229 L232	L180-L226 HydrophobicContact CD2-CD2 4.48Å; T202-L226 HydrophobicContact CG2-CD1 3.75Å; T202-L226 HydrophobicContact CG2-CD2 4.35Å; F206-L226 HydrophobicContact CD2-CD1 4.39Å; F206-L226 HydrophobicContact CD2-CD2 4.13Å; F206-L226 HydrophobicContact CD2-CG 4.3Å; F206-L226 HydrophobicContact CE2-CD1 4.49Å; F206-L226 HydrophobicContact CE2-CD2 3.71Å; F206-L226 HydrophobicContact CE2-CG 3.92Å; F215-L226 HydrophobicContact CD2-CD2 4.49Å; F215-L226 HydrophobicContact CE2-CD2 4.24Å; L218-L226 HydrophobicContact CD1-CD2 4.31Å; Q222-L226 PolarHBondContact O-N 3.3Å; Q222-L226 VanDerWaalsContact O-N 3.14Å; L223-L226 WeakPolarHBondContact O-CB 3.38Å; L223-L226 PolarHBondContact O-N 2.67Å; L223-L226 VanDerWaalsContact O-N 3.16Å; G224-L226 VanDerWaalsContact C-N 3.25Å; G224-L226 PolarHBondContact O-N 2.92Å; L226-S228 VanDerWaalsContact C-N 3.33Å; L226-S228 PolarHBondContact O-N 2.86Å; L226-S229 WeakPolarHBondContact O-CB 3.3Å; L226-S229 PolarHBondContact O-N 3.04Å; L226-L232 HydrophobicContact CD1-CD2 3.79Å; L226-L232 HydrophobicContact CG-CD2 4.27Å; L226-L232 WeakPolarHBondContact O-CD1 3.38Å
227	L	94.7	Very high	92.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69	-27.3	-179.3	-65	-178.9	0	0	0	113.2	F206 L223 G224 S229 V240 L244 L265 R317	F206-L227 HydrophobicContact CZ-CD2 4.14Å; L223-L227 HydrophobicContact CD1-CD1 4.13Å; L223-L227 HydrophobicContact CD1-CD2 4.35Å; L223-L227 HydrophobicContact CD1-CG 3.96Å; L223-L227 HydrophobicContact CD2-CD1 4.43Å; L223-L227 HydrophobicContact CG-CD1 3.91Å; L223-L227 HydrophobicContact CG-CG 4.15Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 3.45Å; G224-L227 PolarHBondContact O-N 3.38Å; L227-S229 PolarHBondContact O-N 3.13Å; L227-V240 HydrophobicContact CD2-CG1 3.7Å; L227-L244 HydrophobicContact CD1-CB 4.34Å; L227-L244 HydrophobicContact CD1-CD1 4.1Å; L227-L265 HydrophobicContact CB-CB 4.08Å; L227-L265 HydrophobicContact CB-CD1 4.27Å; L227-R317 PolarHBondContact O-NH1 2.77Å; L227-R317 PolarHBondContact O-NH2 3.38Å; L227-R317 VanDerWaalsContact O-NH2 3.13Å
228	S	93.9	Very high	92.6	Very high	65 Å²	65	40.4 Å²	40.4	46%	0.455	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.8	174.7	59.9	0	0	0	0	113.4	G224 K225 L226 D230	G224-S228 WeakPolarHBondContact O-CB 3.15Å; G224-S228 PolarHBondContact O-N 3.06Å; G224-S228 PolarHBondContact O-OG 3.5Å; K225-S228 WeakPolarHBondContact CA-OG 3.36Å; K225-S228 PolarHBondContact O-OG 3.23Å; L226-S228 VanDerWaalsContact C-N 3.33Å; L226-S228 PolarHBondContact O-N 2.86Å; S228-D230 PolarHBondContact O-N 2.9Å
229	S	92.6	Very high	92.5	Very high	28 Å²	28	41.2 Å²	41.2	20%	0.196	23%	0.229	C	C	.	.			trans	-68.5	125.2	-174.6	178.4	0	0	0	0	113.4	L226 L227 D231 R317	L226-S229 WeakPolarHBondContact O-CB 3.3Å; L226-S229 PolarHBondContact O-N 3.04Å; L227-S229 PolarHBondContact O-N 3.13Å; S229-D231 PolarHBondContact O-N 3.41Å; S229-D231 PolarHBondContact OG-N 3.16Å; S229-R317 PolarHBondContact O-NH1 3.18Å
230	D	90.4	Very high	92.6	Very high	74 Å²	74	37.3 Å²	37.3	40%	0.396	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.7	171.8	-85.5	-53.5	0	0	0	114.1	S228 R267 K318	S228-D230 PolarHBondContact O-N 2.9Å; D230-R267 IonicContact OD1-CZ 3.51Å; D230-R267 IonicContact OD1-NH1 3.27Å; D230-R267 PolarHBondContact OD1-NH1 3.16Å; D230-R267 IonicContact OD1-NH2 3.7Å; D230-R267 PolarHBondContact OD1-NH2 2.76Å; D230-K318 PolarHBondContact O-N 3.29Å
231	D	91	Very high	92.7	Very high	63 Å²	63	36.8 Å²	36.8	34%	0.337	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.7	-173.2	-69.3	-44.6	0	0	0	113.6	C203 S229 N233 K318	C203-D231 HydrophobicContact CB-CB 4.39Å; S229-D231 PolarHBondContact O-N 3.41Å; S229-D231 PolarHBondContact OG-N 3.16Å; D231-N233 PolarHBondContact O-N 3.26Å; D231-K318 VanDerWaalsContact OD1-CD 3.3Å; D231-K318 WeakPolarHBondContact OD1-CD 3.43Å; D231-K318 WeakPolarHBondContact OD1-CE 3.45Å; D231-K318 IonicContact OD1-NZ 3.51Å; D231-K318 PolarHBondContact OD1-NZ 3.25Å; D231-K318 IonicContact OD2-NZ 2.85Å
232	L	92.6	Very high	92.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.			trans	-54	122.6	175.3	-73.2	-176.7	0	0	0	110.8	C203 F206 L226 V234 S319	C203-L232 HydrophobicContact CB-CD2 4.47Å; F206-L232 HydrophobicContact CB-CD2 4.27Å; F206-L232 HydrophobicContact CD2-CD2 3.6Å; F206-L232 HydrophobicContact CE2-CD1 4.48Å; F206-L232 HydrophobicContact CE2-CD2 3.99Å; F206-L232 HydrophobicContact CG-CD2 3.91Å; F206-L232 HydrophobicContact CZ-CD1 4.42Å; L226-L232 HydrophobicContact CD1-CD2 3.79Å; L226-L232 HydrophobicContact CG-CD2 4.27Å; L226-L232 WeakPolarHBondContact O-CD1 3.38Å; L232-V234 PolarHBondContact O-N 3.32Å; L232-V234 VanDerWaalsContact O-N 3.17Å; L232-S319 WeakPolarHBondContact O-CB 3.43Å; L232-S319 PolarHBondContact O-OG 2.84Å
233	N	91.4	Very high	92.9	Very high	58 Å²	58	34.6 Å²	34.6	31%	0.31	19%	0.19	S	C	.	.			trans	-88	83.2	178.8	-173.3	35.9	0	0	0	110.5	C203 Q204 D231	C203-N233 WeakPolarHBondContact O-CB 3.23Å; C203-N233 PolarHBondContact O-N 3.28Å; Q204-N233 WeakPolarHBondContact O-CB 3.38Å; Q204-N233 PolarHBondContact O-ND2 3.11Å; D231-N233 PolarHBondContact O-N 3.26Å
234	V	90.7	Very high	92.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	19%	0.19	C	C	.	.			trans	-115.3	145.4	177.5	-68	0	0	0	0	111.6	F206 M207 L232 V240 S319 T320	F206-V234 HydrophobicContact CD1-CG1 3.49Å; F206-V234 VanDerWaalsContact CD1-CG1 3.49Å; F206-V234 HydrophobicContact CE1-CG1 3.85Å; M207-V234 HydrophobicContact SD-CG1 4Å; L232-V234 PolarHBondContact O-N 3.32Å; L232-V234 VanDerWaalsContact O-N 3.17Å; V234-V240 HydrophobicContact CB-CG2 4.2Å; V234-V240 HydrophobicContact CG1-CG2 3.88Å; V234-V240 HydrophobicContact CG2-CG2 3.78Å; V234-S319 PolarHBondContact N-OG 2.98Å; V234-S319 WeakPolarHBondContact O-CB 3.45Å; V234-S319 PolarHBondContact O-OG 2.9Å; V234-T320 HydrophobicContact CG2-CG2 4.03Å
235	P	87.8	Confident	92.9	Very high	53 Å²	53	35 Å²	35	34%	0.344	19%	0.19	S	C	.	.	S	Bend	trans	-61.7	-43.6	170.5	-22.7	34	0	0	0	112.2	D239 I612	P235-D239 WeakPolarHBondContact CB-OD2 3.25Å; P235-D239 WeakPolarHBondContact CD-OD2 3.46Å; P235-I612 HydrophobicContact CB-CD1 3.88Å; P235-I612 HydrophobicContact CG-CD1 4.1Å
236	S	89.7	Confident	92.9	Very high	34 Å²	34	31.5 Å²	31.5	24%	0.238	18%	0.179	C	C	.	.			trans	-148.3	163.6	-177	74.5	0	0	0	0	112	Q238 D239	S236-Q238 PolarHBondContact O-N 3.41Å; S236-Q238 WeakPolarHBondContact OG-CB 3.34Å; S236-Q238 PolarHBondContact OG-N 3.31Å; S236-D239 PolarHBondContact N-OD2 3.13Å; S236-D239 WeakPolarHBondContact O-CB 3.06Å; S236-D239 PolarHBondContact O-N 2.85Å; S236-D239 PolarHBondContact OG-N 3.39Å; S236-D239 PolarHBondContact OG-OD2 3.22Å
237	E	91.6	Very high	93	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-19.4	170.2	-74.2	-65.9	139.8	0	0	112.6	D239 V240 F241 R267 L270 L271 R317	E237-D239 PolarHBondContact O-N 3.19Å; E237-V240 WeakPolarHBondContact O-CB 3.29Å; E237-V240 PolarHBondContact O-N 2.86Å; E237-F241 PolarHBondContact O-N 3.42Å; E237-F241 VanDerWaalsContact O-N 3.07Å; E237-R267 HydrophobicContact CG-CB 3.96Å; E237-R267 PolarHBondContact OE2-N 3.13Å; E237-R267 VanDerWaalsContact OE2-N 3.08Å; E237-L270 HydrophobicContact CG-CB 4.24Å; E237-L271 VanDerWaalsContact C-CD2 3.47Å; E237-L271 HydrophobicContact CB-CD2 3.53Å; E237-L271 HydrophobicContact CB-CG 4.22Å; E237-R317 WeakPolarHBondContact OE1-CD 3.47Å; E237-R317 WeakPolarHBondContact OE1-CG 3.44Å; E237-R317 IonicContact OE1-CZ 3.56Å; E237-R317 IonicContact OE1-NE 3.89Å; E237-R317 PolarHBondContact OE1-NE 3.17Å; E237-R317 IonicContact OE1-NH2 3.63Å; E237-R317 IonicContact OE2-NE 3.3Å; E237-R317 IonicContact OE2-NH2 3.74Å
238	Q	92.7	Very high	92.9	Very high	57 Å²	57	30.9 Å²	30.9	27%	0.266	18%	0.176	S	C	.	.	H	α-helix	trans	-63.3	-36.4	174.5	-65.2	176.7	-12.3	0	0	110.5	S236 V240 F241 H242 L271 F275	S236-Q238 PolarHBondContact O-N 3.41Å; S236-Q238 WeakPolarHBondContact OG-CB 3.34Å; S236-Q238 PolarHBondContact OG-N 3.31Å; Q238-V240 VanDerWaalsContact C-N 3.33Å; Q238-V240 PolarHBondContact O-N 2.85Å; Q238-F241 PolarHBondContact O-N 3.31Å; Q238-H242 VanDerWaalsContact O-CG 3.28Å; Q238-H242 PolarHBondContact O-N 3.49Å; Q238-H242 PolarHBondContact O-ND1 3.03Å; Q238-L271 HydrophobicContact CB-CD2 4.27Å; Q238-L271 HydrophobicContact CG-CD2 3.58Å; Q238-L271 VanDerWaalsContact N-CD2 3.34Å; Q238-F275 HydrophobicContact CB-CE1 4.39Å; Q238-F275 HydrophobicContact CB-CE2 4.25Å; Q238-F275 HydrophobicContact CB-CZ 4.06Å; Q238-F275 HydrophobicContact CG-CD1 4.05Å; Q238-F275 HydrophobicContact CG-CD2 4.03Å; Q238-F275 HydrophobicContact CG-CE1 4.04Å; Q238-F275 HydrophobicContact CG-CE2 4.02Å; Q238-F275 HydrophobicContact CG-CG 4.04Å; Q238-F275 HydrophobicContact CG-CZ 4.02Å
239	D	93.3	Very high	92.9	Very high	37 Å²	37	36.6 Å²	36.6	20%	0.198	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-38	177.4	-59.1	-68.3	0	0	0	111.6	M207 P235 S236 E237 H242 S243	M207-D239 HydrophobicContact CE-CB 3.83Å; M207-D239 HydrophobicContact SD-CB 3.81Å; P235-D239 WeakPolarHBondContact CB-OD2 3.25Å; P235-D239 WeakPolarHBondContact CD-OD2 3.46Å; S236-D239 PolarHBondContact N-OD2 3.13Å; S236-D239 WeakPolarHBondContact O-CB 3.06Å; S236-D239 PolarHBondContact O-N 2.85Å; S236-D239 PolarHBondContact OG-N 3.39Å; S236-D239 PolarHBondContact OG-OD2 3.22Å; E237-D239 PolarHBondContact O-N 3.19Å; D239-H242 PolarHBondContact O-N 2.91Å; D239-S243 WeakPolarHBondContact O-CB 3.19Å; D239-S243 PolarHBondContact O-N 3.18Å; D239-S243 PolarHBondContact O-OG 3.26Å; D239-S243 VanDerWaalsContact O-OG 3.14Å
240	V	95.1	Very high	92.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-46	174.7	-173.6	0	0	0	0	110.3	L227 V234 E237 Q238 S243 L244 V266	L227-V240 HydrophobicContact CD2-CG1 3.7Å; V234-V240 HydrophobicContact CB-CG2 4.2Å; V234-V240 HydrophobicContact CG1-CG2 3.88Å; V234-V240 HydrophobicContact CG2-CG2 3.78Å; E237-V240 WeakPolarHBondContact O-CB 3.29Å; E237-V240 PolarHBondContact O-N 2.86Å; Q238-V240 VanDerWaalsContact C-N 3.33Å; Q238-V240 PolarHBondContact O-N 2.85Å; V240-S243 PolarHBondContact O-N 3.4Å; V240-L244 PolarHBondContact O-N 3.03Å; V240-V266 HydrophobicContact CG1-CG2 4.19Å
241	F	95	Very high	92.9	Very high	7 Å²	7	40.8 Å²	40.8	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-46	175.4	177.8	-96.1	0	0	0	111.8	E237 Q238 S243 L244 M245 L263 V266 F275 H279 V280	E237-F241 PolarHBondContact O-N 3.42Å; E237-F241 VanDerWaalsContact O-N 3.07Å; Q238-F241 PolarHBondContact O-N 3.31Å; F241-S243 PolarHBondContact O-N 3.27Å; F241-L244 PolarHBondContact O-N 3.29Å; F241-M245 HydrophobicContact CD1-CG 4.12Å; F241-M245 HydrophobicContact CD2-CG 4.49Å; F241-M245 HydrophobicContact CE1-CG 3.68Å; F241-M245 HydrophobicContact CE2-CG 4.07Å; F241-M245 HydrophobicContact CE2-SD 4.31Å; F241-M245 HydrophobicContact CZ-CG 3.66Å; F241-M245 HydrophobicContact CZ-SD 4.13Å; F241-M245 WeakPolarHBondContact O-CG 3.3Å; F241-M245 PolarHBondContact O-N 3.04Å; F241-L263 HydrophobicContact CD2-CD1 3.74Å; F241-L263 HydrophobicContact CE2-CD1 3.76Å; F241-V266 HydrophobicContact CB-CG1 4.17Å; F241-F275 HydrophobicContact CB-CE1 4.48Å; F241-F275 AromaticContact CD1-CE1 3.77Å; F241-F275 HydrophobicContact CD1-CE1 3.77Å; F241-F275 AromaticContact CD1-CZ 3.74Å; F241-F275 HydrophobicContact CD1-CZ 3.74Å; F241-F275 HydrophobicContact CE1-CE1 4.25Å; F241-F275 HydrophobicContact CE1-CZ 4.23Å; F241-F275 HydrophobicContact CG-CE1 4.2Å; F241-H279 HydrophobicContact CE1-CB 4.07Å; F241-H279 HydrophobicContact CZ-CB 4.48Å; F241-V280 HydrophobicContact CD2-CG2 4.23Å; F241-V280 HydrophobicContact CE2-CB 4.45Å; F241-V280 HydrophobicContact CE2-CG1 4.45Å; F241-V280 HydrophobicContact CE2-CG2 3.85Å; F241-V280 HydrophobicContact CZ-CG2 4.08Å
242	H	94.6	Very high	92.8	Very high	87 Å²	87	39.8 Å²	39.8	40%	0.403	20%	0.202	S	C	.	.	H	α-helix	trans	-62.9	-40.1	177.8	-70.2	158.6	0	0	0	112.7	Q238 D239 M245 S246 F275	Q238-H242 VanDerWaalsContact O-CG 3.28Å; Q238-H242 PolarHBondContact O-N 3.49Å; Q238-H242 PolarHBondContact O-ND1 3.03Å; D239-H242 PolarHBondContact O-N 2.91Å; H242-M245 PolarHBondContact O-N 3.25Å; H242-S246 WeakPolarHBondContact O-CB 3.43Å; H242-S246 PolarHBondContact O-N 2.93Å; H242-F275 AromaticContact CE1-CE2 3.99Å; H242-F275 AromaticContact NE2-CE2 3.59Å; H242-F275 AromaticContact NE2-CZ 3.47Å; H242-F275 WeakPolarHBondContact NE2-CZ 3.35Å
243	S	95.4	Very high	92.5	Very high	10 Å²	10	44.5 Å²	44.5	7%	0.07	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-38.6	174.6	-67.2	0	0	0	0	112.5	C210 D239 V240 F241 S246 W247	C210-S243 PolarHBondContact SG-OG 2.85Å; C210-S243 VanDerWaalsContact SG-OG 3.35Å; D239-S243 WeakPolarHBondContact O-CB 3.19Å; D239-S243 PolarHBondContact O-N 3.18Å; D239-S243 PolarHBondContact O-OG 3.26Å; D239-S243 VanDerWaalsContact O-OG 3.14Å; V240-S243 PolarHBondContact O-N 3.4Å; F241-S243 PolarHBondContact O-N 3.27Å; S243-S246 PolarHBondContact O-OG 3.06Å; S243-W247 PolarHBondContact O-N 3.08Å
244	L	95.9	Very high	92.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-48.2	172.3	172.7	59.5	0	0	0	110.8	L223 L227 V240 F241 S246 W247 V248 L262 L263 V266	L223-L244 HydrophobicContact CD2-CD1 4.07Å; L227-L244 HydrophobicContact CD1-CB 4.34Å; L227-L244 HydrophobicContact CD1-CD1 4.1Å; V240-L244 PolarHBondContact O-N 3.03Å; F241-L244 PolarHBondContact O-N 3.29Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 3.5Å; L244-W247 WeakPolarHBondContact O-CB 3.48Å; L244-W247 PolarHBondContact O-N 3.25Å; L244-V248 HydrophobicContact CD1-CG2 4.35Å; L244-V248 WeakPolarHBondContact O-CG2 3.43Å; L244-V248 PolarHBondContact O-N 2.97Å; L244-L262 HydrophobicContact CD1-CB 3.64Å; L244-L262 HydrophobicContact CD1-CD1 3.72Å; L244-L262 HydrophobicContact CD1-CG 4.31Å; L244-L262 HydrophobicContact CD2-CB 4.05Å; L244-L263 HydrophobicContact CD2-CB 4.44Å; L244-L263 HydrophobicContact CD2-CD1 4.36Å; L244-V266 HydrophobicContact CD2-CG2 3.96Å
245	M	94.3	Very high	92.6	Very high	18 Å²	18	45.2 Å²	45.2	9%	0.089	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-32.4	-178.7	-67.8	-51.9	-60.1	0	0	113	F241 H242 V248 R249 V283	F241-M245 HydrophobicContact CD1-CG 4.12Å; F241-M245 HydrophobicContact CD2-CG 4.49Å; F241-M245 HydrophobicContact CE1-CG 3.68Å; F241-M245 HydrophobicContact CE2-CG 4.07Å; F241-M245 HydrophobicContact CE2-SD 4.31Å; F241-M245 HydrophobicContact CZ-CG 3.66Å; F241-M245 HydrophobicContact CZ-SD 4.13Å; F241-M245 WeakPolarHBondContact O-CG 3.3Å; F241-M245 PolarHBondContact O-N 3.04Å; H242-M245 PolarHBondContact O-N 3.25Å; M245-V248 PolarHBondContact O-N 2.77Å; M245-R249 WeakPolarHBondContact O-CB 3.36Å; M245-R249 WeakPolarHBondContact O-CG 3.2Å; M245-R249 PolarHBondContact O-N 3.34Å; M245-V283 HydrophobicContact CE-CB 4.35Å; M245-V283 HydrophobicContact CE-CG1 3.63Å; M245-V283 HydrophobicContact CE-CG2 3.71Å; M245-V283 HydrophobicContact SD-CG1 3.9Å; M245-V283 HydrophobicContact SD-CG2 4.34Å
246	S	94.3	Very high	92.6	Very high	39 Å²	39	48.3 Å²	48.3	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-40	173.4	70.3	0	0	0	0	111.3	H242 S243 L244 R249 H250	H242-S246 WeakPolarHBondContact O-CB 3.43Å; H242-S246 PolarHBondContact O-N 2.93Å; S243-S246 PolarHBondContact O-OG 3.06Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 3.5Å; S246-R249 PolarHBondContact O-N 3.2Å; S246-H250 PolarHBondContact O-N 2.98Å
247	W	96.2	Very high	92.7	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-42.6	174.9	-179	92.3	0	0	0	112.2	F215 L218 A220 L223 S243 L244 H250 R255 L262	F215-W247 HydrophobicContact CE1-CB 3.83Å; F215-W247 HydrophobicContact CE1-CG 4.5Å; F215-W247 HydrophobicContact CZ-CB 4.3Å; L218-W247 WeakPolarHBondContact O-CZ2 3.34Å; L218-W247 PolarHBondContact O-NE1 3.46Å; A220-W247 HydrophobicContact CB-CH2 4.29Å; L223-W247 HydrophobicContact CD2-CB 4.06Å; L223-W247 HydrophobicContact CD2-CD2 3.37Å; L223-W247 HydrophobicContact CD2-CE3 3.61Å; L223-W247 HydrophobicContact CD2-CG 3.57Å; L223-W247 HydrophobicContact CD2-CZ2 4.37Å; L223-W247 HydrophobicContact CD2-CZ3 4.2Å; S243-W247 PolarHBondContact O-N 3.08Å; L244-W247 WeakPolarHBondContact O-CB 3.48Å; L244-W247 PolarHBondContact O-N 3.25Å; W247-H250 PolarHBondContact O-N 3.44Å; W247-R255 HydrophobicContact CE3-CB 4.24Å; W247-R255 HydrophobicContact CE3-CG 4.24Å; W247-R255 HydrophobicContact CH2-CB 4.05Å; W247-R255 HydrophobicContact CH2-CG 3.58Å; W247-R255 HydrophobicContact CZ2-CG 4.11Å; W247-R255 HydrophobicContact CZ3-CB 3.65Å; W247-R255 HydrophobicContact CZ3-CG 3.67Å; W247-R255 VanDerWaalsContact O-CD 3.27Å; W247-R255 WeakPolarHBondContact O-CD 3.39Å; W247-R255 PolarHBondContact O-NH1 3.32Å; W247-L262 HydrophobicContact CE3-CD1 4.31Å; W247-L262 HydrophobicContact CH2-CD1 4.32Å; W247-L262 HydrophobicContact CZ3-CD1 3.78Å
248	V	93.4	Very high	92.7	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-41.6	176.3	174.5	0	0	0	0	111.7	L244 M245 H250 D251 S252 R255 E256 I259	L244-V248 HydrophobicContact CD1-CG2 4.35Å; L244-V248 WeakPolarHBondContact O-CG2 3.43Å; L244-V248 PolarHBondContact O-N 2.97Å; M245-V248 PolarHBondContact O-N 2.77Å; V248-H250 PolarHBondContact O-N 3.14Å; V248-D251 CarbonylContact O-C 3.52Å; V248-D251 VanDerWaalsContact O-C 3.27Å; V248-D251 PolarHBondContact O-N 3.49Å; V248-S252 VanDerWaalsContact O-CA 3.28Å; V248-S252 WeakPolarHBondContact O-CA 3.46Å; V248-S252 PolarHBondContact O-N 3.24Å; V248-S252 VanDerWaalsContact O-N 3.13Å; V248-S252 PolarHBondContact O-OG 3.17Å; V248-R255 HydrophobicContact CG1-CB 4.4Å; V248-E256 HydrophobicContact CG1-CG 4.28Å; V248-I259 HydrophobicContact CG1-CD1 4.06Å; V248-I259 HydrophobicContact CG1-CG1 4.29Å; V248-I259 HydrophobicContact CG2-CG1 4.06Å
249	R	92.3	Very high	92.6	Very high	186 Å²	186	53.6 Å²	53.6	70%	0.702	28%	0.279	S	S	*	.	H	α-helix	trans	-63.6	-22.6	179.8	-75.9	171.6	-172.9	174.3	3.9	113.8	M245 S246 D251	M245-R249 WeakPolarHBondContact O-CB 3.36Å; M245-R249 WeakPolarHBondContact O-CG 3.2Å; M245-R249 PolarHBondContact O-N 3.34Å; S246-R249 PolarHBondContact O-N 3.2Å; R249-D251 VanDerWaalsContact C-N 3.34Å
250	H	92.3	Very high	92.5	Very high	123 Å²	123	53.5 Å²	53.5	57%	0.569	28%	0.281	S	S	*	.	H	α-helix	trans	-69.9	-31.6	179	-165.7	79	0	0	0	112.8	F216 S246 W247 V248	F216-H250 HydrophobicContact CD1-CB 3.78Å; F216-H250 AromaticContact CD1-CG 3.94Å; F216-H250 HydrophobicContact CE1-CB 4.46Å; F216-H250 HydrophobicContact CG-CB 4.45Å; S246-H250 PolarHBondContact O-N 2.98Å; W247-H250 PolarHBondContact O-N 3.44Å; V248-H250 PolarHBondContact O-N 3.14Å
251	D	91.4	Very high	92.4	Very high	67 Å²	67	59.6 Å²	59.6	36%	0.358	31%	0.309	S	S	.	.	S	Bend	trans	-148.9	73	176.5	179.1	9.5	0	0	0	109.7	V248 R249 A253 A254 R255	V248-D251 CarbonylContact O-C 3.52Å; V248-D251 VanDerWaalsContact O-C 3.27Å; V248-D251 PolarHBondContact O-N 3.49Å; R249-D251 VanDerWaalsContact C-N 3.34Å; D251-A253 VanDerWaalsContact C-N 3.27Å; D251-A253 PolarHBondContact O-N 2.9Å; D251-A254 PolarHBondContact O-N 3.49Å; D251-A254 PolarHBondContact OD1-N 3.01Å; D251-A254 WeakPolarHBondContact OD2-CB 3.46Å; D251-R255 HydrophobicContact CB-CG 4.25Å; D251-R255 WeakPolarHBondContact O-CB 3.25Å; D251-R255 WeakPolarHBondContact O-CG 3.42Å; D251-R255 PolarHBondContact O-N 3.07Å
252	S	88	Confident	92.3	Very high	42 Å²	42	59.3 Å²	59.3	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-33.7	-171.7	-52.6	0	0	0	0	112.5	V248 A254 R255 E256	V248-S252 VanDerWaalsContact O-CA 3.28Å; V248-S252 WeakPolarHBondContact O-CA 3.46Å; V248-S252 PolarHBondContact O-N 3.24Å; V248-S252 VanDerWaalsContact O-N 3.13Å; V248-S252 PolarHBondContact O-OG 3.17Å; S252-A254 PolarHBondContact O-N 3.16Å; S252-R255 PolarHBondContact O-N 3.16Å; S252-E256 WeakPolarHBondContact O-CB 3.37Å; S252-E256 WeakPolarHBondContact O-CG 3.47Å; S252-E256 PolarHBondContact O-N 3.25Å; S252-E256 VanDerWaalsContact O-N 3.13Å
253	A	88.1	Confident	92.2	Very high	99 Å²	99	55.3 Å²	55.3	82%	0.818	29%	0.289	S	S	*	.	H	α-helix	trans	-63	-41.7	-178.3	0	0	0	0	0	113	D251	D251-A253 VanDerWaalsContact C-N 3.27Å; D251-A253 PolarHBondContact O-N 2.9Å
254	A	90.8	Very high	92.1	Very high	44 Å²	44	56.4 Å²	56.4	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-90.6	-24.2	179.8	0	0	0	0	0	113.5	D251 S252 Q257	D251-A254 PolarHBondContact O-N 3.49Å; D251-A254 PolarHBondContact OD1-N 3.01Å; D251-A254 WeakPolarHBondContact OD2-CB 3.46Å; S252-A254 PolarHBondContact O-N 3.16Å; A254-Q257 WeakPolarHBondContact O-CG 3.47Å; A254-Q257 PolarHBondContact O-NE2 3.35Å
255	R	92.3	Very high	92	Very high	30 Å²	30	59 Å²	59	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-98.9	-20.3	-168.5	-63.3	176.8	-179.9	-171.3	-3.1	114.8	F216 W247 V248 D251 S252 Q257 H258	F216-R255 PolarHBondContact O-NH1 3.01Å; F216-R255 PolarHBondContact O-NH2 2.92Å; W247-R255 HydrophobicContact CE3-CB 4.24Å; W247-R255 HydrophobicContact CE3-CG 4.24Å; W247-R255 HydrophobicContact CH2-CB 4.05Å; W247-R255 HydrophobicContact CH2-CG 3.58Å; W247-R255 HydrophobicContact CZ2-CG 4.11Å; W247-R255 HydrophobicContact CZ3-CB 3.65Å; W247-R255 HydrophobicContact CZ3-CG 3.67Å; W247-R255 VanDerWaalsContact O-CD 3.27Å; W247-R255 WeakPolarHBondContact O-CD 3.39Å; W247-R255 PolarHBondContact O-NH1 3.32Å; V248-R255 HydrophobicContact CG1-CB 4.4Å; D251-R255 HydrophobicContact CB-CG 4.25Å; D251-R255 WeakPolarHBondContact O-CB 3.25Å; D251-R255 WeakPolarHBondContact O-CG 3.42Å; D251-R255 PolarHBondContact O-N 3.07Å; S252-R255 PolarHBondContact O-N 3.16Å; R255-Q257 PolarHBondContact O-N 2.92Å; R255-H258 PolarHBondContact O-N 3.01Å
256	E	89.1	Confident	92	Very high	117 Å²	117	58.1 Å²	58.1	55%	0.547	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-57.1	-34.5	179.4	-84.9	176.2	-168.1	0	0	113	V248 S252 H258 I259	V248-E256 HydrophobicContact CG1-CG 4.28Å; S252-E256 WeakPolarHBondContact O-CB 3.37Å; S252-E256 WeakPolarHBondContact O-CG 3.47Å; S252-E256 PolarHBondContact O-N 3.25Å; S252-E256 VanDerWaalsContact O-N 3.13Å; E256-H258 PolarHBondContact O-N 2.99Å; E256-I259 HydrophobicContact CB-CD1 4.3Å; E256-I259 HydrophobicContact CG-CD1 4.14Å; E256-I259 WeakPolarHBondContact O-CB 3.49Å; E256-I259 VanDerWaalsContact O-CG1 3.32Å; E256-I259 WeakPolarHBondContact O-CG1 3.39Å; E256-I259 PolarHBondContact O-N 3.46Å
257	Q	89.9	Confident	92	Very high	141 Å²	141	57.1 Å²	57.1	66%	0.659	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-62.4	-24.2	177.5	68	-173.8	-30.8	0	0	114	A254 R255	A254-Q257 WeakPolarHBondContact O-CG 3.47Å; A254-Q257 PolarHBondContact O-NE2 3.35Å; R255-Q257 PolarHBondContact O-N 2.92Å
258	H	91.8	Very high	91.8	Very high	56 Å²	56	56.9 Å²	56.9	26%	0.259	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-91.1	-4.8	-178	-63.9	-68	0	0	0	113.3	A220 R255 E256 E261 L262	A220-H258 HydrophobicContact CB-CB 4.23Å; R255-H258 PolarHBondContact O-N 3.01Å; E256-H258 PolarHBondContact O-N 2.99Å; H258-E261 PolarHBondContact O-N 3.11Å; H258-L262 HydrophobicContact CB-CD1 4.07Å; H258-L262 HydrophobicContact CB-CG 4.49Å; H258-L262 WeakPolarHBondContact O-CG 3.39Å; H258-L262 PolarHBondContact O-N 2.85Å
259	I	91.2	Very high	91.7	Very high	14 Å²	14	56.8 Å²	56.8	7%	0.072	30%	0.297	C	S	.	.	H	α-helix	trans	-54.9	-48.3	-179.5	-67.5	170.5	0	0	0	112	V248 E256 E261 L262 L263 V283	V248-I259 HydrophobicContact CG1-CD1 4.06Å; V248-I259 HydrophobicContact CG1-CG1 4.29Å; V248-I259 HydrophobicContact CG2-CG1 4.06Å; E256-I259 HydrophobicContact CB-CD1 4.3Å; E256-I259 HydrophobicContact CG-CD1 4.14Å; E256-I259 WeakPolarHBondContact O-CB 3.49Å; E256-I259 VanDerWaalsContact O-CG1 3.32Å; E256-I259 WeakPolarHBondContact O-CG1 3.39Å; E256-I259 PolarHBondContact O-N 3.46Å; I259-E261 VanDerWaalsContact C-N 3.32Å; I259-E261 PolarHBondContact O-N 3.26Å; I259-L262 PolarHBondContact O-N 3.37Å; I259-L263 HydrophobicContact CG2-CB 4.46Å; I259-L263 WeakPolarHBondContact O-CB 3.34Å; I259-L263 PolarHBondContact O-N 2.88Å; I259-V283 HydrophobicContact CD1-CG1 3.94Å; I259-V283 HydrophobicContact CG2-CG1 4.14Å
260	P	91.1	Very high	91.5	Very high	35 Å²	35	50.6 Å²	50.6	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-41	-175.9	-23.2	34.2	0	0	0	113.4	A264 A286 E288 C289	P260-A264 PolarHBondContact O-N 2.89Å; P260-A286 HydrophobicContact CG-CB 4.06Å; P260-E288 HydrophobicContact CB-CB 4.17Å; P260-C289 VanDerWaalsContact CA-SG 3.57Å
261	E	92.8	Very high	91.4	Very high	128 Å²	128	45 Å²	45	60%	0.598	25%	0.252	S	S	*	.	H	α-helix	trans	-68.6	-48.7	179.5	-176	-178.8	-176.4	0	0	111.5	H258 I259 A264	H258-E261 PolarHBondContact O-N 3.11Å; I259-E261 VanDerWaalsContact C-N 3.32Å; I259-E261 PolarHBondContact O-N 3.26Å; E261-A264 WeakPolarHBondContact O-CB 3.48Å; E261-A264 PolarHBondContact O-N 2.93Å
262	L	93.6	Very high	91.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-73.8	-32.9	-177.3	-64.9	174.9	0	0	0	112.7	L223 L244 W247 H258 I259 A264 L265	L223-L262 HydrophobicContact CD2-CD1 3.99Å; L244-L262 HydrophobicContact CD1-CB 3.64Å; L244-L262 HydrophobicContact CD1-CD1 3.72Å; L244-L262 HydrophobicContact CD1-CG 4.31Å; L244-L262 HydrophobicContact CD2-CB 4.05Å; W247-L262 HydrophobicContact CE3-CD1 4.31Å; W247-L262 HydrophobicContact CH2-CD1 4.32Å; W247-L262 HydrophobicContact CZ3-CD1 3.78Å; H258-L262 HydrophobicContact CB-CD1 4.07Å; H258-L262 HydrophobicContact CB-CG 4.49Å; H258-L262 WeakPolarHBondContact O-CG 3.39Å; H258-L262 PolarHBondContact O-N 2.85Å; I259-L262 PolarHBondContact O-N 3.37Å; L262-A264 VanDerWaalsContact C-N 3.26Å; L262-A264 PolarHBondContact O-N 3.35Å; L262-L265 HydrophobicContact CD2-CD1 4.3Å; L262-L265 WeakPolarHBondContact O-CB 3.38Å; L262-L265 PolarHBondContact O-N 3.14Å; L262-L265 VanDerWaalsContact O-N 3.12Å
263	L	92.9	Very high	91.3	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-29.2	176.6	-171.7	67.1	0	0	0	111.6	F241 L244 I259 L265 V266 L268 V280 C284 C289 L292	F241-L263 HydrophobicContact CD2-CD1 3.74Å; F241-L263 HydrophobicContact CE2-CD1 3.76Å; L244-L263 HydrophobicContact CD2-CB 4.44Å; L244-L263 HydrophobicContact CD2-CD1 4.36Å; I259-L263 HydrophobicContact CG2-CB 4.46Å; I259-L263 WeakPolarHBondContact O-CB 3.34Å; I259-L263 PolarHBondContact O-N 2.88Å; L263-L265 PolarHBondContact O-N 3.08Å; L263-V266 HydrophobicContact CD1-CB 4.4Å; L263-V266 HydrophobicContact CD1-CG2 4.36Å; L263-V266 WeakPolarHBondContact O-CB 3.49Å; L263-V266 PolarHBondContact O-N 3.07Å; L263-L268 HydrophobicContact CD1-CD2 4.05Å; L263-L268 HydrophobicContact CG-CD1 4.36Å; L263-V280 HydrophobicContact CD2-CG1 4.14Å; L263-C284 WeakPolarHBondContact CD2-SG 3.46Å; L263-C289 HydrophobicContact CD2-CB 4.41Å; L263-L292 HydrophobicContact CB-CD1 4.35Å; L263-L292 HydrophobicContact CD2-CD1 4.38Å; L263-L292 HydrophobicContact CG-CD1 4.28Å
264	A	92.3	Very high	91.3	Very high	33 Å²	33	46.3 Å²	46.3	27%	0.273	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.1	173.2	0	0	0	0	0	112.7	P260 E261 L262 L292 R313	P260-A264 PolarHBondContact O-N 2.89Å; E261-A264 WeakPolarHBondContact O-CB 3.48Å; E261-A264 PolarHBondContact O-N 2.93Å; L262-A264 VanDerWaalsContact C-N 3.26Å; L262-A264 PolarHBondContact O-N 3.35Å; A264-L292 HydrophobicContact CB-CD1 4.03Å; A264-L292 HydrophobicContact CB-CD2 4.17Å; A264-R313 WeakPolarHBondContact O-CD 3.45Å
265	L	94.3	Very high	91.3	Very high	56 Å²	56	45 Å²	45	29%	0.293	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.2	176.5	-54	174.5	0	0	0	113.2	G224 L227 L262 L263 R317	G224-L265 VanDerWaalsContact CA-CD1 3.48Å; G224-L265 WeakPolarHBondContact O-CD1 3.27Å; L227-L265 HydrophobicContact CB-CB 4.08Å; L227-L265 HydrophobicContact CB-CD1 4.27Å; L262-L265 HydrophobicContact CD2-CD1 4.3Å; L262-L265 WeakPolarHBondContact O-CB 3.38Å; L262-L265 PolarHBondContact O-N 3.14Å; L262-L265 VanDerWaalsContact O-N 3.12Å; L263-L265 PolarHBondContact O-N 3.08Å; L265-R317 PolarHBondContact O-NH2 3.16Å
266	V	94.2	Very high	91.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-86.2	132.1	171.2	-174	0	0	0	0	108.8	V240 F241 L244 L263 L268	V240-V266 HydrophobicContact CG1-CG2 4.19Å; F241-V266 HydrophobicContact CB-CG1 4.17Å; L244-V266 HydrophobicContact CD2-CG2 3.96Å; L263-V266 HydrophobicContact CD1-CB 4.4Å; L263-V266 HydrophobicContact CD1-CG2 4.36Å; L263-V266 WeakPolarHBondContact O-CB 3.49Å; L263-V266 PolarHBondContact O-N 3.07Å; V266-L268 HydrophobicContact CB-CD2 4.23Å; V266-L268 HydrophobicContact CG1-CD2 4Å; V266-L268 PolarHBondContact O-N 2.97Å
267	R	93.4	Very high	90.9	Very high	17 Å²	17	42.4 Å²	42.4	6%	0.064	22%	0.223	C	C	.	.			trans	-83.4	68.2	-173.1	-55.9	-173.7	-172.4	-179.8	2.6	111.1	D230 E237 P269 L270 R313 T315 P316 R317	D230-R267 IonicContact OD1-CZ 3.51Å; D230-R267 IonicContact OD1-NH1 3.27Å; D230-R267 PolarHBondContact OD1-NH1 3.16Å; D230-R267 IonicContact OD1-NH2 3.7Å; D230-R267 PolarHBondContact OD1-NH2 2.76Å; E237-R267 HydrophobicContact CG-CB 3.96Å; E237-R267 PolarHBondContact OE2-N 3.13Å; E237-R267 VanDerWaalsContact OE2-N 3.08Å; R267-P269 VanDerWaalsContact C-N 3.3Å; R267-L270 HydrophobicContact CB-CB 4.45Å; R267-L270 HydrophobicContact CB-CD1 3.79Å; R267-L270 HydrophobicContact CB-CG 4.16Å; R267-L270 WeakPolarHBondContact O-CB 3.49Å; R267-L270 PolarHBondContact O-N 2.87Å; R267-R313 WeakPolarHBondContact CB-O 3.43Å; R267-T315 WeakPolarHBondContact CD-O 3.39Å; R267-T315 PolarHBondContact NH1-O 3.13Å; R267-P316 PolarHBondContact NH1-O 3.4Å; R267-R317 VanDerWaalsContact NH1-CA 3.35Å
268	L	92.2	Very high	90.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-50.2	-39	-176.9	-54.7	-175.4	0	0	0	114.5	L263 V266 L270 L271 I276 V280 L292 A296	L263-L268 HydrophobicContact CD1-CD2 4.05Å; L263-L268 HydrophobicContact CG-CD1 4.36Å; V266-L268 HydrophobicContact CB-CD2 4.23Å; V266-L268 HydrophobicContact CG1-CD2 4Å; V266-L268 PolarHBondContact O-N 2.97Å; L268-L270 PolarHBondContact O-N 2.74Å; L268-L271 HydrophobicContact CD2-CD1 3.63Å; L268-L271 WeakPolarHBondContact O-CB 3.34Å; L268-L271 PolarHBondContact O-N 2.71Å; L268-I276 WeakPolarHBondContact O-CD1 3.36Å; L268-V280 HydrophobicContact CD1-CG1 4.12Å; L268-V280 HydrophobicContact CD2-CG1 4.24Å; L268-V280 HydrophobicContact CD2-CG2 4.32Å; L268-L292 HydrophobicContact CD1-CB 3.75Å; L268-A296 HydrophobicContact CB-CB 3.99Å
269	P	91.3	Very high	90.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60	-13.3	176.5	-24.8	35.5	0	0	0	115.3	R267 A296 W299 H300 T314	R267-P269 VanDerWaalsContact C-N 3.3Å; P269-A296 HydrophobicContact CG-CB 4.26Å; P269-W299 HydrophobicContact CB-CB 3.97Å; P269-W299 HydrophobicContact CB-CG 3.82Å; P269-H300 PolarHBondContact O-CE1 3.3Å; P269-H300 PolarHBondContact O-NE2 3.02Å; P269-T314 HydrophobicContact CB-CG2 3.95Å; P269-T314 HydrophobicContact CG-CG2 3.98Å
270	L	89.3	Confident	90	Very high	56 Å²	56	41.1 Å²	41.1	29%	0.293	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-100.9	-2.2	178.9	-55.5	179.7	0	0	0	113.1	E237 R267 L268 P316	E237-L270 HydrophobicContact CG-CB 4.24Å; R267-L270 HydrophobicContact CB-CB 4.45Å; R267-L270 HydrophobicContact CB-CD1 3.79Å; R267-L270 HydrophobicContact CB-CG 4.16Å; R267-L270 WeakPolarHBondContact O-CB 3.49Å; R267-L270 PolarHBondContact O-N 2.87Å; L268-L270 PolarHBondContact O-N 2.74Å; L270-P316 HydrophobicContact CD1-CB 3.82Å; L270-P316 HydrophobicContact CD1-CG 3.96Å; L270-P316 HydrophobicContact CD2-CG 4.16Å
271	L	90.1	Very high	89.4	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	23%	0.234	C	C	.	.	S	Bend	trans	-79.4	160.6	172.4	-63.2	174.3	0	0	0	110.8	E237 Q238 L268 F275 I276 V280 H300	E237-L271 VanDerWaalsContact C-CD2 3.47Å; E237-L271 HydrophobicContact CB-CD2 3.53Å; E237-L271 HydrophobicContact CB-CG 4.22Å; Q238-L271 HydrophobicContact CB-CD2 4.27Å; Q238-L271 HydrophobicContact CG-CD2 3.58Å; Q238-L271 VanDerWaalsContact N-CD2 3.34Å; L268-L271 HydrophobicContact CD2-CD1 3.63Å; L268-L271 WeakPolarHBondContact O-CB 3.34Å; L268-L271 PolarHBondContact O-N 2.71Å; L271-F275 HydrophobicContact CD1-CD1 4.08Å; L271-F275 HydrophobicContact CD1-CE1 4.25Å; L271-F275 HydrophobicContact CD2-CD1 4.33Å; L271-F275 HydrophobicContact CD2-CE1 4.48Å; L271-I276 HydrophobicContact CB-CD1 4.1Å; L271-I276 HydrophobicContact CB-CG1 3.8Å; L271-I276 HydrophobicContact CD1-CG1 4.36Å; L271-V280 HydrophobicContact CD1-CG2 4.29Å; L271-H300 PolarHBondContact O-CE1 3.46Å; L271-H300 VanDerWaalsContact O-CE1 3.25Å; L271-H300 PolarHBondContact O-NE2 3.37Å; L271-H300 VanDerWaalsContact O-NE2 3.13Å
272	Q	88.6	Confident	88.6	Confident	132 Å²	132	44.4 Å²	44.4	62%	0.617	24%	0.236	S	C	*	.			trans	-71.9	139.3	171.6	-68.2	-164.8	-13.3	0	0	110.7	A274 F275 I276	Q272-A274 VanDerWaalsContact C-N 3.28Å; Q272-A274 PolarHBondContact O-N 2.83Å; Q272-F275 HydrophobicContact CB-CB 4.48Å; Q272-F275 WeakPolarHBondContact O-CB 3.09Å; Q272-F275 PolarHBondContact O-N 3.31Å; Q272-I276 PolarHBondContact O-N 2.98Å
273	P	88.4	Confident	87.8	Confident	54 Å²	54	46.3 Å²	46.3	35%	0.351	25%	0.248	S	C	.	.	H	α-helix	trans	-54.1	-39	-179	-29.3	35.1	0	0	0	114.6	F275 I276 M277 F297 H300	P273-F275 VanDerWaalsContact C-N 3.34Å; P273-F275 PolarHBondContact O-N 3.37Å; P273-I276 PolarHBondContact O-N 2.94Å; P273-M277 PolarHBondContact O-N 3.43Å; P273-F297 HydrophobicContact CB-CE1 4.42Å; P273-H300 HydrophobicContact CG-CB 4.49Å
274	A	88.3	Confident	86.8	Confident	49 Å²	49	46.4 Å²	46.4	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-42.7	176.5	0	0	0	0	0	112	Q272 I276 M277 D278	Q272-A274 VanDerWaalsContact C-N 3.28Å; Q272-A274 PolarHBondContact O-N 2.83Å; A274-I276 VanDerWaalsContact C-N 3.34Å; A274-I276 PolarHBondContact O-N 2.61Å; A274-M277 PolarHBondContact O-N 2.94Å; A274-D278 WeakPolarHBondContact O-CB 3.49Å; A274-D278 VanDerWaalsContact O-CG 3.24Å; A274-D278 PolarHBondContact O-N 3.31Å
275	F	90	Very high	85.6	Confident	18 Å²	18	52 Å²	52	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-65.1	-38.5	178.6	-174	-89.1	0	0	0	112.2	Q238 F241 H242 L271 Q272 P273 D278 H279 V280	Q238-F275 HydrophobicContact CB-CE1 4.39Å; Q238-F275 HydrophobicContact CB-CE2 4.25Å; Q238-F275 HydrophobicContact CB-CZ 4.06Å; Q238-F275 HydrophobicContact CG-CD1 4.05Å; Q238-F275 HydrophobicContact CG-CD2 4.03Å; Q238-F275 HydrophobicContact CG-CE1 4.04Å; Q238-F275 HydrophobicContact CG-CE2 4.02Å; Q238-F275 HydrophobicContact CG-CG 4.04Å; Q238-F275 HydrophobicContact CG-CZ 4.02Å; F241-F275 HydrophobicContact CB-CE1 4.48Å; F241-F275 AromaticContact CD1-CE1 3.77Å; F241-F275 HydrophobicContact CD1-CE1 3.77Å; F241-F275 AromaticContact CD1-CZ 3.74Å; F241-F275 HydrophobicContact CD1-CZ 3.74Å; F241-F275 HydrophobicContact CE1-CE1 4.25Å; F241-F275 HydrophobicContact CE1-CZ 4.23Å; F241-F275 HydrophobicContact CG-CE1 4.2Å; H242-F275 AromaticContact CE1-CE2 3.99Å; H242-F275 AromaticContact NE2-CE2 3.59Å; H242-F275 AromaticContact NE2-CZ 3.47Å; H242-F275 WeakPolarHBondContact NE2-CZ 3.35Å; L271-F275 HydrophobicContact CD1-CD1 4.08Å; L271-F275 HydrophobicContact CD1-CE1 4.25Å; L271-F275 HydrophobicContact CD2-CD1 4.33Å; L271-F275 HydrophobicContact CD2-CE1 4.48Å; Q272-F275 HydrophobicContact CB-CB 4.48Å; Q272-F275 WeakPolarHBondContact O-CB 3.09Å; Q272-F275 PolarHBondContact O-N 3.31Å; P273-F275 VanDerWaalsContact C-N 3.34Å; P273-F275 PolarHBondContact O-N 3.37Å; F275-D278 PolarHBondContact O-N 3.22Å; F275-H279 AromaticContact CD2-ND1 3.77Å; F275-H279 HydrophobicContact CE1-CB 4.25Å; F275-H279 HydrophobicContact CE2-CB 4.41Å; F275-H279 AromaticContact CE2-CG 3.96Å; F275-H279 AromaticContact CE2-ND1 3.92Å; F275-H279 HydrophobicContact CZ-CB 4.17Å; F275-H279 WeakPolarHBondContact O-CB 3.2Å; F275-H279 PolarHBondContact O-N 3.2Å; F275-V280 HydrophobicContact CD1-CG2 4.45Å; F275-V280 HydrophobicContact CE1-CG2 4.4Å
276	I	88.7	Confident	84.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	I	π-helix	trans	-61.5	-46.9	177.8	-60.4	171.3	0	0	0	110.4	L268 L271 Q272 P273 A274 V280 E281 V293 A296 F297	L268-I276 WeakPolarHBondContact O-CD1 3.36Å; L271-I276 HydrophobicContact CB-CD1 4.1Å; L271-I276 HydrophobicContact CB-CG1 3.8Å; L271-I276 HydrophobicContact CD1-CG1 4.36Å; Q272-I276 PolarHBondContact O-N 2.98Å; P273-I276 PolarHBondContact O-N 2.94Å; A274-I276 VanDerWaalsContact C-N 3.34Å; A274-I276 PolarHBondContact O-N 2.61Å; I276-V280 HydrophobicContact CG2-CB 4.3Å; I276-V280 WeakPolarHBondContact O-CB 3.46Å; I276-V280 PolarHBondContact O-N 3.27Å; I276-V280 VanDerWaalsContact O-N 3.08Å; I276-E281 PolarHBondContact O-N 3.43Å; I276-V293 HydrophobicContact CG2-CG1 3.92Å; I276-V293 HydrophobicContact CG2-CG2 4.44Å; I276-A296 HydrophobicContact CD1-CB 3.87Å; I276-F297 HydrophobicContact CB-CZ 4.46Å; I276-F297 HydrophobicContact CG2-CE2 4.08Å; I276-F297 HydrophobicContact CG2-CZ 4.09Å
277	M	85.7	Confident	84.1	Confident	91 Å²	91	55.7 Å²	55.7	45%	0.448	30%	0.299	S	S	.	.	I	π-helix	trans	-63.9	-49.3	177.7	-66.1	-172.9	-59.5	0	0	111.8	P273 A274 H279 F297	P273-M277 PolarHBondContact O-N 3.43Å; A274-M277 PolarHBondContact O-N 2.94Å; M277-H279 PolarHBondContact O-N 3.4Å; M277-F297 HydrophobicContact CG-CE1 4.25Å; M277-F297 HydrophobicContact CG-CZ 3.61Å; M277-F297 HydrophobicContact SD-CZ 4.42Å
278	D	86.2	Confident	83.6	Confident	98 Å²	98	60.3 Å²	60.3	52%	0.524	32%	0.321	S	S	.	.	I	π-helix	trans	-73.3	-31.2	-170.3	-67.3	-17.5	0	0	0	113.1	A274 F275 N282	A274-D278 WeakPolarHBondContact O-CB 3.49Å; A274-D278 VanDerWaalsContact O-CG 3.24Å; A274-D278 PolarHBondContact O-N 3.31Å; F275-D278 PolarHBondContact O-N 3.22Å; D278-N282 PolarHBondContact O-ND2 3.46Å
279	H	85.2	Confident	83.2	Confident	86 Å²	86	60.4 Å²	60.4	40%	0.398	32%	0.322	S	S	.	.	I	π-helix	trans	-119.9	-45.4	-169.6	-61.3	75.8	0	0	0	113.3	F241 F275 M277 V283	F241-H279 HydrophobicContact CE1-CB 4.07Å; F241-H279 HydrophobicContact CZ-CB 4.48Å; F275-H279 AromaticContact CD2-ND1 3.77Å; F275-H279 HydrophobicContact CE1-CB 4.25Å; F275-H279 HydrophobicContact CE2-CB 4.41Å; F275-H279 AromaticContact CE2-CG 3.96Å; F275-H279 AromaticContact CE2-ND1 3.92Å; F275-H279 HydrophobicContact CZ-CB 4.17Å; F275-H279 WeakPolarHBondContact O-CB 3.2Å; F275-H279 PolarHBondContact O-N 3.2Å; M277-H279 PolarHBondContact O-N 3.4Å; H279-V283 WeakPolarHBondContact O-CG2 3.4Å
280	V	82.5	Confident	83	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.344	C	S	.	.	I	π-helix	trans	-75.9	-47.7	-172.5	-175.7	0	0	0	0	110.1	F241 L263 L268 L271 F275 I276 N282 V283 C284 V293	F241-V280 HydrophobicContact CD2-CG2 4.23Å; F241-V280 HydrophobicContact CE2-CB 4.45Å; F241-V280 HydrophobicContact CE2-CG1 4.45Å; F241-V280 HydrophobicContact CE2-CG2 3.85Å; F241-V280 HydrophobicContact CZ-CG2 4.08Å; L263-V280 HydrophobicContact CD2-CG1 4.14Å; L268-V280 HydrophobicContact CD1-CG1 4.12Å; L268-V280 HydrophobicContact CD2-CG1 4.24Å; L268-V280 HydrophobicContact CD2-CG2 4.32Å; L271-V280 HydrophobicContact CD1-CG2 4.29Å; F275-V280 HydrophobicContact CD1-CG2 4.45Å; F275-V280 HydrophobicContact CE1-CG2 4.4Å; I276-V280 HydrophobicContact CG2-CB 4.3Å; I276-V280 WeakPolarHBondContact O-CB 3.46Å; I276-V280 PolarHBondContact O-N 3.27Å; I276-V280 VanDerWaalsContact O-N 3.08Å; V280-N282 VanDerWaalsContact C-N 3.27Å; V280-N282 PolarHBondContact O-N 2.94Å; V280-V283 PolarHBondContact O-N 3.46Å; V280-C284 PolarHBondContact O-N 3.29Å; V280-C284 PolarHBondContact O-SG 2.84Å; V280-V293 HydrophobicContact CG1-CG2 3.9Å
281	E	78.1	Confident	83	Confident	109 Å²	109	68.4 Å²	68.4	51%	0.509	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-57.2	-39.6	-178.7	-167.5	169.8	-175.2	0	0	112.5	I276 V283 C284	I276-E281 PolarHBondContact O-N 3.43Å; E281-V283 PolarHBondContact O-N 3.45Å; E281-C284 PolarHBondContact O-N 2.93Å; E281-C284 VanDerWaalsContact O-N 3.1Å
282	N	76.3	Confident	83	Confident	123 Å²	123	69.3 Å²	69.3	66%	0.658	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-64.1	-22.9	179.4	-75.2	-32.8	0	0	0	114.6	D278 V280	D278-N282 PolarHBondContact O-ND2 3.46Å; V280-N282 VanDerWaalsContact C-N 3.27Å; V280-N282 PolarHBondContact O-N 2.94Å
283	V	76	Confident	83.1	Confident	41 Å²	41	63.6 Å²	63.6	25%	0.248	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-95	-16.8	179.1	-177.4	0	0	0	0	111	M245 I259 H279 V280 E281 N285	M245-V283 HydrophobicContact CE-CB 4.35Å; M245-V283 HydrophobicContact CE-CG1 3.63Å; M245-V283 HydrophobicContact CE-CG2 3.71Å; M245-V283 HydrophobicContact SD-CG1 3.9Å; M245-V283 HydrophobicContact SD-CG2 4.34Å; I259-V283 HydrophobicContact CD1-CG1 3.94Å; I259-V283 HydrophobicContact CG2-CG1 4.14Å; H279-V283 WeakPolarHBondContact O-CG2 3.4Å; V280-V283 PolarHBondContact O-N 3.46Å; E281-V283 PolarHBondContact O-N 3.45Å; V283-N285 PolarHBondContact O-N 2.92Å
284	C	70.9	Confident	83.1	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.034	35%	0.351	C	S	.	.			trans	-94.7	72.4	-169.1	-67.7	0	0	0	0	112.7	L263 V280 E281 C289	L263-C284 WeakPolarHBondContact CD2-SG 3.46Å; V280-C284 PolarHBondContact O-N 3.29Å; V280-C284 PolarHBondContact O-SG 2.84Å; E281-C284 PolarHBondContact O-N 2.93Å; E281-C284 VanDerWaalsContact O-N 3.1Å; C284-C289 HydrophobicContact CB-CB 3.39Å; C284-C289 WeakPolarHBondContact SG-CB 3.37Å
285	N	68.7	Low	83.2	Confident	151 Å²	151	67.7 Å²	67.7	81%	0.807	34%	0.344	S	S	*	.			trans	-79.9	-18.4	174.9	-68.7	-27.6	0	0	0	113.7	V283	V283-N285 PolarHBondContact O-N 2.92Å
286	A	75.9	Confident	83.3	Confident	31 Å²	31	66.8 Å²	66.8	26%	0.256	34%	0.34	S	S	.	.	S	Bend	trans	-85.7	147.1	-179.5	0	0	0	0	0	112	P260 E288 C289 Q290	P260-A286 HydrophobicContact CG-CB 4.06Å; A286-E288 VanDerWaalsContact C-N 3.25Å; A286-E288 PolarHBondContact O-N 3.48Å; A286-C289 PolarHBondContact O-N 3.04Å; A286-C289 VanDerWaalsContact O-N 3.17Å; A286-Q290 PolarHBondContact O-N 3.08Å
287	N	80.7	Confident	83.3	Confident	102 Å²	102	69.4 Å²	69.4	55%	0.545	35%	0.352	S	S	.	.	H	α-helix	trans	-63.4	-34.4	-177.8	-164.7	18.1	0	0	0	111.5	C289 Q290 Q291	N287-C289 VanDerWaalsContact C-N 3.35Å; N287-C289 PolarHBondContact O-N 3.15Å; N287-Q290 PolarHBondContact O-N 3.26Å; N287-Q291 PolarHBondContact O-N 3.48Å
288	E	83.4	Confident	83.6	Confident	114 Å²	114	70 Å²	70	53%	0.533	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-45.1	175.6	-63.4	79.3	-175	0	0	111.1	P260 A286 Q290 Q291 L292	P260-E288 HydrophobicContact CB-CB 4.17Å; A286-E288 VanDerWaalsContact C-N 3.25Å; A286-E288 PolarHBondContact O-N 3.48Å; E288-Q290 VanDerWaalsContact C-N 3.33Å; E288-Q290 PolarHBondContact O-N 3.03Å; E288-Q291 WeakPolarHBondContact O-CB 3.38Å; E288-Q291 PolarHBondContact O-N 3.39Å; E288-L292 PolarHBondContact O-N 2.73Å
289	C	84	Confident	83.7	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.014	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-36.1	178.8	-64.3	0	0	0	0	112.4	P260 L263 C284 A286 N287 Q291 L292 V293	P260-C289 VanDerWaalsContact CA-SG 3.57Å; L263-C289 HydrophobicContact CD2-CB 4.41Å; C284-C289 HydrophobicContact CB-CB 3.39Å; C284-C289 WeakPolarHBondContact SG-CB 3.37Å; A286-C289 PolarHBondContact O-N 3.04Å; A286-C289 VanDerWaalsContact O-N 3.17Å; N287-C289 VanDerWaalsContact C-N 3.35Å; N287-C289 PolarHBondContact O-N 3.15Å; C289-Q291 VanDerWaalsContact C-N 3.29Å; C289-Q291 PolarHBondContact O-N 2.92Å; C289-L292 WeakPolarHBondContact O-CB 3.42Å; C289-L292 PolarHBondContact O-N 2.9Å; C289-L292 VanDerWaalsContact O-N 3.14Å; C289-V293 PolarHBondContact O-N 2.79Å; C289-V293 VanDerWaalsContact O-N 3.11Å
290	Q	85.8	Confident	83.7	Confident	103 Å²	103	65.2 Å²	65.2	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-63.2	-35.8	175.8	-67.3	-178.4	-12.8	0	0	111.9	A286 N287 E288 L292 V293 M294	A286-Q290 PolarHBondContact O-N 3.08Å; N287-Q290 PolarHBondContact O-N 3.26Å; E288-Q290 VanDerWaalsContact C-N 3.33Å; E288-Q290 PolarHBondContact O-N 3.03Å; Q290-L292 VanDerWaalsContact C-N 3.32Å; Q290-L292 PolarHBondContact O-N 2.74Å; Q290-V293 PolarHBondContact O-N 2.72Å; Q290-M294 WeakPolarHBondContact O-CB 3.46Å; Q290-M294 PolarHBondContact O-N 3.42Å
291	Q	89.6	Confident	84	Confident	122 Å²	122	71.7 Å²	71.7	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-62.4	-40.6	173.4	-65.7	176.2	3.7	0	0	111.6	N287 E288 C289 V293 M294 E295	N287-Q291 PolarHBondContact O-N 3.48Å; E288-Q291 WeakPolarHBondContact O-CB 3.38Å; E288-Q291 PolarHBondContact O-N 3.39Å; C289-Q291 VanDerWaalsContact C-N 3.29Å; C289-Q291 PolarHBondContact O-N 2.92Å; Q291-V293 PolarHBondContact O-N 3.46Å; Q291-M294 PolarHBondContact O-N 2.97Å; Q291-E295 PolarHBondContact O-N 2.94Å
292	L	90.3	Very high	84.2	Confident	24 Å²	24	69.9 Å²	69.9	13%	0.126	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-41	178.2	-55.2	175.9	0	0	0	111.9	L263 A264 L268 E288 C289 Q290 A296	L263-L292 HydrophobicContact CB-CD1 4.35Å; L263-L292 HydrophobicContact CD2-CD1 4.38Å; L263-L292 HydrophobicContact CG-CD1 4.28Å; A264-L292 HydrophobicContact CB-CD1 4.03Å; A264-L292 HydrophobicContact CB-CD2 4.17Å; L268-L292 HydrophobicContact CD1-CB 3.75Å; E288-L292 PolarHBondContact O-N 2.73Å; C289-L292 WeakPolarHBondContact O-CB 3.42Å; C289-L292 PolarHBondContact O-N 2.9Å; C289-L292 VanDerWaalsContact O-N 3.14Å; Q290-L292 VanDerWaalsContact C-N 3.32Å; Q290-L292 PolarHBondContact O-N 2.74Å; L292-A296 PolarHBondContact O-N 2.96Å
293	V	89.9	Confident	84.1	Confident	13 Å²	13	67.6 Å²	67.6	8%	0.079	34%	0.343	C	S	.	.	H	α-helix	trans	-66	-43.3	176.3	172.2	0	0	0	0	110.8	I276 V280 C289 Q290 Q291 E295 A296 F297	I276-V293 HydrophobicContact CG2-CG1 3.92Å; I276-V293 HydrophobicContact CG2-CG2 4.44Å; V280-V293 HydrophobicContact CG1-CG2 3.9Å; C289-V293 PolarHBondContact O-N 2.79Å; C289-V293 VanDerWaalsContact O-N 3.11Å; Q290-V293 PolarHBondContact O-N 2.72Å; Q291-V293 PolarHBondContact O-N 3.46Å; V293-E295 VanDerWaalsContact C-N 3.34Å; V293-E295 PolarHBondContact O-N 2.84Å; V293-A296 WeakPolarHBondContact O-CB 3.34Å; V293-A296 PolarHBondContact O-N 2.94Å; V293-A296 VanDerWaalsContact O-N 3.16Å; V293-F297 HydrophobicContact CG1-CD2 3.7Å; V293-F297 HydrophobicContact CG1-CE2 3.42Å; V293-F297 VanDerWaalsContact CG1-CE2 3.42Å; V293-F297 VanDerWaalsContact O-CD2 3.3Å; V293-F297 WeakPolarHBondContact O-CD2 3.31Å; V293-F297 PolarHBondContact O-N 3.17Å
294	M	88.9	Confident	83.9	Confident	133 Å²	133	74.6 Å²	74.6	66%	0.655	37%	0.373	S	S	*	.	H	α-helix	trans	-64.1	-38.3	178.6	-158.3	-173.5	-55.9	0	0	112.2	Q290 Q291 F297 K298	Q290-M294 WeakPolarHBondContact O-CB 3.46Å; Q290-M294 PolarHBondContact O-N 3.42Å; Q291-M294 PolarHBondContact O-N 2.97Å; M294-F297 PolarHBondContact O-N 2.8Å; M294-K298 WeakPolarHBondContact O-CB 3.42Å; M294-K298 PolarHBondContact O-N 3.23Å
295	E	91.3	Very high	84.1	Confident	55 Å²	55	81.2 Å²	81.2	26%	0.257	40%	0.397	S	S	.	.	H	α-helix	trans	-59.4	-46.3	171.5	-177.3	-179	154.5	0	0	111.4	Q291 V293 F297 K298 W299 T311 R313	Q291-E295 PolarHBondContact O-N 2.94Å; V293-E295 VanDerWaalsContact C-N 3.34Å; V293-E295 PolarHBondContact O-N 2.84Å; E295-F297 PolarHBondContact O-N 3.42Å; E295-K298 WeakPolarHBondContact O-CB 3.44Å; E295-K298 PolarHBondContact O-N 3.39Å; E295-W299 PolarHBondContact O-N 2.99Å; E295-T311 PolarHBondContact OE1-OG1 3.45Å; E295-R313 IonicContact OE1-CZ 3.54Å; E295-R313 IonicContact OE1-NE 3.98Å; E295-R313 IonicContact OE1-NH2 3.67Å; E295-R313 IonicContact OE2-CZ 3.31Å; E295-R313 IonicContact OE2-NE 2.72Å; E295-R313 IonicContact OE2-NH2 2.67Å; E295-R313 PolarHBondContact OE2-NH2 3.13Å
296	A	90.6	Very high	84.6	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.4	-45.6	179.3	0	0	0	0	0	111.9	L268 P269 I276 L292 V293 K298 W299 H300	L268-A296 HydrophobicContact CB-CB 3.99Å; P269-A296 HydrophobicContact CG-CB 4.26Å; I276-A296 HydrophobicContact CD1-CB 3.87Å; L292-A296 PolarHBondContact O-N 2.96Å; V293-A296 WeakPolarHBondContact O-CB 3.34Å; V293-A296 PolarHBondContact O-N 2.94Å; V293-A296 VanDerWaalsContact O-N 3.16Å; A296-K298 PolarHBondContact O-N 2.83Å; A296-W299 WeakPolarHBondContact O-CB 3.3Å; A296-W299 PolarHBondContact O-N 3.46Å; A296-H300 PolarHBondContact O-CD2 3.39Å; A296-H300 PolarHBondContact O-N 3.21Å; A296-H300 VanDerWaalsContact O-N 3.16Å
297	F	90.3	Very high	84.4	Confident	55 Å²	55	81 Å²	81	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-62.9	-40.7	175.1	-76.7	-62.6	0	0	0	112.7	P273 I276 M277 V293 M294 E295 W299 H300 L301	P273-F297 HydrophobicContact CB-CE1 4.42Å; I276-F297 HydrophobicContact CB-CZ 4.46Å; I276-F297 HydrophobicContact CG2-CE2 4.08Å; I276-F297 HydrophobicContact CG2-CZ 4.09Å; M277-F297 HydrophobicContact CG-CE1 4.25Å; M277-F297 HydrophobicContact CG-CZ 3.61Å; M277-F297 HydrophobicContact SD-CZ 4.42Å; V293-F297 HydrophobicContact CG1-CD2 3.7Å; V293-F297 HydrophobicContact CG1-CE2 3.42Å; V293-F297 VanDerWaalsContact CG1-CE2 3.42Å; V293-F297 VanDerWaalsContact O-CD2 3.3Å; V293-F297 WeakPolarHBondContact O-CD2 3.31Å; V293-F297 PolarHBondContact O-N 3.17Å; M294-F297 PolarHBondContact O-N 2.8Å; E295-F297 PolarHBondContact O-N 3.42Å; F297-W299 VanDerWaalsContact C-N 3.26Å; F297-W299 PolarHBondContact O-N 3.2Å; F297-H300 PolarHBondContact O-N 3.01Å; F297-L301 WeakPolarHBondContact O-CB 3.34Å; F297-L301 VanDerWaalsContact O-CG 3.25Å; F297-L301 WeakPolarHBondContact O-CG 3.24Å; F297-L301 PolarHBondContact O-N 3.36Å
298	K	90.1	Very high	84.1	Confident	104 Å²	104	86.1 Å²	86.1	45%	0.452	40%	0.403	S	S	.	.	H	α-helix	trans	-59.1	-38.8	175.6	-173.5	-178.7	178.9	-174.7	0	111.7	M294 E295 A296 L301 M302 I309	M294-K298 WeakPolarHBondContact O-CB 3.42Å; M294-K298 PolarHBondContact O-N 3.23Å; E295-K298 WeakPolarHBondContact O-CB 3.44Å; E295-K298 PolarHBondContact O-N 3.39Å; A296-K298 PolarHBondContact O-N 2.83Å; K298-L301 PolarHBondContact O-N 3.37Å; K298-M302 HydrophobicContact CG-CE 4.42Å; K298-M302 HydrophobicContact CG-SD 4.15Å; K298-M302 WeakPolarHBondContact O-CB 3.37Å; K298-M302 PolarHBondContact O-N 3.5Å; K298-M302 VanDerWaalsContact O-N 3.14Å; K298-I309 HydrophobicContact CG-CD1 4.4Å
299	W	88.3	Confident	84.1	Confident	29 Å²	29	82.4 Å²	82.4	11%	0.11	39%	0.386	C	S	.	.	H	α-helix	trans	-63.7	-40.1	175.6	-179.3	-102.5	0	0	0	113.3	P269 E295 A296 F297 R306 I309 A310 T314	P269-W299 HydrophobicContact CB-CB 3.97Å; P269-W299 HydrophobicContact CB-CG 3.82Å; E295-W299 PolarHBondContact O-N 2.99Å; A296-W299 WeakPolarHBondContact O-CB 3.3Å; A296-W299 PolarHBondContact O-N 3.46Å; F297-W299 VanDerWaalsContact C-N 3.26Å; F297-W299 PolarHBondContact O-N 3.2Å; W299-R306 HydrophobicContact CD2-CG 4.08Å; W299-R306 HydrophobicContact CE3-CB 4.37Å; W299-R306 HydrophobicContact CE3-CG 3.88Å; W299-R306 HydrophobicContact CH2-CB 3.62Å; W299-R306 HydrophobicContact CH2-CG 3.67Å; W299-R306 HydrophobicContact CZ2-CB 4.25Å; W299-R306 HydrophobicContact CZ2-CG 3.87Å; W299-R306 HydrophobicContact CZ3-CB 3.68Å; W299-R306 HydrophobicContact CZ3-CG 3.67Å; W299-I309 HydrophobicContact CE3-CD1 3.89Å; W299-I309 HydrophobicContact CE3-CG1 3.8Å; W299-I309 HydrophobicContact CZ3-CG1 4.01Å; W299-A310 HydrophobicContact CH2-CB 4.35Å; W299-A310 HydrophobicContact CZ3-CB 4.14Å; W299-T314 HydrophobicContact CD2-CG2 3.77Å; W299-T314 HydrophobicContact CE3-CG2 3.51Å; W299-T314 HydrophobicContact CG-CG2 4.39Å; W299-T314 HydrophobicContact CH2-CG2 4.13Å; W299-T314 HydrophobicContact CZ2-CG2 4.36Å; W299-T314 HydrophobicContact CZ3-CG2 3.71Å
300	H	86.8	Confident	83.9	Confident	54 Å²	54	85 Å²	85	25%	0.25	41%	0.408	C	S	.	.	H	α-helix	trans	-72.7	-38.3	176.4	-69.2	-65.5	0	0	0	112.9	P269 L271 P273 A296 F297	P269-H300 PolarHBondContact O-CE1 3.3Å; P269-H300 PolarHBondContact O-NE2 3.02Å; L271-H300 PolarHBondContact O-CE1 3.46Å; L271-H300 VanDerWaalsContact O-CE1 3.25Å; L271-H300 PolarHBondContact O-NE2 3.37Å; L271-H300 VanDerWaalsContact O-NE2 3.13Å; P273-H300 HydrophobicContact CG-CB 4.49Å; A296-H300 PolarHBondContact O-CD2 3.39Å; A296-H300 PolarHBondContact O-N 3.21Å; A296-H300 VanDerWaalsContact O-N 3.16Å; F297-H300 PolarHBondContact O-N 3.01Å
301	L	87.5	Confident	83.8	Confident	136 Å²	136	82.8 Å²	82.8	71%	0.712	40%	0.402	S	S	*	.	H	α-helix	trans	-78.1	-19.3	-176.1	-68.6	170.2	0	0	0	113.9	F297 K298 P303	F297-L301 WeakPolarHBondContact O-CB 3.34Å; F297-L301 VanDerWaalsContact O-CG 3.25Å; F297-L301 WeakPolarHBondContact O-CG 3.24Å; F297-L301 PolarHBondContact O-N 3.36Å; K298-L301 PolarHBondContact O-N 3.37Å; L301-P303 VanDerWaalsContact C-CD 3.47Å; L301-P303 WeakPolarHBondContact O-CD 3.27Å
302	M	84	Confident	83.5	Confident	71 Å²	71	85.2 Å²	85.2	35%	0.35	41%	0.413	S	S	.	.			trans	-125.3	63.3	-174.1	-57.3	-171.4	-175.5	0	0	113.5	K298 E304 R305 I309	K298-M302 HydrophobicContact CG-CE 4.42Å; K298-M302 HydrophobicContact CG-SD 4.15Å; K298-M302 WeakPolarHBondContact O-CB 3.37Å; K298-M302 PolarHBondContact O-N 3.5Å; K298-M302 VanDerWaalsContact O-N 3.14Å; M302-E304 VanDerWaalsContact C-N 3.3Å; M302-E304 PolarHBondContact O-N 3.44Å; M302-R305 HydrophobicContact CB-CB 4.26Å; M302-R305 PolarHBondContact O-N 3.18Å; M302-R305 VanDerWaalsContact O-N 3.11Å; M302-I309 HydrophobicContact CB-CD1 4.43Å
303	P	74.1	Confident	83.4	Confident	75 Å²	75	85.6 Å²	85.6	49%	0.487	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-59.7	-37.2	-177.3	23.5	-33	0	0	0	113.3	L301 R305 R306	L301-P303 VanDerWaalsContact C-CD 3.47Å; L301-P303 WeakPolarHBondContact O-CD 3.27Å; P303-R305 PolarHBondContact O-N 2.98Å; P303-R306 WeakPolarHBondContact O-CG 3.49Å; P303-R306 PolarHBondContact O-N 3.13Å
304	E	71.4	Confident	83.2	Confident	188 Å²	188	85.4 Å²	85.4	88%	0.879	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-67	-21.3	179.9	-61	-179.4	179.7	0	0	113.7	M302	M302-E304 VanDerWaalsContact C-N 3.3Å; M302-E304 PolarHBondContact O-N 3.44Å
305	R	75.4	Confident	83.1	Confident	143 Å²	143	81 Å²	81	54%	0.54	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-104.4	5	-176.3	-61.7	-176.7	179.9	-175.6	0.3	113.2	M302 P303 S307 R308 I309	M302-R305 HydrophobicContact CB-CB 4.26Å; M302-R305 PolarHBondContact O-N 3.18Å; M302-R305 VanDerWaalsContact O-N 3.11Å; P303-R305 PolarHBondContact O-N 2.98Å; R305-S307 PolarHBondContact O-N 3.43Å; R305-S307 VanDerWaalsContact O-N 3.16Å; R305-R308 WeakPolarHBondContact O-CB 3.47Å; R305-R308 PolarHBondContact O-N 3.25Å; R305-I309 PolarHBondContact O-N 3.31Å
306	R	78.9	Confident	82.9	Confident	95 Å²	95	80 Å²	80	36%	0.358	39%	0.391	S	S	.	.	H	α-helix	trans	-51.7	-39.7	-176.1	-78.1	179.8	177.5	169.7	2.9	113.4	W299 P303 R308 I309 A310	W299-R306 HydrophobicContact CD2-CG 4.08Å; W299-R306 HydrophobicContact CE3-CB 4.37Å; W299-R306 HydrophobicContact CE3-CG 3.88Å; W299-R306 HydrophobicContact CH2-CB 3.62Å; W299-R306 HydrophobicContact CH2-CG 3.67Å; W299-R306 HydrophobicContact CZ2-CB 4.25Å; W299-R306 HydrophobicContact CZ2-CG 3.87Å; W299-R306 HydrophobicContact CZ3-CB 3.68Å; W299-R306 HydrophobicContact CZ3-CG 3.67Å; P303-R306 WeakPolarHBondContact O-CG 3.49Å; P303-R306 PolarHBondContact O-N 3.13Å; R306-R308 PolarHBondContact O-N 3.41Å; R306-R308 VanDerWaalsContact O-N 3.13Å; R306-I309 PolarHBondContact O-N 3.5Å; R306-A310 WeakPolarHBondContact O-CB 3.36Å; R306-A310 PolarHBondContact O-N 3.45Å
307	S	71.4	Confident	82.8	Confident	83 Å²	83	80 Å²	80	58%	0.58	39%	0.391	S	S	*	.	H	α-helix	trans	-58.8	-25.9	176.4	56.3	0	0	0	0	114.3	R305	R305-S307 PolarHBondContact O-N 3.43Å; R305-S307 VanDerWaalsContact O-N 3.16Å
308	R	74.8	Confident	82.7	Confident	209 Å²	209	80.4 Å²	80.4	79%	0.789	39%	0.392	S	S	*	.	H	α-helix	trans	-96.1	-18.9	-179.6	-66.5	177.2	58.5	-175.4	-1.1	114.1	R305 R306	R305-R308 WeakPolarHBondContact O-CB 3.47Å; R305-R308 PolarHBondContact O-N 3.25Å; R306-R308 PolarHBondContact O-N 3.41Å; R306-R308 VanDerWaalsContact O-N 3.13Å
309	I	81.9	Confident	82.5	Confident	36 Å²	36	75.9 Å²	75.9	19%	0.185	37%	0.374	C	S	.	.	H	α-helix	trans	-114	5.2	-177.3	63.3	170.3	0	0	0	112.2	K298 W299 M302 R305 R306	K298-I309 HydrophobicContact CG-CD1 4.4Å; W299-I309 HydrophobicContact CE3-CD1 3.89Å; W299-I309 HydrophobicContact CE3-CG1 3.8Å; W299-I309 HydrophobicContact CZ3-CG1 4.01Å; M302-I309 HydrophobicContact CB-CD1 4.43Å; R305-I309 PolarHBondContact O-N 3.31Å; R306-I309 PolarHBondContact O-N 3.5Å
310	A	79.8	Confident	82.4	Confident	57 Å²	57	76 Å²	76	47%	0.471	38%	0.377	S	S	.	.			trans	-64.4	133	177.5	0	0	0	0	0	110.5	W299 R306 T314	W299-A310 HydrophobicContact CH2-CB 4.35Å; W299-A310 HydrophobicContact CZ3-CB 4.14Å; R306-A310 WeakPolarHBondContact O-CB 3.36Å; R306-A310 PolarHBondContact O-N 3.45Å; A310-T314 WeakPolarHBondContact CA-OG1 3.37Å
311	T	85	Confident	82.4	Confident	57 Å²	57	74.3 Å²	74.3	35%	0.35	37%	0.371	S	S	.	.			trans	-128.5	170.6	173.6	64.8	0	0	0	0	108.8	E295 R313 T314	E295-T311 PolarHBondContact OE1-OG1 3.45Å; T311-R313 PolarHBondContact O-N 3.26Å; T311-R313 PolarHBondContact OG1-N 3.24Å; T311-T314 PolarHBondContact N-OG1 3.28Å; T311-T314 PolarHBondContact O-N 3.41Å; T311-T314 PolarHBondContact O-OG1 3.25Å
312	E	83.7	Confident	82.4	Confident	172 Å²	172	68 Å²	68	80%	0.804	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-56.7	-22.3	172.6	-64.3	-177.5	169	0	0	112.7	T314 T315	E312-T314 VanDerWaalsContact C-N 3.3Å; E312-T314 PolarHBondContact O-N 3.43Å; E312-T315 PolarHBondContact O-OG1 3.33Å
313	R	87.7	Confident	82.7	Confident	33 Å²	33	68.8 Å²	68.8	13%	0.125	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-82.1	-9.2	177.5	-48.5	-165.5	-51.9	133.9	-3.1	113.5	A264 R267 E295 T311	A264-R313 WeakPolarHBondContact O-CD 3.45Å; R267-R313 WeakPolarHBondContact CB-O 3.43Å; E295-R313 IonicContact OE1-CZ 3.54Å; E295-R313 IonicContact OE1-NE 3.98Å; E295-R313 IonicContact OE1-NH2 3.67Å; E295-R313 IonicContact OE2-CZ 3.31Å; E295-R313 IonicContact OE2-NE 2.72Å; E295-R313 IonicContact OE2-NH2 2.67Å; E295-R313 PolarHBondContact OE2-NH2 3.13Å; T311-R313 PolarHBondContact O-N 3.26Å; T311-R313 PolarHBondContact OG1-N 3.24Å
314	T	86.4	Confident	83.6	Confident	9 Å²	9	65.2 Å²	65.2	6%	0.055	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-98.8	-5	177.7	65.1	0	0	0	0	112.7	P269 W299 A310 T311 E312	P269-T314 HydrophobicContact CB-CG2 3.95Å; P269-T314 HydrophobicContact CG-CG2 3.98Å; W299-T314 HydrophobicContact CD2-CG2 3.77Å; W299-T314 HydrophobicContact CE3-CG2 3.51Å; W299-T314 HydrophobicContact CG-CG2 4.39Å; W299-T314 HydrophobicContact CH2-CG2 4.13Å; W299-T314 HydrophobicContact CZ2-CG2 4.36Å; W299-T314 HydrophobicContact CZ3-CG2 3.71Å; A310-T314 WeakPolarHBondContact CA-OG1 3.37Å; T311-T314 PolarHBondContact N-OG1 3.28Å; T311-T314 PolarHBondContact O-N 3.41Å; T311-T314 PolarHBondContact O-OG1 3.25Å; E312-T314 VanDerWaalsContact C-N 3.3Å; E312-T314 PolarHBondContact O-N 3.43Å
315	T	86	Confident	84.8	Confident	41 Å²	41	56.3 Å²	56.3	25%	0.252	27%	0.273	S	S	.	.	S	Bend	trans	-90.3	125.7	175.5	58	0	0	0	0	109.7	R267 E312	R267-T315 WeakPolarHBondContact CD-O 3.39Å; R267-T315 PolarHBondContact NH1-O 3.13Å; E312-T315 PolarHBondContact O-OG1 3.33Å
316	P	87.2	Confident	85.8	Confident	33 Å²	33	49.5 Å²	49.5	21%	0.214	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-70	149.6	179.7	-14	27	0	0	0	113.2	R267 L270 V321	R267-P316 PolarHBondContact NH1-O 3.4Å; L270-P316 HydrophobicContact CD1-CB 3.82Å; L270-P316 HydrophobicContact CD1-CG 3.96Å; L270-P316 HydrophobicContact CD2-CG 4.16Å; P316-V321 HydrophobicContact CB-CG2 3.73Å; P316-V321 HydrophobicContact CG-CG2 4.3Å
317	R	89.1	Confident	86.5	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-63.6	153.5	174.3	-67.8	-175.9	-159.6	-89.7	-3.5	110.1	L227 S229 E237 L265 R267 S319 T320 V321	L227-R317 PolarHBondContact O-NH1 2.77Å; L227-R317 PolarHBondContact O-NH2 3.38Å; L227-R317 VanDerWaalsContact O-NH2 3.13Å; S229-R317 PolarHBondContact O-NH1 3.18Å; E237-R317 WeakPolarHBondContact OE1-CD 3.47Å; E237-R317 WeakPolarHBondContact OE1-CG 3.44Å; E237-R317 IonicContact OE1-CZ 3.56Å; E237-R317 IonicContact OE1-NE 3.89Å; E237-R317 PolarHBondContact OE1-NE 3.17Å; E237-R317 IonicContact OE1-NH2 3.63Å; E237-R317 IonicContact OE2-NE 3.3Å; E237-R317 IonicContact OE2-NH2 3.74Å; L265-R317 PolarHBondContact O-NH2 3.16Å; R267-R317 VanDerWaalsContact NH1-CA 3.35Å; R317-S319 PolarHBondContact O-N 2.98Å; R317-T320 PolarHBondContact N-OG1 3.06Å; R317-T320 PolarHBondContact O-N 3.16Å; R317-T320 PolarHBondContact O-OG1 3.14Å; R317-V321 WeakPolarHBondContact O-CG2 3.34Å; R317-V321 PolarHBondContact O-N 3.23Å; R317-V321 VanDerWaalsContact O-N 3.09Å
318	K	87.7	Confident	87.6	Confident	64 Å²	64	41 Å²	41	28%	0.278	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.5	-178.3	-61.8	-176.1	-164.8	160.2	0	112.9	D230 D231 R345	D230-K318 PolarHBondContact O-N 3.29Å; D231-K318 VanDerWaalsContact OD1-CD 3.3Å; D231-K318 WeakPolarHBondContact OD1-CD 3.43Å; D231-K318 WeakPolarHBondContact OD1-CE 3.45Å; D231-K318 IonicContact OD1-NZ 3.51Å; D231-K318 PolarHBondContact OD1-NZ 3.25Å; D231-K318 IonicContact OD2-NZ 2.85Å; K318-R345 HydrophobicContact CB-CB 3.96Å; K318-R345 HydrophobicContact CB-CG 4.39Å
319	S	85.5	Confident	88.3	Confident	9 Å²	9	31.1 Å²	31.1	6%	0.063	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-28.6	175.6	72.2	0	0	0	0	113.7	L232 V234 R317 N610	L232-S319 WeakPolarHBondContact O-CB 3.43Å; L232-S319 PolarHBondContact O-OG 2.84Å; V234-S319 PolarHBondContact N-OG 2.98Å; V234-S319 WeakPolarHBondContact O-CB 3.45Å; V234-S319 PolarHBondContact O-OG 2.9Å; R317-S319 PolarHBondContact O-N 2.98Å; S319-N610 VanDerWaalsContact O-CG 3.23Å; S319-N610 PolarHBondContact O-ND2 3.35Å
320	T	85.6	Confident	88.6	Confident	30 Å²	30	33.1 Å²	33.1	18%	0.184	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-18.2	-172.2	59.2	0	0	0	0	113.8	V234 R317 G322	V234-T320 HydrophobicContact CG2-CG2 4.03Å; R317-T320 PolarHBondContact N-OG1 3.06Å; R317-T320 PolarHBondContact O-N 3.16Å; R317-T320 PolarHBondContact O-OG1 3.14Å; T320-G322 PolarHBondContact O-N 3.01Å; T320-G322 VanDerWaalsContact O-N 3.17Å
321	V	86.8	Confident	88.8	Confident	19 Å²	19	31.8 Å²	31.8	12%	0.115	16%	0.16	C	C	.	.	S	Bend	trans	-53.9	-35.5	177.7	171.7	0	0	0	0	112.7	P316 R317 L561	P316-V321 HydrophobicContact CB-CG2 3.73Å; P316-V321 HydrophobicContact CG-CG2 4.3Å; R317-V321 WeakPolarHBondContact O-CG2 3.34Å; R317-V321 PolarHBondContact O-N 3.23Å; R317-V321 VanDerWaalsContact O-N 3.09Å; V321-L561 HydrophobicContact CG1-CD1 3.82Å; V321-L561 HydrophobicContact CG1-CG 3.66Å
322	G	87.3	Confident	88.4	Confident	3 Å²	3	33.5 Å²	33.5	3%	0.031	18%	0.18	C	C	.	.			trans	112.1	-155.5	-173.8	0	0	0	0	0	112.9	T320 I608	T320-G322 PolarHBondContact O-N 3.01Å; T320-G322 VanDerWaalsContact O-N 3.17Å; G322-I608 CarbonylContact C-O 3.58Å; G322-I608 VanDerWaalsContact CA-O 3.3Å; G322-I608 WeakPolarHBondContact CA-O 3.23Å
323	R	90.6	Very high	88	Confident	89 Å²	89	33.1 Å²	33.1	34%	0.336	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.9	-176.4	-62.1	172.4	-177.5	-97.6	-2.1	110.2	A607 I608	R323-A607 WeakPolarHBondContact O-CA 3.24Å; R323-I608 HydrophobicContact CB-CD1 4.24Å; R323-I608 HydrophobicContact CB-CG1 3.9Å; R323-I608 PolarHBondContact N-O 2.68Å; R323-I608 WeakPolarHBondContact O-CG1 3.49Å; R323-I608 PolarHBondContact O-N 2.98Å
324	L	94.4	Very high	87.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137	168.9	-156.7	65	0	0	0	108.9	S341 Y342 W349 A559 L561 I566 V568 V605 A607	L324-S341 CarbonylContact O-C 3.56Å; L324-S341 VanDerWaalsContact O-CA 3.27Å; L324-S341 WeakPolarHBondContact O-CA 3.37Å; L324-Y342 HydrophobicContact CB-CD1 4.4Å; L324-Y342 PolarHBondContact N-O 2.94Å; L324-Y342 PolarHBondContact O-N 3.41Å; L324-W349 HydrophobicContact CB-CH2 4.47Å; L324-W349 HydrophobicContact CD2-CH2 4.03Å; L324-W349 HydrophobicContact CD2-CZ2 4.32Å; L324-W349 HydrophobicContact CG-CH2 4.43Å; L324-A559 HydrophobicContact CD1-CB 3.94Å; L324-L561 HydrophobicContact CB-CD2 4.2Å; L324-L561 HydrophobicContact CD1-CB 4.44Å; L324-I566 HydrophobicContact CD2-CB 4.07Å; L324-I566 HydrophobicContact CD2-CD1 4.2Å; L324-I566 HydrophobicContact CD2-CG2 3.69Å; L324-V568 HydrophobicContact CD2-CG2 3.71Å; L324-V605 HydrophobicContact CD1-CG1 3.59Å; L324-V605 HydrophobicContact CD2-CG1 3.71Å; L324-V605 HydrophobicContact CG-CG1 3.57Å; L324-A607 HydrophobicContact CD1-CB 4.3Å
325	L	95.4	Very high	86.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.8	170.9	-58.7	-177.8	0	0	0	109.5	V327 I339 E340 W352 L371 V605 V606 I608	L325-V327 HydrophobicContact CB-CG2 4.11Å; L325-I339 HydrophobicContact CB-CG2 4.2Å; L325-I339 HydrophobicContact CD2-CG2 4.45Å; L325-E340 CarbonylContact C-O 3.58Å; L325-E340 WeakPolarHBondContact CA-O 3.45Å; L325-W352 HydrophobicContact CD1-CE3 4.04Å; L325-W352 HydrophobicContact CD1-CH2 3.78Å; L325-W352 HydrophobicContact CD1-CZ2 4.47Å; L325-W352 HydrophobicContact CD1-CZ3 3.54Å; L325-W352 HydrophobicContact CD2-CD2 3.92Å; L325-W352 HydrophobicContact CD2-CE3 3.84Å; L325-W352 HydrophobicContact CD2-CG 4.38Å; L325-W352 HydrophobicContact CD2-CZ3 4.19Å; L325-L371 HydrophobicContact CD1-CD2 4.25Å; L325-V605 VanDerWaalsContact O-CA 3.29Å; L325-V605 WeakPolarHBondContact O-CA 3.38Å; L325-V606 HydrophobicContact CB-CG2 3.93Å; L325-V606 HydrophobicContact CD1-CG2 4.36Å; L325-V606 PolarHBondContact N-O 3Å; L325-V606 PolarHBondContact O-N 2.55Å; L325-I608 HydrophobicContact CD1-CD1 4.04Å; L325-I608 HydrophobicContact CD1-CG1 4.36Å; L325-I608 HydrophobicContact CD1-CG2 3.85Å; L325-I608 HydrophobicContact CD2-CD1 4.13Å; L325-I608 HydrophobicContact CG-CD1 4.11Å; L325-I608 HydrophobicContact CG-CG1 4.19Å; L325-I608 HydrophobicContact CG-CG2 4.34Å
326	A	96	Very high	86.7	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	107.6	166.6	0	0	0	0	0	108.5	I339 E340 W349 V568 M596	A326-I339 WeakPolarHBondContact O-CA 3.47Å; A326-E340 PolarHBondContact N-O 2.88Å; A326-E340 PolarHBondContact O-N 2.84Å; A326-W349 HydrophobicContact CB-CH2 3.88Å; A326-W349 HydrophobicContact CB-CZ3 3.59Å; A326-V568 HydrophobicContact CB-CG1 4.31Å; A326-M596 HydrophobicContact CB-SD 3.94Å
327	V	95.4	Very high	86.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117	-170.4	-172.1	0	0	0	0	109.9	L325 I339 M355 F362 L371 L373 C604 V606	L325-V327 HydrophobicContact CB-CG2 4.11Å; V327-I339 HydrophobicContact CG1-CD1 3.95Å; V327-I339 HydrophobicContact CG1-CG1 3.98Å; V327-I339 HydrophobicContact CG2-CG2 3.91Å; V327-M355 HydrophobicContact CG1-SD 4.04Å; V327-F362 HydrophobicContact CB-CZ 4.48Å; V327-F362 HydrophobicContact CG1-CE2 3.99Å; V327-F362 HydrophobicContact CG1-CZ 3.92Å; V327-F362 WeakPolarHBondContact O-CZ 3.5Å; V327-L371 HydrophobicContact CG2-CD2 3.96Å; V327-L373 HydrophobicContact CG1-CD1 4.42Å; V327-L373 HydrophobicContact CG1-CD2 3.95Å; V327-C604 HydrophobicContact CB-CB 4.38Å; V327-C604 PolarHBondContact N-O 2.85Å; V327-C604 PolarHBondContact O-N 2.9Å; V327-V606 HydrophobicContact CG2-CG2 4.41Å
328	G	92.8	Very high	87	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.			trans	62.6	-139.1	172.9	0	0	0	0	0	113.9	A336 S338 R600	G328-A336 VanDerWaalsContact CA-O 3.31Å; G328-A336 WeakPolarHBondContact CA-O 3.3Å; G328-S338 PolarHBondContact N-O 2.81Å; G328-R600 WeakPolarHBondContact O-CD 3.44Å; G328-R600 PolarHBondContact O-NH1 3.37Å
329	G	90.4	Very high	87.4	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.01	20%	0.196	C	C	.	.			trans	95.9	177.9	-175.4	0	0	0	0	0	113.3	A336 A601	G329-A336 PolarHBondContact O-N 3.01Å; G329-A601 CarbonylContact C-O 3.54Å; G329-A601 WeakPolarHBondContact CA-O 3.44Å
330	M	88.7	Confident	87.8	Confident	78 Å²	78	36.3 Å²	36.3	38%	0.384	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-91.6	118.7	176.9	-171.1	175.8	-68.5	0	0	109.9	L360 R600 A601	M330-L360 HydrophobicContact CB-CD2 4.38Å; M330-L360 HydrophobicContact CE-CD1 4.2Å; M330-R600 WeakPolarHBondContact O-CA 3.16Å; M330-A601 HydrophobicContact CB-CB 4.48Å; M330-A601 PolarHBondContact N-O 2.81Å; M330-A601 PolarHBondContact O-N 2.73Å
331	D	84.1	Confident	88.2	Confident	29 Å²	29	34.9 Å²	34.9	16%	0.155	19%	0.185	C	C	.	.			trans	-104.8	-172.4	172.2	64.8	-4.4	0	0	0	110.7	H333 K334 G335 A336	D331-H333 PolarHBondContact O-N 2.83Å; D331-H333 VanDerWaalsContact O-N 3.15Å; D331-H333 VanDerWaalsContact OD1-C 3.25Å; D331-H333 WeakPolarHBondContact OD1-CA 3.47Å; D331-H333 PolarHBondContact OD1-N 3.26Å; D331-K334 PolarHBondContact O-N 3.07Å; D331-K334 PolarHBondContact OD1-N 3.49Å; D331-G335 PolarHBondContact OD1-N 3.09Å; D331-A336 HydrophobicContact CB-CB 4.18Å
332	A	76	Confident	88.6	Confident	94 Å²	94	34.4 Å²	34.4	78%	0.777	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.6	175.3	0	0	0	0	0	113.2	K334	A332-K334 VanDerWaalsContact C-N 3.29Å
333	H	75.3	Confident	88.7	Confident	163 Å²	163	35.1 Å²	35.1	76%	0.755	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	14.3	177	-57.2	-61.7	0	0	0	113.1	D331 G335	D331-H333 PolarHBondContact O-N 2.83Å; D331-H333 VanDerWaalsContact O-N 3.15Å; D331-H333 VanDerWaalsContact OD1-C 3.25Å; D331-H333 WeakPolarHBondContact OD1-CA 3.47Å; D331-H333 PolarHBondContact OD1-N 3.26Å; H333-G335 VanDerWaalsContact C-N 3.27Å; H333-G335 PolarHBondContact O-N 2.88Å
334	K	70.6	Confident	88.6	Confident	149 Å²	149	31.4 Å²	31.4	65%	0.648	17%	0.173	S	C	*	.	S	Bend	trans	63.9	22.5	176.1	-55.5	-179.3	178.9	178.1	0	114	D331 A332 R358	D331-K334 PolarHBondContact O-N 3.07Å; D331-K334 PolarHBondContact OD1-N 3.49Å; A332-K334 VanDerWaalsContact C-N 3.29Å; K334-R358 PolarHBondContact O-NE 3.29Å; K334-R358 PolarHBondContact O-NH2 2.78Å
335	G	78.6	Confident	88.2	Confident	13 Å²	13	33.7 Å²	33.7	13%	0.134	18%	0.181	C	C	.	.			trans	162	101.3	167.6	0	0	0	0	0	114.1	D331 H333	D331-G335 PolarHBondContact OD1-N 3.09Å; H333-G335 VanDerWaalsContact C-N 3.27Å; H333-G335 PolarHBondContact O-N 2.88Å
336	A	83.4	Confident	87.9	Confident	3 Å²	3	38.3 Å²	38.3	3%	0.025	21%	0.205	C	C	.	.			trans	-75	133.1	178.3	0	0	0	0	0	110.9	G328 G329 D331 R600	G328-A336 VanDerWaalsContact CA-O 3.31Å; G328-A336 WeakPolarHBondContact CA-O 3.3Å; G329-A336 PolarHBondContact O-N 3.01Å; D331-A336 HydrophobicContact CB-CB 4.18Å; A336-R600 VanDerWaalsContact CB-NH1 3.35Å
337	I	91	Very high	87.6	Confident	68 Å²	68	41.6 Å²	41.6	35%	0.349	22%	0.223	S	C	.	.			trans	-97.3	-8.6	165.7	58	167.5	0	0	0	112.1	H354 M355 G357 R358	I337-H354 CarbonylContact O-C 3.46Å; I337-H354 WeakPolarHBondContact O-CA 2.97Å; I337-M355 HydrophobicContact CB-CB 4.3Å; I337-M355 PolarHBondContact O-N 3.04Å; I337-G357 WeakPolarHBondContact CG2-O 3.34Å; I337-R358 HydrophobicContact CG2-CB 4.31Å
338	S	92.2	Very high	87.5	Confident	21 Å²	21	47.4 Å²	47.4	15%	0.147	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	147.1	-178.8	48.5	0	0	0	0	111.1	G328 R600	G328-S338 PolarHBondContact N-O 2.81Å; S338-R600 PolarHBondContact O-NH1 2.88Å; S338-R600 PolarHBondContact O-NH2 2.82Å; S338-R600 PolarHBondContact OG-NH2 2.77Å
339	I	94.6	Very high	87.6	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.6	171.9	-51.7	179.5	0	0	0	106.6	L325 A326 V327 W352 K353 M355 L371 W396	L325-I339 HydrophobicContact CB-CG2 4.2Å; L325-I339 HydrophobicContact CD2-CG2 4.45Å; A326-I339 WeakPolarHBondContact O-CA 3.47Å; V327-I339 HydrophobicContact CG1-CD1 3.95Å; V327-I339 HydrophobicContact CG1-CG1 3.98Å; V327-I339 HydrophobicContact CG2-CG2 3.91Å; I339-W352 HydrophobicContact CB-CE3 4.08Å; I339-W352 HydrophobicContact CD1-CE3 4.47Å; I339-W352 HydrophobicContact CD1-CZ3 4.38Å; I339-W352 HydrophobicContact CG2-CE3 3.59Å; I339-W352 HydrophobicContact CG2-CZ3 4.14Å; I339-W352 WeakPolarHBondContact O-CB 3.44Å; I339-W352 PolarHBondContact O-N 2.82Å; I339-K353 WeakPolarHBondContact CA-O 3.49Å; I339-K353 WeakPolarHBondContact CB-O 3.2Å; I339-K353 HydrophobicContact CD1-CB 4.45Å; I339-K353 PolarHBondContact N-O 2.57Å; I339-K353 PolarHBondContact O-N 2.95Å; I339-M355 HydrophobicContact CD1-CG 4.18Å; I339-M355 HydrophobicContact CG1-CG 4.25Å; I339-L371 HydrophobicContact CD1-CD2 4.29Å; I339-W396 HydrophobicContact CD1-CH2 4.47Å; I339-W396 HydrophobicContact CD1-CZ2 4.04Å
340	E	94.8	Very high	87.7	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.1	175.2	-68.2	174.6	-107.7	0	0	110	L325 A326 W349 T350 A597 F598 R600	L325-E340 CarbonylContact C-O 3.58Å; L325-E340 WeakPolarHBondContact CA-O 3.45Å; A326-E340 PolarHBondContact N-O 2.88Å; A326-E340 PolarHBondContact O-N 2.84Å; E340-W349 HydrophobicContact CB-CE3 3.71Å; E340-W349 HydrophobicContact CB-CZ3 4.19Å; E340-T350 WeakPolarHBondContact CA-O 3.41Å; E340-A597 VanDerWaalsContact OE2-CB 3.25Å; E340-A597 WeakPolarHBondContact OE2-CB 3.38Å; E340-A597 PolarHBondContact OE2-N 3.21Å; E340-F598 WeakPolarHBondContact OE1-CD2 3.42Å; E340-F598 PolarHBondContact OE1-N 2.95Å; E340-R600 IonicContact OE1-CZ 3.77Å; E340-R600 VanDerWaalsContact OE1-CZ 3.24Å; E340-R600 IonicContact OE1-NE 3.85Å; E340-R600 PolarHBondContact OE1-NE 3.35Å; E340-R600 IonicContact OE1-NH2 2.72Å; E340-R600 PolarHBondContact OE1-NH2 2.87Å
341	S	94.6	Very high	87.9	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.7	175.7	179.8	0	0	0	0	110.4	L324 W349 T350	L324-S341 CarbonylContact O-C 3.56Å; L324-S341 VanDerWaalsContact O-CA 3.27Å; L324-S341 WeakPolarHBondContact O-CA 3.37Å; S341-W349 CarbonylContact O-C 3.57Å; S341-W349 WeakPolarHBondContact O-CA 3.14Å; S341-T350 PolarHBondContact N-O 2.77Å; S341-T350 PolarHBondContact O-N 2.81Å; S341-T350 PolarHBondContact O-OG1 2.82Å
342	Y	94.6	Very high	88.3	Confident	8 Å²	8	53.2 Å²	53.2	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.6	171.9	-177.9	-117.1	0	0	0	110.7	L324 P344 D347 W349 L561 I566 L593	L324-Y342 HydrophobicContact CB-CD1 4.4Å; L324-Y342 PolarHBondContact N-O 2.94Å; L324-Y342 PolarHBondContact O-N 3.41Å; Y342-P344 HydrophobicContact CD1-CG 4.21Å; Y342-P344 HydrophobicContact CE1-CB 4.31Å; Y342-P344 HydrophobicContact CE1-CG 4.11Å; Y342-D347 VanDerWaalsContact CE2-OD1 3.26Å; Y342-D347 WeakPolarHBondContact CE2-OD1 3.4Å; Y342-D347 PolarHBondContact OH-OD1 3.01Å; Y342-W349 AromaticContact CD2-CD1 3.67Å; Y342-W349 HydrophobicContact CD2-CD2 4.06Å; Y342-W349 AromaticContact CD2-CE2 3.68Å; Y342-W349 HydrophobicContact CD2-CG 4.08Å; Y342-W349 HydrophobicContact CD2-CZ2 4.29Å; Y342-W349 AromaticContact CD2-NE1 3.38Å; Y342-W349 HydrophobicContact CG-CD2 4.33Å; Y342-W349 AromaticContact CG-CE2 3.92Å; Y342-W349 HydrophobicContact CG-CZ2 4.11Å; Y342-L561 HydrophobicContact CD1-CD2 4.13Å; Y342-L561 HydrophobicContact CE1-CD2 4.47Å; Y342-I566 HydrophobicContact CE1-CD1 4.48Å; Y342-L593 HydrophobicContact CE1-CD1 4.2Å
343	C	89.6	Confident	89	Confident	19 Å²	19	51 Å²	51	13%	0.128	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.6	171.9	-176.2	0	0	0	0	109.9	R345 L346 D347 K348	C343-R345 VanDerWaalsContact C-N 3.27Å; C343-R345 PolarHBondContact O-N 3.17Å; C343-L346 HydrophobicContact CB-CB 4.41Å; C343-L346 PolarHBondContact O-N 2.93Å; C343-D347 PolarHBondContact O-N 3.15Å; C343-K348 PolarHBondContact N-O 3.27Å; C343-K348 PolarHBondContact O-N 2.71Å
344	P	88.6	Confident	89.9	Confident	10 Å²	10	48.5 Å²	48.5	7%	0.065	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.6	-178.5	-27.6	37.1	0	0	0	114.2	Y342 L561	Y342-P344 HydrophobicContact CD1-CG 4.21Å; Y342-P344 HydrophobicContact CE1-CB 4.31Å; Y342-P344 HydrophobicContact CE1-CG 4.11Å; P344-L561 HydrophobicContact CG-CD2 3.5Å; P344-L561 VanDerWaalsContact CG-CD2 3.5Å; P344-L561 HydrophobicContact CG-CG 4.43Å
345	R	86.3	Confident	90.9	Very high	49 Å²	49	41.9 Å²	41.9	19%	0.185	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-39	-179.4	-171.2	-175.6	64.4	74.7	0.3	112.7	K318 C343	K318-R345 HydrophobicContact CB-CB 3.96Å; K318-R345 HydrophobicContact CB-CG 4.39Å; C343-R345 VanDerWaalsContact C-N 3.27Å; C343-R345 PolarHBondContact O-N 3.17Å
346	L	87.4	Confident	91.4	Very high	96 Å²	96	45 Å²	45	50%	0.503	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-4.7	-178	-67	178.7	0	0	0	112.8	C343 K348	C343-L346 HydrophobicContact CB-CB 4.41Å; C343-L346 PolarHBondContact O-N 2.93Å; L346-K348 VanDerWaalsContact C-N 3.29Å; L346-K348 HydrophobicContact CB-CB 4.11Å; L346-K348 PolarHBondContact O-N 2.9Å
347	D	91.6	Very high	91.6	Very high	69 Å²	69	46.3 Å²	46.3	37%	0.369	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.9	59.9	-166.9	-172.3	30.6	0	0	0	111	Y342 C343 A594	Y342-D347 VanDerWaalsContact CE2-OD1 3.26Å; Y342-D347 WeakPolarHBondContact CE2-OD1 3.4Å; Y342-D347 PolarHBondContact OH-OD1 3.01Å; C343-D347 PolarHBondContact O-N 3.15Å; D347-A594 WeakPolarHBondContact O-CB 3.4Å; D347-A594 WeakPolarHBondContact OD1-CB 3.39Å; D347-A594 PolarHBondContact OD1-N 3.38Å; D347-A594 PolarHBondContact OD2-N 2.72Å
348	K	93	Very high	91.6	Very high	123 Å²	123	47.3 Å²	47.3	54%	0.535	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	135.2	-172.4	-173.2	173.1	180	178	0	112.3	C343 L346 T350	C343-K348 PolarHBondContact N-O 3.27Å; C343-K348 PolarHBondContact O-N 2.71Å; L346-K348 VanDerWaalsContact C-N 3.29Å; L346-K348 HydrophobicContact CB-CB 4.11Å; L346-K348 PolarHBondContact O-N 2.9Å; K348-T350 HydrophobicContact CG-CG2 4.44Å
349	W	94.7	Very high	91.6	Very high	14 Å²	14	46.6 Å²	46.6	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	138	167.2	-68.9	87.6	0	0	0	111.1	L324 A326 E340 S341 Y342 V568 V580 A594 P595 M596	L324-W349 HydrophobicContact CB-CH2 4.47Å; L324-W349 HydrophobicContact CD2-CH2 4.03Å; L324-W349 HydrophobicContact CD2-CZ2 4.32Å; L324-W349 HydrophobicContact CG-CH2 4.43Å; A326-W349 HydrophobicContact CB-CH2 3.88Å; A326-W349 HydrophobicContact CB-CZ3 3.59Å; E340-W349 HydrophobicContact CB-CE3 3.71Å; E340-W349 HydrophobicContact CB-CZ3 4.19Å; S341-W349 CarbonylContact O-C 3.57Å; S341-W349 WeakPolarHBondContact O-CA 3.14Å; Y342-W349 AromaticContact CD2-CD1 3.67Å; Y342-W349 HydrophobicContact CD2-CD2 4.06Å; Y342-W349 AromaticContact CD2-CE2 3.68Å; Y342-W349 HydrophobicContact CD2-CG 4.08Å; Y342-W349 HydrophobicContact CD2-CZ2 4.29Å; Y342-W349 AromaticContact CD2-NE1 3.38Å; Y342-W349 HydrophobicContact CG-CD2 4.33Å; Y342-W349 AromaticContact CG-CE2 3.92Å; Y342-W349 HydrophobicContact CG-CZ2 4.11Å; W349-V568 HydrophobicContact CH2-CG1 3.98Å; W349-V568 HydrophobicContact CH2-CG2 4.17Å; W349-V568 HydrophobicContact CZ2-CG1 4.02Å; W349-V568 HydrophobicContact CZ2-CG2 4.11Å; W349-V580 HydrophobicContact CZ2-CG1 4.36Å; W349-V580 HydrophobicContact CZ2-CG2 3.9Å; W349-A594 PolarHBondContact NE1-O 2.86Å; W349-P595 VanDerWaalsContact CD1-O 3.29Å; W349-M596 HydrophobicContact CD2-CG 3.87Å; W349-M596 HydrophobicContact CE3-CG 4.22Å; W349-M596 HydrophobicContact CG-CG 4.28Å; W349-M596 HydrophobicContact CH2-CG 4.37Å; W349-M596 HydrophobicContact CZ2-CG 4.05Å; W349-M596 HydrophobicContact CZ3-CG 4.46Å
350	T	93	Very high	91.5	Very high	52 Å²	52	47 Å²	47	32%	0.319	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140	175.9	53.8	0	0	0	0	110.2	E340 S341 K348 W352	E340-T350 WeakPolarHBondContact CA-O 3.41Å; S341-T350 PolarHBondContact N-O 2.77Å; S341-T350 PolarHBondContact O-N 2.81Å; S341-T350 PolarHBondContact O-OG1 2.82Å; K348-T350 HydrophobicContact CG-CG2 4.44Å; T350-W352 PolarHBondContact O-N 2.95Å
351	P	91.9	Very high	91.5	Very high	93 Å²	93	50 Å²	50	60%	0.604	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	131.7	168.5	-22.4	33.3	0	0	0	110.1
352	W	91.9	Very high	91.5	Very high	70 Å²	70	50.3 Å²	50.3	27%	0.265	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-56.9	-172.2	-177.6	65.1	0	0	0	113	L325 I339 T350 L389 L391 M394	L325-W352 HydrophobicContact CD1-CE3 4.04Å; L325-W352 HydrophobicContact CD1-CH2 3.78Å; L325-W352 HydrophobicContact CD1-CZ2 4.47Å; L325-W352 HydrophobicContact CD1-CZ3 3.54Å; L325-W352 HydrophobicContact CD2-CD2 3.92Å; L325-W352 HydrophobicContact CD2-CE3 3.84Å; L325-W352 HydrophobicContact CD2-CG 4.38Å; L325-W352 HydrophobicContact CD2-CZ3 4.19Å; I339-W352 HydrophobicContact CB-CE3 4.08Å; I339-W352 HydrophobicContact CD1-CE3 4.47Å; I339-W352 HydrophobicContact CD1-CZ3 4.38Å; I339-W352 HydrophobicContact CG2-CE3 3.59Å; I339-W352 HydrophobicContact CG2-CZ3 4.14Å; I339-W352 WeakPolarHBondContact O-CB 3.44Å; I339-W352 PolarHBondContact O-N 2.82Å; T350-W352 PolarHBondContact O-N 2.95Å; W352-L389 HydrophobicContact CH2-CD2 3.58Å; W352-L389 HydrophobicContact CZ3-CD2 3.59Å; W352-L391 HydrophobicContact CH2-CD2 3.67Å; W352-L391 HydrophobicContact CZ2-CD2 4.23Å; W352-M394 HydrophobicContact CD2-CE 4.22Å; W352-M394 VanDerWaalsContact CE2-CE 3.44Å; W352-M394 HydrophobicContact CH2-CE 3.92Å; W352-M394 HydrophobicContact CH2-SD 4.03Å; W352-M394 HydrophobicContact CZ2-CE 3.29Å; W352-M394 HydrophobicContact CZ2-SD 3.57Å; W352-M394 VanDerWaalsContact CZ2-SD 3.57Å
353	K	92.3	Very high	91.6	Very high	48 Å²	48	50.1 Å²	50.1	21%	0.209	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	171.8	179.6	-155.7	-179.4	-177	79.8	0	110.6	I339 L389 M394	I339-K353 WeakPolarHBondContact CA-O 3.49Å; I339-K353 WeakPolarHBondContact CB-O 3.2Å; I339-K353 HydrophobicContact CD1-CB 4.45Å; I339-K353 PolarHBondContact N-O 2.57Å; I339-K353 PolarHBondContact O-N 2.95Å; K353-L389 HydrophobicContact CD-CD1 3.68Å; K353-L389 HydrophobicContact CD-CD2 3.61Å; K353-L389 HydrophobicContact CD-CG 4.31Å; K353-L389 VanDerWaalsContact CE-CD1 3.42Å; K353-M394 HydrophobicContact CD-CE 4.05Å; K353-M394 VanDerWaalsContact CE-O 3.25Å; K353-M394 WeakPolarHBondContact CE-O 3.44Å; K353-M394 PolarHBondContact NZ-O 2.97Å
354	H	92.5	Very high	91.9	Very high	111 Å²	111	49.9 Å²	49.9	51%	0.514	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.1	170.2	-59.6	89.6	0	0	0	110.7	I337 W396	I337-H354 CarbonylContact O-C 3.46Å; I337-H354 WeakPolarHBondContact O-CA 2.97Å; H354-W396 PolarHBondContact O-NE1 2.75Å
355	M	92.4	Very high	92.3	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.044	26%	0.256	C	S	.	.			trans	-69.3	157.2	166.8	-61.9	172.7	56.4	0	0	110	V327 I337 I339 G357 R359 F362 L373 W396	V327-M355 HydrophobicContact CG1-SD 4.04Å; I337-M355 HydrophobicContact CB-CB 4.3Å; I337-M355 PolarHBondContact O-N 3.04Å; I339-M355 HydrophobicContact CD1-CG 4.18Å; I339-M355 HydrophobicContact CG1-CG 4.25Å; M355-G357 PolarHBondContact O-N 3.34Å; M355-R359 HydrophobicContact CE-CB 3.54Å; M355-R359 HydrophobicContact CE-CG 4.41Å; M355-F362 HydrophobicContact CE-CE1 3.96Å; M355-F362 HydrophobicContact CE-CZ 3.99Å; M355-F362 HydrophobicContact SD-CE1 4.28Å; M355-F362 HydrophobicContact SD-CZ 3.99Å; M355-L373 HydrophobicContact CE-CD1 3.47Å; M355-L373 VanDerWaalsContact CE-CD1 3.47Å; M355-L373 HydrophobicContact CG-CD1 4.13Å; M355-L373 HydrophobicContact SD-CD1 4.13Å; M355-W396 HydrophobicContact CG-CZ2 4.34Å
356	T	90	Very high	92.6	Very high	79 Å²	79	49.4 Å²	49.4	49%	0.485	26%	0.259	S	S	.	.	S	Bend	trans	-65.5	-26.4	177.6	49.7	0	0	0	0	113.1	E387 W396	T356-E387 WeakPolarHBondContact CB-OE1 3.24Å; T356-E387 VanDerWaalsContact OG1-CD 3.27Å; T356-E387 PolarHBondContact OG1-OE1 3.15Å; T356-E387 PolarHBondContact OG1-OE2 3.01Å; T356-W396 HydrophobicContact CG2-CB 3.79Å; T356-W396 HydrophobicContact CG2-CD2 4.11Å; T356-W396 HydrophobicContact CG2-CG 3.67Å
357	G	87.5	Confident	92.8	Very high	31 Å²	31	45.5 Å²	45.5	32%	0.32	24%	0.238	S	C	.	.	S	Bend	trans	-164	172.9	-179.8	0	0	0	0	0	112.6	I337 M355 R359	I337-G357 WeakPolarHBondContact CG2-O 3.34Å; M355-G357 PolarHBondContact O-N 3.34Å; G357-R359 PolarHBondContact O-N 2.79Å
358	R	89.4	Confident	92.6	Very high	89 Å²	89	48.3 Å²	48.3	34%	0.336	25%	0.249	S	C	.	.			trans	-69.2	127.7	178.4	-177.1	168.6	172	-109.4	9.1	110	K334 I337 D378	K334-R358 PolarHBondContact O-NE 3.29Å; K334-R358 PolarHBondContact O-NH2 2.78Å; I337-R358 HydrophobicContact CG2-CB 4.31Å; R358-D378 IonicContact NH1-OD1 3.61Å
359	R	93.1	Very high	92.3	Very high	6 Å²	6	45.9 Å²	45.9	2%	0.023	24%	0.242	C	C	.	.			trans	-146.1	127.3	179.1	-165.6	-174.1	-82.1	-114.3	0.9	108.3	M355 G357 F362 G375 L383 T385 E387	M355-R359 HydrophobicContact CE-CB 3.54Å; M355-R359 HydrophobicContact CE-CG 4.41Å; G357-R359 PolarHBondContact O-N 2.79Å; R359-F362 HydrophobicContact CB-CD1 3.84Å; R359-F362 HydrophobicContact CB-CE1 4.21Å; R359-F362 HydrophobicContact CG-CB 3.82Å; R359-F362 HydrophobicContact CG-CD1 3.54Å; R359-F362 HydrophobicContact CG-CE1 4.37Å; R359-F362 HydrophobicContact CG-CG 3.87Å; R359-F362 WeakPolarHBondContact O-CD1 3.02Å; R359-F362 WeakPolarHBondContact O-CE1 3.45Å; R359-G375 VanDerWaalsContact CD-O 3.24Å; R359-G375 WeakPolarHBondContact CD-O 3.48Å; R359-G375 WeakPolarHBondContact CG-O 3.46Å; R359-G375 PolarHBondContact NH1-O 3.17Å; R359-L383 HydrophobicContact CG-CD1 4.16Å; R359-T385 PolarHBondContact NH1-O 2.81Å; R359-T385 PolarHBondContact NH2-OG1 2.84Å; R359-E387 IonicContact CZ-OE2 3.36Å; R359-E387 IonicContact NE-OE2 3.87Å; R359-E387 PolarHBondContact NE-OE2 2.98Å; R359-E387 IonicContact NH2-OE2 2.72Å; R359-E387 PolarHBondContact NH2-OE2 3.04Å
360	L	92.8	Very high	92.2	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.042	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-119.3	151.2	178.3	-67.2	176.3	0	0	0	110.5	M330 F362 G376 R377	M330-L360 HydrophobicContact CB-CD2 4.38Å; M330-L360 HydrophobicContact CE-CD1 4.2Å; L360-F362 PolarHBondContact O-N 2.81Å; L360-G376 CarbonylContact O-C 3.57Å; L360-G376 WeakPolarHBondContact O-CA 3.35Å; L360-R377 HydrophobicContact CB-CG 3.99Å; L360-R377 PolarHBondContact N-O 2.85Å; L360-R377 PolarHBondContact O-N 2.87Å
361	Q	93.4	Very high	92.4	Very high	64 Å²	64	46 Å²	46	30%	0.299	24%	0.238	S	C	.	.	S	Bend	trans	51.2	33.5	175.3	-57.7	178.3	-49.4	0	0	113	G376 H407 G408	Q361-G376 WeakPolarHBondContact O-CA 3.46Å; Q361-H407 HydrophobicContact CB-CB 4.37Å; Q361-H407 PolarHBondContact OE1-CD2 2.81Å; Q361-H407 VanDerWaalsContact OE1-CD2 3.22Å; Q361-G408 PolarHBondContact O-N 3.22Å
362	F	96.1	Very high	92.6	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.035	21%	0.21	C	C	.	.			trans	-81.9	167.4	168.9	58.9	-84.9	0	0	0	109.3	V327 M355 R359 L360 A364 L373 V374 G375 C604	V327-F362 HydrophobicContact CB-CZ 4.48Å; V327-F362 HydrophobicContact CG1-CE2 3.99Å; V327-F362 HydrophobicContact CG1-CZ 3.92Å; V327-F362 WeakPolarHBondContact O-CZ 3.5Å; M355-F362 HydrophobicContact CE-CE1 3.96Å; M355-F362 HydrophobicContact CE-CZ 3.99Å; M355-F362 HydrophobicContact SD-CE1 4.28Å; M355-F362 HydrophobicContact SD-CZ 3.99Å; R359-F362 HydrophobicContact CB-CD1 3.84Å; R359-F362 HydrophobicContact CB-CE1 4.21Å; R359-F362 HydrophobicContact CG-CB 3.82Å; R359-F362 HydrophobicContact CG-CD1 3.54Å; R359-F362 HydrophobicContact CG-CE1 4.37Å; R359-F362 HydrophobicContact CG-CG 3.87Å; R359-F362 WeakPolarHBondContact O-CD1 3.02Å; R359-F362 WeakPolarHBondContact O-CE1 3.45Å; L360-F362 PolarHBondContact O-N 2.81Å; F362-A364 HydrophobicContact CD2-CB 4.49Å; F362-A364 HydrophobicContact CE2-CB 4.27Å; F362-L373 HydrophobicContact CD2-CB 4.29Å; F362-L373 HydrophobicContact CD2-CD2 4.22Å; F362-L373 HydrophobicContact CE2-CD1 4.32Å; F362-L373 HydrophobicContact CE2-CD2 3.83Å; F362-L373 HydrophobicContact CE2-CG 4.49Å; F362-V374 WeakPolarHBondContact CB-O 3.36Å; F362-G375 WeakPolarHBondContact CB-O 3.46Å; F362-C604 HydrophobicContact CE2-CB 4.04Å; F362-C604 PolarHBondContact O-SG 3.12Å
363	G	96.1	Very high	92.8	Very high	5 Å²	5	38.3 Å²	38.3	5%	0.052	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	151.1	165.6	0	0	0	0	0	110.5	V374	G363-V374 PolarHBondContact N-O 2.93Å; G363-V374 PolarHBondContact O-N 2.84Å
364	A	96.3	Very high	93.1	Very high	13 Å²	13	36 Å²	36	11%	0.107	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.7	174.2	0	0	0	0	0	111.2	F362 L371 I372 L373 C604 V606	F362-A364 HydrophobicContact CD2-CB 4.49Å; F362-A364 HydrophobicContact CE2-CB 4.27Å; A364-L371 HydrophobicContact CB-CD1 4.21Å; A364-I372 WeakPolarHBondContact CA-O 3.4Å; A364-L373 HydrophobicContact CB-CD2 3.67Å; A364-C604 HydrophobicContact CB-CB 3.49Å; A364-C604 VanDerWaalsContact CB-CB 3.49Å; A364-V606 HydrophobicContact CB-CG1 4.33Å
365	A	95.6	Very high	93.3	Very high	9 Å²	9	30.8 Å²	30.8	7%	0.074	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.9	170.7	0	0	0	0	0	110.5	I372 V411 V413 L418	A365-I372 PolarHBondContact N-O 3.18Å; A365-I372 PolarHBondContact O-N 3.03Å; A365-V411 HydrophobicContact CB-CG1 4Å; A365-V413 HydrophobicContact CB-CG2 3.95Å; A365-L418 HydrophobicContact CB-CD1 3.57Å
366	V	93.9	Very high	93.4	Very high	40 Å²	40	30.3 Å²	30.3	24%	0.242	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.2	173.4	179.1	0	0	0	0	108.3	K370 L371 L391 V606 I608	V366-K370 WeakPolarHBondContact CA-O 3.4Å; V366-L371 HydrophobicContact CG2-CD1 4.39Å; V366-L391 HydrophobicContact CG1-CD1 4.23Å; V366-V606 HydrophobicContact CG2-CB 3.93Å; V366-V606 HydrophobicContact CG2-CG2 3.94Å; V366-I608 HydrophobicContact CG2-CG2 3.86Å
367	M	92	Very high	93.6	Very high	15 Å²	15	30.1 Å²	30.1	7%	0.074	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	130	-179.5	-170.3	179.9	77.6	0	0	108.7	D369 K370 I372 V413 L418 P438	M367-D369 PolarHBondContact O-N 3.15Å; M367-K370 PolarHBondContact N-O 3.35Å; M367-K370 WeakPolarHBondContact O-CB 3.44Å; M367-K370 PolarHBondContact O-N 3.07Å; M367-I372 HydrophobicContact CB-CD1 4.02Å; M367-I372 HydrophobicContact CE-CD1 3.66Å; M367-V413 HydrophobicContact CB-CG2 4Å; M367-V413 HydrophobicContact CG-CG1 4.37Å; M367-V413 HydrophobicContact CG-CG2 4.26Å; M367-V413 HydrophobicContact SD-CG2 4.34Å; M367-L418 HydrophobicContact SD-CB 4.09Å; M367-P438 HydrophobicContact CE-CB 3.93Å
368	E	86.3	Confident	93.7	Very high	127 Å²	127	32.2 Å²	32.2	59%	0.593	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	51.3	177.3	-61.2	177.4	176.8	0	0	113.9	K370	E368-K370 PolarHBondContact O-N 2.64Å; E368-K370 VanDerWaalsContact O-N 3.11Å
369	D	88.1	Confident	93.6	Very high	73 Å²	73	29.7 Å²	29.7	39%	0.39	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	25.2	-176.6	-56.3	-38	0	0	0	114.6	M367 L391	M367-D369 PolarHBondContact O-N 3.15Å; D369-L391 WeakPolarHBondContact O-CB 3.45Å; D369-L391 WeakPolarHBondContact O-CG 3.43Å; D369-L391 PolarHBondContact O-N 2.85Å
370	K	92.3	Very high	93.2	Very high	68 Å²	68	38.1 Å²	38.1	30%	0.296	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.6	175.9	-64.2	171.3	-174.5	179.6	0	110.7	V366 M367 E368 I372 L389	V366-K370 WeakPolarHBondContact CA-O 3.4Å; M367-K370 PolarHBondContact N-O 3.35Å; M367-K370 WeakPolarHBondContact O-CB 3.44Å; M367-K370 PolarHBondContact O-N 3.07Å; E368-K370 PolarHBondContact O-N 2.64Å; E368-K370 VanDerWaalsContact O-N 3.11Å; K370-I372 HydrophobicContact CB-CG1 4.19Å; K370-L389 CarbonylContact C-O 3.53Å; K370-L389 VanDerWaalsContact CA-O 3.24Å; K370-L389 WeakPolarHBondContact CA-O 3.26Å
371	L	95.6	Very high	93.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.2	163.8	169.6	61.9	0	0	0	108.4	L325 V327 I339 A364 V366 L373 S388 L389 L391 V606	L325-L371 HydrophobicContact CD1-CD2 4.25Å; V327-L371 HydrophobicContact CG2-CD2 3.96Å; I339-L371 HydrophobicContact CD1-CD2 4.29Å; A364-L371 HydrophobicContact CB-CD1 4.21Å; V366-L371 HydrophobicContact CG2-CD1 4.39Å; L371-L373 HydrophobicContact CD1-CD2 4.13Å; L371-L373 HydrophobicContact CD2-CD2 4.46Å; L371-L373 HydrophobicContact CG-CD2 4.07Å; L371-S388 CarbonylContact O-C 3.54Å; L371-S388 WeakPolarHBondContact O-CA 3.04Å; L371-L389 HydrophobicContact CB-CB 4.19Å; L371-L389 HydrophobicContact CD2-CD2 4.26Å; L371-L389 PolarHBondContact N-O 3.29Å; L371-L389 PolarHBondContact O-N 3.49Å; L371-L391 HydrophobicContact CB-CD2 4.22Å; L371-V606 HydrophobicContact CD1-CG2 3.85Å
372	I	96.5	Very high	93.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.3	-176.9	-57	176.6	0	0	0	109.4	A364 A365 M367 K370 V374 V386 E387 L399 L418	A364-I372 WeakPolarHBondContact CA-O 3.4Å; A365-I372 PolarHBondContact N-O 3.18Å; A365-I372 PolarHBondContact O-N 3.03Å; M367-I372 HydrophobicContact CB-CD1 4.02Å; M367-I372 HydrophobicContact CE-CD1 3.66Å; K370-I372 HydrophobicContact CB-CG1 4.19Å; I372-V374 HydrophobicContact CG2-CG2 3.94Å; I372-V386 HydrophobicContact CG2-CG1 3.55Å; I372-E387 CarbonylContact C-O 3.53Å; I372-E387 WeakPolarHBondContact CA-O 3.47Å; I372-L399 HydrophobicContact CD1-CD1 4.13Å; I372-L399 HydrophobicContact CG1-CD1 4.34Å; I372-L399 HydrophobicContact CG2-CD1 4.1Å; I372-L418 HydrophobicContact CB-CD2 4.49Å; I372-L418 HydrophobicContact CD1-CD2 4.46Å; I372-L418 HydrophobicContact CG2-CD2 3.93Å
373	L	97.3	Very high	93.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.9	175.1	-49.3	-169.5	0	0	0	109.4	V327 M355 F362 A364 L371 V386 E387 W396	V327-L373 HydrophobicContact CG1-CD1 4.42Å; V327-L373 HydrophobicContact CG1-CD2 3.95Å; M355-L373 HydrophobicContact CE-CD1 3.47Å; M355-L373 VanDerWaalsContact CE-CD1 3.47Å; M355-L373 HydrophobicContact CG-CD1 4.13Å; M355-L373 HydrophobicContact SD-CD1 4.13Å; F362-L373 HydrophobicContact CD2-CB 4.29Å; F362-L373 HydrophobicContact CD2-CD2 4.22Å; F362-L373 HydrophobicContact CE2-CD1 4.32Å; F362-L373 HydrophobicContact CE2-CD2 3.83Å; F362-L373 HydrophobicContact CE2-CG 4.49Å; A364-L373 HydrophobicContact CB-CD2 3.67Å; L371-L373 HydrophobicContact CD1-CD2 4.13Å; L371-L373 HydrophobicContact CD2-CD2 4.46Å; L371-L373 HydrophobicContact CG-CD2 4.07Å; L373-V386 VanDerWaalsContact O-CA 3.3Å; L373-V386 WeakPolarHBondContact O-CA 3.33Å; L373-V386 WeakPolarHBondContact O-CG1 3.33Å; L373-E387 PolarHBondContact N-O 2.67Å; L373-E387 PolarHBondContact O-N 2.97Å; L373-W396 HydrophobicContact CD1-CH2 3.57Å; L373-W396 HydrophobicContact CD1-CZ3 3.84Å; L373-W396 HydrophobicContact CG-CH2 4Å; L373-W396 HydrophobicContact CG-CZ3 3.97Å
374	V	97.8	Very high	93.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.6	-171.8	-173	0	0	0	0	109.7	F362 G363 I372 V386 M402 L409 V411 L418 A420 W443	F362-V374 WeakPolarHBondContact CB-O 3.36Å; G363-V374 PolarHBondContact N-O 2.93Å; G363-V374 PolarHBondContact O-N 2.84Å; I372-V374 HydrophobicContact CG2-CG2 3.94Å; V374-V386 HydrophobicContact CG1-CG2 4.2Å; V374-V386 HydrophobicContact CG2-CG1 4.2Å; V374-M402 HydrophobicContact CG1-CE 3.69Å; V374-M402 HydrophobicContact CG1-CG 4.28Å; V374-M402 HydrophobicContact CG1-SD 3.38Å; V374-M402 WeakPolarHBondContact CG1-SD 3.24Å; V374-L409 HydrophobicContact CB-CD1 4.46Å; V374-L409 HydrophobicContact CG1-CD1 3.96Å; V374-V411 HydrophobicContact CB-CG2 3.96Å; V374-V411 HydrophobicContact CG1-CG2 4.37Å; V374-V411 HydrophobicContact CG2-CG1 4.15Å; V374-V411 HydrophobicContact CG2-CG2 4.25Å; V374-L418 HydrophobicContact CG2-CD2 3.75Å; V374-A420 HydrophobicContact CG1-CB 4.27Å; V374-W443 HydrophobicContact CG1-CH2 4.06Å; V374-W443 HydrophobicContact CG1-CZ2 4.27Å
375	G	96.6	Very high	93.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.			trans	61.6	-140.2	172.7	0	0	0	0	0	114.4	R359 F362 L383 T385 R406	R359-G375 VanDerWaalsContact CD-O 3.24Å; R359-G375 WeakPolarHBondContact CD-O 3.48Å; R359-G375 WeakPolarHBondContact CG-O 3.46Å; R359-G375 PolarHBondContact NH1-O 3.17Å; F362-G375 WeakPolarHBondContact CB-O 3.46Å; G375-L383 WeakPolarHBondContact CA-O 2.95Å; G375-T385 PolarHBondContact N-O 3.21Å; G375-T385 VanDerWaalsContact N-O 3.12Å; G375-R406 CarbonylContact C-O 3.58Å; G375-R406 WeakPolarHBondContact CA-O 3.38Å
376	G	95.4	Very high	93.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.			trans	90.1	-165.2	-171.2	0	0	0	0	0	112.9	L360 Q361 L383 R406	L360-G376 CarbonylContact O-C 3.57Å; L360-G376 WeakPolarHBondContact O-CA 3.35Å; Q361-G376 WeakPolarHBondContact O-CA 3.46Å; G376-L383 WeakPolarHBondContact O-CB 3.22Å; G376-L383 PolarHBondContact O-N 3Å; G376-R406 PolarHBondContact N-O 2.88Å
377	R	93.2	Very high	93.6	Very high	74 Å²	74	47.4 Å²	47.4	28%	0.279	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.1	-179.1	65.7	-178.9	-174.5	-178.6	-0.9	111.6	L360 K381 H407	L360-R377 HydrophobicContact CB-CG 3.99Å; L360-R377 PolarHBondContact N-O 2.85Å; L360-R377 PolarHBondContact O-N 2.87Å; R377-K381 CarbonylContact C-O 3.53Å; R377-K381 VanDerWaalsContact CA-O 3.22Å; R377-K381 WeakPolarHBondContact CA-O 3.5Å; R377-K381 WeakPolarHBondContact CB-O 3.44Å; R377-H407 HydrophobicContact CB-CB 4.05Å; R377-H407 HydrophobicContact CG-CB 4.35Å
378	D	90.8	Very high	93.8	Very high	76 Å²	76	46.9 Å²	46.9	41%	0.406	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	107.7	165.7	-176.4	18	0	0	0	109	R358 L380 K381 L383	R358-D378 IonicContact NH1-OD1 3.61Å; D378-L380 PolarHBondContact O-N 2.55Å; D378-L380 VanDerWaalsContact O-N 3.14Å; D378-K381 PolarHBondContact N-O 3.01Å; D378-K381 PolarHBondContact O-N 3.36Å; D378-L383 HydrophobicContact CB-CD1 4.4Å
379	G	86	Confident	94.2	Very high	35 Å²	35	40.9 Å²	40.9	36%	0.361	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-116.6	-170	0	0	0	0	0	111.6
380	L	85.5	Confident	94.4	Very high	184 Å²	184	39.3 Å²	39.3	96%	0.963	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-11.4	178.5	-62.7	176.5	0	0	0	113.3	D378	D378-L380 PolarHBondContact O-N 2.55Å; D378-L380 VanDerWaalsContact O-N 3.14Å
381	K	92.6	Very high	94.3	Very high	149 Å²	149	37 Å²	37	65%	0.648	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.2	-175.9	-175.4	-179.5	178.4	-178.1	0	110.5	R377 D378 L383	R377-K381 CarbonylContact C-O 3.53Å; R377-K381 VanDerWaalsContact CA-O 3.22Å; R377-K381 WeakPolarHBondContact CA-O 3.5Å; R377-K381 WeakPolarHBondContact CB-O 3.44Å; D378-K381 PolarHBondContact N-O 3.01Å; D378-K381 PolarHBondContact O-N 3.36Å; K381-L383 HydrophobicContact CD-CD2 4.18Å; K381-L383 HydrophobicContact CG-CD2 4.21Å
382	T	95.9	Very high	93.9	Very high	20 Å²	20	40.5 Å²	40.5	12%	0.123	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.7	166.8	-47.5	0	0	0	0	110.1	P405 H407 D425 G426	T382-P405 HydrophobicContact CG2-CB 3.86Å; T382-H407 HydrophobicContact CG2-CB 4.19Å; T382-H407 PolarHBondContact OG1-ND1 3.32Å; T382-D425 VanDerWaalsContact CB-O 3.24Å; T382-D425 WeakPolarHBondContact CB-O 3.46Å; T382-D425 PolarHBondContact OG1-O 3.42Å; T382-D425 VanDerWaalsContact OG1-O 3.04Å; T382-G426 WeakPolarHBondContact OG1-CA 3.3Å
383	L	96.5	Very high	93.6	Very high	21 Å²	21	44.9 Å²	44.9	11%	0.11	24%	0.24	C	C	.	.			trans	-108	141.3	-175.4	-55.4	174.5	0	0	0	110.9	R359 G375 G376 D378 K381 P405 R406	R359-L383 HydrophobicContact CG-CD1 4.16Å; G375-L383 WeakPolarHBondContact CA-O 2.95Å; G376-L383 WeakPolarHBondContact O-CB 3.22Å; G376-L383 PolarHBondContact O-N 3Å; D378-L383 HydrophobicContact CB-CD1 4.4Å; K381-L383 HydrophobicContact CD-CD2 4.18Å; K381-L383 HydrophobicContact CG-CD2 4.21Å; L383-P405 WeakPolarHBondContact O-CA 3.45Å; L383-R406 PolarHBondContact O-N 2.94Å
384	N	97	Very high	93.3	Very high	57 Å²	57	47.6 Å²	47.6	31%	0.305	25%	0.254	S	S	.	.			trans	-105.1	-0.6	164	66.9	-24.9	0	0	0	112.3	A401 M402 P405	N384-A401 WeakPolarHBondContact O-CA 3.34Å; N384-A401 WeakPolarHBondContact O-CB 3.5Å; N384-M402 HydrophobicContact CB-CB 4.26Å; N384-M402 WeakPolarHBondContact CB-O 3.49Å; N384-M402 PolarHBondContact ND2-O 2.91Å; N384-M402 PolarHBondContact O-N 2.78Å; N384-P405 HydrophobicContact CB-CB 4.05Å
385	T	97.1	Very high	93.1	Very high	57 Å²	57	50 Å²	50	35%	0.35	27%	0.274	S	S	.	.			trans	-71.7	147.4	-175.1	58.4	0	0	0	0	111.3	R359 G375	R359-T385 PolarHBondContact NH1-O 2.81Å; R359-T385 PolarHBondContact NH2-OG1 2.84Å; G375-T385 PolarHBondContact N-O 3.21Å; G375-T385 VanDerWaalsContact N-O 3.12Å
386	V	97.2	Very high	93.1	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.9	179	-174.3	0	0	0	0	108.1	I372 L373 V374 L399 M402 W443	I372-V386 HydrophobicContact CG2-CG1 3.55Å; L373-V386 VanDerWaalsContact O-CA 3.3Å; L373-V386 WeakPolarHBondContact O-CA 3.33Å; L373-V386 WeakPolarHBondContact O-CG1 3.33Å; V374-V386 HydrophobicContact CG1-CG2 4.2Å; V374-V386 HydrophobicContact CG2-CG1 4.2Å; V386-L399 HydrophobicContact CB-CB 4Å; V386-L399 HydrophobicContact CG1-CB 3.86Å; V386-L399 HydrophobicContact CG1-CD1 4.02Å; V386-L399 HydrophobicContact CG1-CG 4.44Å; V386-L399 PolarHBondContact O-N 3.15Å; V386-M402 HydrophobicContact CG2-CG 4.29Å; V386-W443 HydrophobicContact CG2-CZ2 3.86Å
387	E	96	Very high	93.1	Very high	35 Å²	35	55 Å²	55	16%	0.164	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.2	179.9	-65	-179.2	99.3	0	0	109.1	T356 R359 I372 L373 W396	T356-E387 WeakPolarHBondContact CB-OE1 3.24Å; T356-E387 VanDerWaalsContact OG1-CD 3.27Å; T356-E387 PolarHBondContact OG1-OE1 3.15Å; T356-E387 PolarHBondContact OG1-OE2 3.01Å; R359-E387 IonicContact CZ-OE2 3.36Å; R359-E387 IonicContact NE-OE2 3.87Å; R359-E387 PolarHBondContact NE-OE2 2.98Å; R359-E387 IonicContact NH2-OE2 2.72Å; R359-E387 PolarHBondContact NH2-OE2 3.04Å; I372-E387 CarbonylContact C-O 3.53Å; I372-E387 WeakPolarHBondContact CA-O 3.47Å; L373-E387 PolarHBondContact N-O 2.67Å; L373-E387 PolarHBondContact O-N 2.97Å; E387-W396 HydrophobicContact CB-CE3 4.12Å; E387-W396 HydrophobicContact CB-CZ3 4.18Å
388	S	95.6	Very high	93.2	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.028	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.1	176.4	62.5	0	0	0	0	110.1	L371 W396 A397	L371-S388 CarbonylContact O-C 3.54Å; L371-S388 WeakPolarHBondContact O-CA 3.04Å; S388-W396 CarbonylContact O-C 3.6Å; S388-W396 WeakPolarHBondContact O-CA 3.31Å; S388-A397 PolarHBondContact N-O 2.78Å; S388-A397 PolarHBondContact O-N 2.97Å; S388-A397 PolarHBondContact OG-O 3.41Å; S388-A397 VanDerWaalsContact OG-O 3.08Å
389	L	95.4	Very high	93.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.9	168.8	170.5	67.1	0	0	0	107.6	W352 K353 K370 L371 L391 A395 W396	W352-L389 HydrophobicContact CH2-CD2 3.58Å; W352-L389 HydrophobicContact CZ3-CD2 3.59Å; K353-L389 HydrophobicContact CD-CD1 3.68Å; K353-L389 HydrophobicContact CD-CD2 3.61Å; K353-L389 HydrophobicContact CD-CG 4.31Å; K353-L389 VanDerWaalsContact CE-CD1 3.42Å; K370-L389 CarbonylContact C-O 3.53Å; K370-L389 VanDerWaalsContact CA-O 3.24Å; K370-L389 WeakPolarHBondContact CA-O 3.26Å; L371-L389 HydrophobicContact CB-CB 4.19Å; L371-L389 HydrophobicContact CD2-CD2 4.26Å; L371-L389 PolarHBondContact N-O 3.29Å; L371-L389 PolarHBondContact O-N 3.49Å; L389-L391 PolarHBondContact O-N 2.79Å; L389-A395 WeakPolarHBondContact CA-O 3.39Å; L389-W396 HydrophobicContact CB-CD2 3.95Å; L389-W396 HydrophobicContact CB-CE3 3.74Å; L389-W396 HydrophobicContact CB-CH2 3.8Å; L389-W396 HydrophobicContact CB-CZ2 4.05Å; L389-W396 HydrophobicContact CB-CZ3 3.66Å; L389-W396 HydrophobicContact CD1-CD2 4.24Å; L389-W396 HydrophobicContact CD1-CG 4.35Å; L389-W396 HydrophobicContact CD2-CH2 4.43Å; L389-W396 HydrophobicContact CD2-CZ2 4.12Å
390	D	92.6	Very high	93.9	Very high	40 Å²	40	58.3 Å²	58.3	21%	0.214	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	120.4	171.7	-177.4	-58.6	0	0	0	109.3	N392 T393 M394 A395	D390-N392 VanDerWaalsContact C-N 3.25Å; D390-N392 PolarHBondContact O-N 2.77Å; D390-N392 WeakPolarHBondContact OD1-CA 3.44Å; D390-N392 WeakPolarHBondContact OD1-CB 3.43Å; D390-N392 PolarHBondContact OD1-N 3.17Å; D390-T393 VanDerWaalsContact CB-OG1 3.29Å; D390-T393 WeakPolarHBondContact CB-OG1 3.27Å; D390-T393 VanDerWaalsContact CG-OG1 3.24Å; D390-T393 PolarHBondContact OD1-N 3.36Å; D390-T393 PolarHBondContact OD1-OG1 2.72Å; D390-T393 VanDerWaalsContact OD1-OG1 3.14Å; D390-M394 WeakPolarHBondContact O-CA 3.26Å; D390-M394 PolarHBondContact O-N 2.84Å; D390-A395 PolarHBondContact N-O 3.42Å
391	L	90.2	Very high	94.5	Very high	20 Å²	20	51.8 Å²	51.8	11%	0.105	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-16	-174.1	-62	175.5	0	0	0	112.7	W352 V366 D369 L371 L389 I608	W352-L391 HydrophobicContact CH2-CD2 3.67Å; W352-L391 HydrophobicContact CZ2-CD2 4.23Å; V366-L391 HydrophobicContact CG1-CD1 4.23Å; D369-L391 WeakPolarHBondContact O-CB 3.45Å; D369-L391 WeakPolarHBondContact O-CG 3.43Å; D369-L391 PolarHBondContact O-N 2.85Å; L371-L391 HydrophobicContact CB-CD2 4.22Å; L389-L391 PolarHBondContact O-N 2.79Å; L391-I608 HydrophobicContact CD1-CB 4.38Å; L391-I608 HydrophobicContact CD1-CG2 3.79Å; L391-I608 HydrophobicContact CD2-CG2 4.49Å
392	N	87.8	Confident	94.7	Very high	73 Å²	73	44.9 Å²	44.9	39%	0.39	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-48.8	178.3	-62.3	-51.9	0	0	0	111.1	D390	D390-N392 VanDerWaalsContact C-N 3.25Å; D390-N392 PolarHBondContact O-N 2.77Å; D390-N392 WeakPolarHBondContact OD1-CA 3.44Å; D390-N392 WeakPolarHBondContact OD1-CB 3.43Å; D390-N392 PolarHBondContact OD1-N 3.17Å
393	T	90.3	Very high	94.7	Very high	95 Å²	95	47.1 Å²	47.1	58%	0.583	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-15	-178.9	62.9	0	0	0	0	113	D390 A395	D390-T393 VanDerWaalsContact CB-OG1 3.29Å; D390-T393 WeakPolarHBondContact CB-OG1 3.27Å; D390-T393 VanDerWaalsContact CG-OG1 3.24Å; D390-T393 PolarHBondContact OD1-N 3.36Å; D390-T393 PolarHBondContact OD1-OG1 2.72Å; D390-T393 VanDerWaalsContact OD1-OG1 3.14Å; T393-A395 PolarHBondContact O-N 2.83Å; T393-A395 PolarHBondContact OG1-N 2.89Å
394	M	90.4	Very high	94.7	Very high	57 Å²	57	47.3 Å²	47.3	28%	0.281	29%	0.289	S	S	.	.			trans	56.5	33.2	-174.2	-65.4	-68.2	-83.2	0	0	112.1	W352 K353 D390	W352-M394 HydrophobicContact CD2-CE 4.22Å; W352-M394 VanDerWaalsContact CE2-CE 3.44Å; W352-M394 HydrophobicContact CH2-CE 3.92Å; W352-M394 HydrophobicContact CH2-SD 4.03Å; W352-M394 HydrophobicContact CZ2-CE 3.29Å; W352-M394 HydrophobicContact CZ2-SD 3.57Å; W352-M394 VanDerWaalsContact CZ2-SD 3.57Å; K353-M394 HydrophobicContact CD-CE 4.05Å; K353-M394 VanDerWaalsContact CE-O 3.25Å; K353-M394 WeakPolarHBondContact CE-O 3.44Å; K353-M394 PolarHBondContact NZ-O 2.97Å; D390-M394 WeakPolarHBondContact O-CA 3.26Å; D390-M394 PolarHBondContact O-N 2.84Å
395	A	93.1	Very high	94.8	Very high	51 Å²	51	46.7 Å²	46.7	42%	0.421	29%	0.288	S	S	.	.			trans	-107	139.1	179.1	0	0	0	0	0	111.8	L389 D390 T393	L389-A395 WeakPolarHBondContact CA-O 3.39Å; D390-A395 PolarHBondContact N-O 3.42Å; T393-A395 PolarHBondContact O-N 2.83Å; T393-A395 PolarHBondContact OG1-N 2.89Å
396	W	96	Very high	94.8	Very high	57 Å²	57	44 Å²	44	22%	0.216	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.6	172.1	-73.2	106.3	0	0	0	110.4	I339 H354 M355 T356 L373 E387 S388 L389	I339-W396 HydrophobicContact CD1-CH2 4.47Å; I339-W396 HydrophobicContact CD1-CZ2 4.04Å; H354-W396 PolarHBondContact O-NE1 2.75Å; M355-W396 HydrophobicContact CG-CZ2 4.34Å; T356-W396 HydrophobicContact CG2-CB 3.79Å; T356-W396 HydrophobicContact CG2-CD2 4.11Å; T356-W396 HydrophobicContact CG2-CG 3.67Å; L373-W396 HydrophobicContact CD1-CH2 3.57Å; L373-W396 HydrophobicContact CD1-CZ3 3.84Å; L373-W396 HydrophobicContact CG-CH2 4Å; L373-W396 HydrophobicContact CG-CZ3 3.97Å; E387-W396 HydrophobicContact CB-CE3 4.12Å; E387-W396 HydrophobicContact CB-CZ3 4.18Å; S388-W396 CarbonylContact O-C 3.6Å; S388-W396 WeakPolarHBondContact O-CA 3.31Å; L389-W396 HydrophobicContact CB-CD2 3.95Å; L389-W396 HydrophobicContact CB-CE3 3.74Å; L389-W396 HydrophobicContact CB-CH2 3.8Å; L389-W396 HydrophobicContact CB-CZ2 4.05Å; L389-W396 HydrophobicContact CB-CZ3 3.66Å; L389-W396 HydrophobicContact CD1-CD2 4.24Å; L389-W396 HydrophobicContact CD1-CG 4.35Å; L389-W396 HydrophobicContact CD2-CH2 4.43Å; L389-W396 HydrophobicContact CD2-CZ2 4.12Å
397	A	95.6	Very high	94.7	Very high	46 Å²	46	44.9 Å²	44.9	38%	0.38	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137	174.4	0	0	0	0	0	110.7	S388	S388-A397 PolarHBondContact N-O 2.78Å; S388-A397 PolarHBondContact O-N 2.97Å; S388-A397 PolarHBondContact OG-O 3.41Å; S388-A397 VanDerWaalsContact OG-O 3.08Å
398	P	95.6	Very high	94.6	Very high	114 Å²	114	43.6 Å²	43.6	74%	0.74	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	142.7	173.3	30	-34	0	0	0	110.7
399	L	95.3	Very high	94.7	Very high	48 Å²	48	44 Å²	44	25%	0.251	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	167.4	167.1	-66.4	-178	0	0	0	109.9	I372 V386 A401	I372-L399 HydrophobicContact CD1-CD1 4.13Å; I372-L399 HydrophobicContact CG1-CD1 4.34Å; I372-L399 HydrophobicContact CG2-CD1 4.1Å; V386-L399 HydrophobicContact CB-CB 4Å; V386-L399 HydrophobicContact CG1-CB 3.86Å; V386-L399 HydrophobicContact CG1-CD1 4.02Å; V386-L399 HydrophobicContact CG1-CG 4.44Å; V386-L399 PolarHBondContact O-N 3.15Å; L399-A401 PolarHBondContact O-N 2.75Å
400	N	96.4	Very high	94.8	Very high	94 Å²	94	44.3 Å²	44.3	50%	0.503	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-58.8	133.6	177	-70.6	-10.7	0	0	0	110.1	W436 R441 W443	N400-W436 HydrophobicContact CB-CH2 3.78Å; N400-W436 HydrophobicContact CB-CZ3 3.66Å; N400-R441 PolarHBondContact ND2-O 2.81Å; N400-W443 PolarHBondContact O-NE1 2.75Å
401	A	97.3	Very high	95	Very high	47 Å²	47	43.3 Å²	43.3	39%	0.388	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-71.5	152.1	-177.2	0	0	0	0	0	111.4	N384 L399 W443	N384-A401 WeakPolarHBondContact O-CA 3.34Å; N384-A401 WeakPolarHBondContact O-CB 3.5Å; L399-A401 PolarHBondContact O-N 2.75Å; A401-W443 VanDerWaalsContact O-CD1 3.23Å
402	M	97.7	Very high	95.3	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-63.7	156.9	168.8	-65.6	179.8	-62.7	0	0	110.6	V374 N384 V386 R406 L409 A420 W443	V374-M402 HydrophobicContact CG1-CE 3.69Å; V374-M402 HydrophobicContact CG1-CG 4.28Å; V374-M402 HydrophobicContact CG1-SD 3.38Å; V374-M402 WeakPolarHBondContact CG1-SD 3.24Å; N384-M402 HydrophobicContact CB-CB 4.26Å; N384-M402 WeakPolarHBondContact CB-O 3.49Å; N384-M402 PolarHBondContact ND2-O 2.91Å; N384-M402 PolarHBondContact O-N 2.78Å; V386-M402 HydrophobicContact CG2-CG 4.29Å; M402-R406 HydrophobicContact CE-CB 4.2Å; M402-R406 HydrophobicContact CE-CG 4.34Å; M402-L409 HydrophobicContact CE-CD1 4.37Å; M402-L409 HydrophobicContact SD-CD1 4.4Å; M402-A420 HydrophobicContact SD-CB 3.64Å; M402-W443 HydrophobicContact CG-CD2 3.85Å; M402-W443 HydrophobicContact CG-CE3 4.15Å; M402-W443 HydrophobicContact CG-CG 4.37Å; M402-W443 HydrophobicContact CG-CH2 4.15Å; M402-W443 HydrophobicContact CG-CZ2 3.87Å; M402-W443 HydrophobicContact CG-CZ3 4.28Å; M402-W443 HydrophobicContact SD-CH2 4.42Å
403	A	96.8	Very high	95.7	Very high	68 Å²	68	41.6 Å²	41.6	56%	0.562	27%	0.266	S	S	*	.	S	Bend	trans	-68.3	-41.6	174.2	0	0	0	0	0	111.1	E434 Y445	A403-E434 WeakPolarHBondContact CB-OE2 3.35Å; A403-E434 PolarHBondContact N-OE2 2.89Å; A403-Y445 HydrophobicContact CB-CE2 4.1Å; A403-Y445 WeakPolarHBondContact CB-OH 3.23Å
404	T	96.6	Very high	96	Very high	25 Å²	25	37.1 Å²	37.1	15%	0.153	24%	0.238	C	C	.	.	S	Bend	trans	-105.3	134	178.5	-58.3	0	0	0	0	110.8	R406 D425 L430 E434 Y445	T404-R406 HydrophobicContact CG2-CG 4.36Å; T404-D425 HydrophobicContact CG2-CB 4.02Å; T404-L430 HydrophobicContact CG2-CD1 3.93Å; T404-L430 HydrophobicContact CG2-CD2 4.49Å; T404-E434 WeakPolarHBondContact CB-OE1 3.25Å; T404-E434 PolarHBondContact N-OE1 2.85Å; T404-Y445 PolarHBondContact OG1-OH 2.76Å
405	P	97.3	Very high	95.9	Very high	43 Å²	43	40.3 Å²	40.3	28%	0.279	25%	0.252	S	S	.	.			trans	-68.3	137.8	168.7	29.9	-34.1	0	0	0	110	T382 L383 N384 D425	T382-P405 HydrophobicContact CG2-CB 3.86Å; L383-P405 WeakPolarHBondContact O-CA 3.45Å; N384-P405 HydrophobicContact CB-CB 4.05Å; P405-D425 HydrophobicContact CG-CB 4.45Å; P405-D425 WeakPolarHBondContact O-CA 3.44Å; P405-D425 VanDerWaalsContact O-CB 3.29Å; P405-D425 WeakPolarHBondContact O-CB 3.14Å
406	R	97.2	Very high	95.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.25	C	S	.	.			trans	-144.1	131.6	-173.4	-59.2	172.5	-175.6	-88.9	-5.8	110.6	G375 G376 L383 M402 T404 L409 G422 H424 L430 T432 E434	G375-R406 CarbonylContact C-O 3.58Å; G375-R406 WeakPolarHBondContact CA-O 3.38Å; G376-R406 PolarHBondContact N-O 2.88Å; L383-R406 PolarHBondContact O-N 2.94Å; M402-R406 HydrophobicContact CE-CB 4.2Å; M402-R406 HydrophobicContact CE-CG 4.34Å; T404-R406 HydrophobicContact CG2-CG 4.36Å; R406-L409 HydrophobicContact CB-CB 4.27Å; R406-L409 HydrophobicContact CB-CD1 4.08Å; R406-G422 PolarHBondContact NH1-O 2.85Å; R406-G422 VanDerWaalsContact NH1-O 3.08Å; R406-H424 WeakPolarHBondContact CA-O 3.21Å; R406-L430 HydrophobicContact CG-CD1 3.73Å; R406-T432 PolarHBondContact NH1-O 3.16Å; R406-T432 PolarHBondContact NH1-OG1 2.84Å; R406-T432 PolarHBondContact NH2-OG1 3.42Å; R406-E434 IonicContact CZ-OE1 3.41Å; R406-E434 VanDerWaalsContact CZ-OE1 3.24Å; R406-E434 IonicContact NE-OE1 2.68Å; R406-E434 PolarHBondContact NE-OE1 3.25Å; R406-E434 IonicContact NH2-OE1 3.17Å; R406-E434 PolarHBondContact NH2-OE1 3.31Å
407	H	95.8	Very high	95.8	Very high	23 Å²	23	37.7 Å²	37.7	11%	0.106	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-125.4	157.4	163.2	70.6	-93.5	0	0	0	110.9	Q361 R377 T382 L409 G423 H424	Q361-H407 HydrophobicContact CB-CB 4.37Å; Q361-H407 PolarHBondContact OE1-CD2 2.81Å; Q361-H407 VanDerWaalsContact OE1-CD2 3.22Å; R377-H407 HydrophobicContact CB-CB 4.05Å; R377-H407 HydrophobicContact CG-CB 4.35Å; T382-H407 HydrophobicContact CG2-CB 4.19Å; T382-H407 PolarHBondContact OG1-ND1 3.32Å; H407-L409 PolarHBondContact O-N 2.78Å; H407-G423 CarbonylContact O-C 3.45Å; H407-G423 VanDerWaalsContact O-CA 3.25Å; H407-G423 WeakPolarHBondContact O-CA 3.5Å; H407-H424 AromaticContact CE1-CG 3.87Å; H407-H424 AromaticContact CE1-ND1 3.33Å; H407-H424 PolarHBondContact CE1-ND1 2.96Å; H407-H424 VanDerWaalsContact CE1-ND1 3.33Å; H407-H424 PolarHBondContact N-O 2.83Å; H407-H424 PolarHBondContact ND1-O 3.42Å; H407-H424 VanDerWaalsContact ND1-O 3.13Å; H407-H424 AromaticContact NE2-ND1 3.91Å; H407-H424 PolarHBondContact O-N 2.81Å
408	G	94.4	Very high	95.9	Very high	7 Å²	7	35.6 Å²	35.6	7%	0.072	23%	0.227	C	C	.	.	S	Bend	trans	65.3	22.2	-172.4	0	0	0	0	0	113	Q361 T455	Q361-G408 PolarHBondContact O-N 3.22Å; G408-T455 WeakPolarHBondContact O-CA 3.34Å; G408-T455 PolarHBondContact O-N 2.89Å
409	L	97.1	Very high	96	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.063	19%	0.194	C	C	.	.			trans	-77.6	154.7	176.2	72	170.5	0	0	0	111.5	V374 M402 R406 H407 V411 A420	V374-L409 HydrophobicContact CB-CD1 4.46Å; V374-L409 HydrophobicContact CG1-CD1 3.96Å; M402-L409 HydrophobicContact CE-CD1 4.37Å; M402-L409 HydrophobicContact SD-CD1 4.4Å; R406-L409 HydrophobicContact CB-CB 4.27Å; R406-L409 HydrophobicContact CB-CD1 4.08Å; H407-L409 PolarHBondContact O-N 2.78Å; L409-V411 HydrophobicContact CD1-CG2 3.83Å; L409-V411 HydrophobicContact CG-CG2 4.01Å; L409-A420 HydrophobicContact CD1-CB 4Å
410	G	96.6	Very high	96.2	Very high	8 Å²	8	28.3 Å²	28.3	8%	0.082	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	146.1	163.7	0	0	0	0	0	110.9	V421	G410-V421 PolarHBondContact N-O 2.85Å; G410-V421 PolarHBondContact O-N 3.12Å
411	V	97.3	Very high	96.2	Very high	18 Å²	18	24 Å²	24	11%	0.109	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.6	-179.5	175.3	0	0	0	0	109.6	A365 V374 L409 L418 Y419	A365-V411 HydrophobicContact CB-CG1 4Å; V374-V411 HydrophobicContact CB-CG2 3.96Å; V374-V411 HydrophobicContact CG1-CG2 4.37Å; V374-V411 HydrophobicContact CG2-CG1 4.15Å; V374-V411 HydrophobicContact CG2-CG2 4.25Å; L409-V411 HydrophobicContact CD1-CG2 3.83Å; L409-V411 HydrophobicContact CG-CG2 4.01Å; V411-L418 HydrophobicContact CG1-CD1 3.47Å; V411-L418 VanDerWaalsContact CG1-CD1 3.47Å; V411-L418 HydrophobicContact CG1-CD2 4.37Å; V411-L418 HydrophobicContact CG1-CG 4.01Å; V411-Y419 VanDerWaalsContact CA-O 3.29Å; V411-Y419 WeakPolarHBondContact CA-O 3.45Å
412	A	96.8	Very high	96.2	Very high	11 Å²	11	21.8 Å²	21.8	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.3	174.9	0	0	0	0	0	111.9	Y419 V458 V460 L465	A412-Y419 PolarHBondContact N-O 2.9Å; A412-Y419 PolarHBondContact O-N 2.84Å; A412-V458 HydrophobicContact CB-CG1 4.02Å; A412-V460 HydrophobicContact CB-CG2 3.83Å; A412-L465 HydrophobicContact CB-CD1 3.72Å
413	V	96.3	Very high	96.2	Very high	46 Å²	46	21.7 Å²	21.7	28%	0.279	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.2	174.2	177.8	0	0	0	0	108.3	A365 M367 G416 P417 L418	A365-V413 HydrophobicContact CB-CG2 3.95Å; M367-V413 HydrophobicContact CB-CG2 4Å; M367-V413 HydrophobicContact CG-CG1 4.37Å; M367-V413 HydrophobicContact CG-CG2 4.26Å; M367-V413 HydrophobicContact SD-CG2 4.34Å; V413-G416 WeakPolarHBondContact CG1-O 3.27Å; V413-P417 WeakPolarHBondContact CA-O 3.37Å; V413-L418 HydrophobicContact CG2-CD1 3.53Å
414	L	95.6	Very high	96.1	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	12%	0.119	C	C	.	.			trans	-126.8	115.1	178.6	168.5	66.3	0	0	0	108.6	G416 P417 Y419 V460 G463 L465 P485	L414-G416 PolarHBondContact O-N 3.17Å; L414-G416 VanDerWaalsContact O-N 3.16Å; L414-P417 PolarHBondContact N-O 3.03Å; L414-P417 VanDerWaalsContact O-CD 3.27Å; L414-P417 WeakPolarHBondContact O-CD 3.44Å; L414-Y419 HydrophobicContact CB-CD2 3.96Å; L414-Y419 HydrophobicContact CB-CE2 3.67Å; L414-Y419 HydrophobicContact CD2-CE2 4.24Å; L414-Y419 HydrophobicContact CG-CE2 4.29Å; L414-V460 HydrophobicContact CB-CG1 4.44Å; L414-V460 HydrophobicContact CB-CG2 3.9Å; L414-V460 HydrophobicContact CD1-CG1 3.57Å; L414-V460 HydrophobicContact CD1-CG2 4.38Å; L414-G463 VanDerWaalsContact CD1-C 3.44Å; L414-G463 WeakPolarHBondContact CD1-O 3.44Å; L414-L465 HydrophobicContact CD2-CB 4.04Å; L414-P485 HydrophobicContact CD2-CB 4.11Å; L414-P485 HydrophobicContact CD2-CG 3.85Å
415	E	90.3	Very high	96.1	Very high	124 Å²	124	20.1 Å²	20.1	58%	0.579	12%	0.12	S	C	*	.	S	Bend	trans	55.3	30	176.8	-61.5	177.4	167.4	0	0	114.2	P417 H486	E415-P417 WeakPolarHBondContact O-CD 3.41Å; E415-H486 IonicContact OE1-CE1 3.4Å; E415-H486 IonicContact OE2-CE1 3.88Å
416	G	90.9	Very high	95.8	Very high	36 Å²	36	19.9 Å²	19.9	37%	0.371	13%	0.126	S	C	.	.	S	Bend	trans	110.3	-58.8	-179.6	0	0	0	0	0	113.1	V413 L414	V413-G416 WeakPolarHBondContact CG1-O 3.27Å; L414-G416 PolarHBondContact O-N 3.17Å; L414-G416 VanDerWaalsContact O-N 3.16Å
417	P	95.3	Very high	95.5	Very high	17 Å²	17	31.3 Å²	31.3	11%	0.11	17%	0.169	C	C	.	.			trans	-61.4	150.5	177	-26.5	34.2	0	0	0	114.7	V413 L414 E415 Y419 R435 W436	V413-P417 WeakPolarHBondContact CA-O 3.37Å; L414-P417 PolarHBondContact N-O 3.03Å; L414-P417 VanDerWaalsContact O-CD 3.27Å; L414-P417 WeakPolarHBondContact O-CD 3.44Å; E415-P417 WeakPolarHBondContact O-CD 3.41Å; P417-Y419 HydrophobicContact CB-CE2 3.84Å; P417-R435 HydrophobicContact CB-CG 3.85Å; P417-W436 WeakPolarHBondContact CA-O 3.33Å; P417-W436 WeakPolarHBondContact CB-O 3.45Å
418	L	97.2	Very high	95.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.5	175.7	-179	78	0	0	0	110	A365 M367 I372 V374 V411 V413 R435 W436 W443	A365-L418 HydrophobicContact CB-CD1 3.57Å; M367-L418 HydrophobicContact SD-CB 4.09Å; I372-L418 HydrophobicContact CB-CD2 4.49Å; I372-L418 HydrophobicContact CD1-CD2 4.46Å; I372-L418 HydrophobicContact CG2-CD2 3.93Å; V374-L418 HydrophobicContact CG2-CD2 3.75Å; V411-L418 HydrophobicContact CG1-CD1 3.47Å; V411-L418 VanDerWaalsContact CG1-CD1 3.47Å; V411-L418 HydrophobicContact CG1-CD2 4.37Å; V411-L418 HydrophobicContact CG1-CG 4.01Å; V413-L418 HydrophobicContact CG2-CD1 3.53Å; L418-R435 CarbonylContact O-C 3.56Å; L418-R435 WeakPolarHBondContact O-CA 3.37Å; L418-W436 HydrophobicContact CB-CB 4.05Å; L418-W436 PolarHBondContact N-O 2.85Å; L418-W436 PolarHBondContact O-N 3.02Å; L418-W443 HydrophobicContact CD2-CH2 4.1Å
419	Y	98.3	Very high	95.4	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.035	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.5	-177.7	-67	-101.8	0	0	0	110.7	V411 A412 L414 P417 V433 E434 R435 V446 L465 Y483	V411-Y419 VanDerWaalsContact CA-O 3.29Å; V411-Y419 WeakPolarHBondContact CA-O 3.45Å; A412-Y419 PolarHBondContact N-O 2.9Å; A412-Y419 PolarHBondContact O-N 2.84Å; L414-Y419 HydrophobicContact CB-CD2 3.96Å; L414-Y419 HydrophobicContact CB-CE2 3.67Å; L414-Y419 HydrophobicContact CD2-CE2 4.24Å; L414-Y419 HydrophobicContact CG-CE2 4.29Å; P417-Y419 HydrophobicContact CB-CE2 3.84Å; Y419-V433 HydrophobicContact CD1-CG1 4.29Å; Y419-E434 CarbonylContact C-O 3.59Å; Y419-E434 WeakPolarHBondContact CA-O 3.42Å; Y419-R435 HydrophobicContact CD1-CB 4Å; Y419-R435 HydrophobicContact CD1-CG 4.24Å; Y419-R435 HydrophobicContact CE1-CB 3.85Å; Y419-R435 HydrophobicContact CE1-CG 3.77Å; Y419-R435 HydrophobicContact CE2-CG 4.34Å; Y419-V446 HydrophobicContact CE1-CG1 4.4Å; Y419-L465 HydrophobicContact CD1-CD2 4.27Å; Y419-L465 HydrophobicContact CG-CD2 4.11Å; Y419-Y483 AromaticContact CE1-CE1 3.88Å; Y419-Y483 HydrophobicContact CE1-CE1 3.88Å
420	A	98.2	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.9	172.6	0	0	0	0	0	109.1	V374 M402 L409 V433 E434 W443	V374-A420 HydrophobicContact CG1-CB 4.27Å; M402-A420 HydrophobicContact SD-CB 3.64Å; L409-A420 HydrophobicContact CD1-CB 4Å; A420-V433 WeakPolarHBondContact O-CA 3.25Å; A420-E434 HydrophobicContact CB-CB 4.49Å; A420-E434 PolarHBondContact N-O 2.96Å; A420-E434 PolarHBondContact O-N 3.02Å; A420-W443 HydrophobicContact CB-CH2 4.16Å; A420-W443 HydrophobicContact CB-CZ3 3.84Å
421	V	98.3	Very high	95.4	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.03	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.2	-166.7	-176.1	0	0	0	0	110.7	G410 V433 M449 V458 L465 A467 W490	G410-V421 PolarHBondContact N-O 2.85Å; G410-V421 PolarHBondContact O-N 3.12Å; V421-V433 HydrophobicContact CB-CG2 4.5Å; V421-V433 HydrophobicContact CG1-CG2 4.06Å; V421-V433 HydrophobicContact CG2-CG1 3.96Å; V421-M449 HydrophobicContact CG1-CE 3.73Å; V421-M449 HydrophobicContact CG1-SD 3.57Å; V421-M449 VanDerWaalsContact CG1-SD 3.57Å; V421-V458 HydrophobicContact CB-CG2 4Å; V421-V458 HydrophobicContact CG1-CG2 4.12Å; V421-V458 HydrophobicContact CG2-CG1 4.04Å; V421-V458 HydrophobicContact CG2-CG2 4.37Å; V421-L465 HydrophobicContact CG2-CD2 3.71Å; V421-A467 HydrophobicContact CG1-CB 4.27Å; V421-W490 HydrophobicContact CG1-CH2 4.24Å; V421-W490 HydrophobicContact CG1-CZ2 4.5Å
422	G	97.3	Very high	95.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.			trans	63.7	-137.3	172.9	0	0	0	0	0	113.4	R406 L430 T432	R406-G422 PolarHBondContact NH1-O 2.85Å; R406-G422 VanDerWaalsContact NH1-O 3.08Å; G422-L430 WeakPolarHBondContact CA-O 3.46Å; G422-T432 PolarHBondContact N-O 2.83Å; G422-T432 VanDerWaalsContact N-O 3.11Å
423	G	96.7	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.			trans	94.7	-158.9	-176.1	0	0	0	0	0	113.3	H407 L430 R453	H407-G423 CarbonylContact O-C 3.45Å; H407-G423 VanDerWaalsContact O-CA 3.25Å; H407-G423 WeakPolarHBondContact O-CA 3.5Å; G423-L430 PolarHBondContact O-N 3.06Å; G423-R453 PolarHBondContact N-O 3.16Å
424	H	95.3	Very high	95.6	Very high	28 Å²	28	34.9 Å²	34.9	13%	0.13	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-135.9	132.8	177.8	-172.7	-86.3	0	0	0	109.4	R406 H407 G426 W427 S428 Y429	R406-H424 WeakPolarHBondContact CA-O 3.21Å; H407-H424 AromaticContact CE1-CG 3.87Å; H407-H424 AromaticContact CE1-ND1 3.33Å; H407-H424 PolarHBondContact CE1-ND1 2.96Å; H407-H424 VanDerWaalsContact CE1-ND1 3.33Å; H407-H424 PolarHBondContact N-O 2.83Å; H407-H424 PolarHBondContact ND1-O 3.42Å; H407-H424 VanDerWaalsContact ND1-O 3.13Å; H407-H424 AromaticContact NE2-ND1 3.91Å; H407-H424 PolarHBondContact O-N 2.81Å; H424-G426 WeakPolarHBondContact ND1-CA 3.35Å; H424-G426 PolarHBondContact ND1-N 3.38Å; H424-W427 PolarHBondContact CE1-N 2.86Å; H424-S428 WeakPolarHBondContact CA-O 3.34Å; H424-S428 PolarHBondContact CD2-O 2.86Å; H424-S428 VanDerWaalsContact CD2-O 3.25Å; H424-Y429 AromaticContact CD2-CD1 4Å; H424-Y429 AromaticContact CD2-CD2 3.76Å; H424-Y429 AromaticContact CD2-CE2 3.79Å; H424-Y429 AromaticContact CD2-CG 3.85Å; H424-Y429 AromaticContact CD2-CZ 3.93Å
425	D	95.2	Very high	95.8	Very high	33 Å²	33	38.3 Å²	38.3	18%	0.176	20%	0.196	C	C	.	.			trans	-85.3	-10.8	-176	60.3	13.7	0	0	0	114.3	T382 T404 P405 W427 S428 L430	T382-D425 VanDerWaalsContact CB-O 3.24Å; T382-D425 WeakPolarHBondContact CB-O 3.46Å; T382-D425 PolarHBondContact OG1-O 3.42Å; T382-D425 VanDerWaalsContact OG1-O 3.04Å; T404-D425 HydrophobicContact CG2-CB 4.02Å; P405-D425 HydrophobicContact CG-CB 4.45Å; P405-D425 WeakPolarHBondContact O-CA 3.44Å; P405-D425 VanDerWaalsContact O-CB 3.29Å; P405-D425 WeakPolarHBondContact O-CB 3.14Å; D425-W427 WeakPolarHBondContact OD1-CA 3.27Å; D425-W427 WeakPolarHBondContact OD1-CB 3.4Å; D425-W427 PolarHBondContact OD1-N 3.3Å; D425-S428 PolarHBondContact N-O 3.15Å; D425-S428 VanDerWaalsContact N-O 3.15Å; D425-S428 PolarHBondContact OD1-N 2.84Å; D425-S428 PolarHBondContact OD2-OG 3.23Å; D425-S428 VanDerWaalsContact OD2-OG 3.06Å; D425-L430 HydrophobicContact CB-CD1 4.1Å; D425-L430 HydrophobicContact CB-CD2 4.25Å; D425-L430 HydrophobicContact CB-CG 4.46Å
426	G	91.9	Very high	96.1	Very high	38 Å²	38	33 Å²	33	39%	0.392	17%	0.17	S	C	.	.	S	Bend	trans	115.7	-16	-172.4	0	0	0	0	0	112.4	T382 H424	T382-G426 WeakPolarHBondContact OG1-CA 3.3Å; H424-G426 WeakPolarHBondContact ND1-CA 3.35Å; H424-G426 PolarHBondContact ND1-N 3.38Å
427	W	90.8	Very high	96.3	Very high	240 Å²	240	33.1 Å²	33.1	91%	0.909	16%	0.163	S	C	*	.	S	Bend	trans	-125.2	-42.3	-178.9	-56.6	96.8	0	0	0	112.5	H424 D425	H424-W427 PolarHBondContact CE1-N 2.86Å; D425-W427 WeakPolarHBondContact OD1-CA 3.27Å; D425-W427 WeakPolarHBondContact OD1-CB 3.4Å; D425-W427 PolarHBondContact OD1-N 3.3Å
428	S	93.8	Very high	96.1	Very high	48 Å²	48	33.5 Å²	33.5	34%	0.336	17%	0.165	S	C	.	.	S	Bend	trans	-136.9	151.6	-172.3	74	0	0	0	0	112.5	H424 D425	H424-S428 WeakPolarHBondContact CA-O 3.34Å; H424-S428 PolarHBondContact CD2-O 2.86Å; H424-S428 VanDerWaalsContact CD2-O 3.25Å; D425-S428 PolarHBondContact N-O 3.15Å; D425-S428 VanDerWaalsContact N-O 3.15Å; D425-S428 PolarHBondContact OD1-N 2.84Å; D425-S428 PolarHBondContact OD2-OG 3.23Å; D425-S428 VanDerWaalsContact OD2-OG 3.06Å
429	Y	95.1	Very high	95.8	Very high	57 Å²	57	40.8 Å²	40.8	22%	0.224	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-75.8	138.2	168.1	-66.2	-96.3	0	0	0	109	H424 M452 R471 D472 G473	H424-Y429 AromaticContact CD2-CD1 4Å; H424-Y429 AromaticContact CD2-CD2 3.76Å; H424-Y429 AromaticContact CD2-CE2 3.79Å; H424-Y429 AromaticContact CD2-CG 3.85Å; H424-Y429 AromaticContact CD2-CZ 3.93Å; Y429-M452 WeakPolarHBondContact O-CE 3.36Å; Y429-M452 WeakPolarHBondContact O-CG 3.24Å; Y429-R471 WeakPolarHBondContact CD1-O 3.21Å; Y429-R471 HydrophobicContact CE1-CG 4.09Å; Y429-D472 WeakPolarHBondContact CD2-O 3.42Å; Y429-G473 WeakPolarHBondContact OH-CA 3.28Å
430	L	96.9	Very high	95.6	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.068	22%	0.224	C	C	.	.			trans	-105.5	140.3	-171.1	-57.1	172.4	0	0	0	110.9	T404 R406 G422 G423 D425 R453	T404-L430 HydrophobicContact CG2-CD1 3.93Å; T404-L430 HydrophobicContact CG2-CD2 4.49Å; R406-L430 HydrophobicContact CG-CD1 3.73Å; G422-L430 WeakPolarHBondContact CA-O 3.46Å; G423-L430 PolarHBondContact O-N 3.06Å; D425-L430 HydrophobicContact CB-CD1 4.1Å; D425-L430 HydrophobicContact CB-CD2 4.25Å; D425-L430 HydrophobicContact CB-CG 4.46Å; L430-R453 PolarHBondContact O-N 3.48Å
431	N	97	Very high	95.4	Very high	43 Å²	43	51.5 Å²	51.5	23%	0.23	26%	0.255	C	S	.	.			trans	-107	-3.5	163.1	68.9	-25	0	0	0	112.2	P448 M449 S451 M452	N431-P448 CarbonylContact O-C 3.53Å; N431-P448 WeakPolarHBondContact O-CA 3.24Å; N431-M449 HydrophobicContact CB-CB 4.21Å; N431-M449 WeakPolarHBondContact CB-O 3.38Å; N431-M449 PolarHBondContact ND2-O 3.31Å; N431-M449 PolarHBondContact O-N 2.94Å; N431-S451 WeakPolarHBondContact CB-O 3.18Å; N431-M452 HydrophobicContact CB-CG 4.08Å
432	T	98.1	Very high	95.3	Very high	38 Å²	38	54.7 Å²	54.7	23%	0.233	28%	0.275	C	S	.	.			trans	-74.5	151.7	-178.6	57.4	0	0	0	0	111.4	R406 G422	R406-T432 PolarHBondContact NH1-O 3.16Å; R406-T432 PolarHBondContact NH1-OG1 2.84Å; R406-T432 PolarHBondContact NH2-OG1 3.42Å; G422-T432 PolarHBondContact N-O 2.83Å; G422-T432 VanDerWaalsContact N-O 3.11Å
433	V	98.3	Very high	95.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.3	-179.5	-176.2	0	0	0	0	108.7	Y419 A420 V421 V446 M449 W490	Y419-V433 HydrophobicContact CD1-CG1 4.29Å; A420-V433 WeakPolarHBondContact O-CA 3.25Å; V421-V433 HydrophobicContact CB-CG2 4.5Å; V421-V433 HydrophobicContact CG1-CG2 4.06Å; V421-V433 HydrophobicContact CG2-CG1 3.96Å; V433-V446 HydrophobicContact CB-CG2 3.63Å; V433-V446 HydrophobicContact CG1-CG2 3.56Å; V433-V446 PolarHBondContact O-N 3.42Å; V433-V446 VanDerWaalsContact O-N 3.09Å; V433-M449 HydrophobicContact CG2-CG 4.28Å; V433-W490 HydrophobicContact CG2-CZ2 3.83Å
434	E	98.3	Very high	95.4	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.4	176.5	-68.9	179	-116.1	0	0	109.7	A403 T404 R406 Y419 A420 W443 S444 Y445	A403-E434 WeakPolarHBondContact CB-OE2 3.35Å; A403-E434 PolarHBondContact N-OE2 2.89Å; T404-E434 WeakPolarHBondContact CB-OE1 3.25Å; T404-E434 PolarHBondContact N-OE1 2.85Å; R406-E434 IonicContact CZ-OE1 3.41Å; R406-E434 VanDerWaalsContact CZ-OE1 3.24Å; R406-E434 IonicContact NE-OE1 2.68Å; R406-E434 PolarHBondContact NE-OE1 3.25Å; R406-E434 IonicContact NH2-OE1 3.17Å; R406-E434 PolarHBondContact NH2-OE1 3.31Å; Y419-E434 CarbonylContact C-O 3.59Å; Y419-E434 WeakPolarHBondContact CA-O 3.42Å; A420-E434 HydrophobicContact CB-CB 4.49Å; A420-E434 PolarHBondContact N-O 2.96Å; A420-E434 PolarHBondContact O-N 3.02Å; E434-W443 HydrophobicContact CB-CE3 3.71Å; E434-W443 HydrophobicContact CB-CZ3 4.2Å; E434-S444 CarbonylContact C-O 3.59Å; E434-S444 WeakPolarHBondContact CA-O 3.45Å; E434-Y445 HydrophobicContact CG-CD1 3.71Å; E434-Y445 HydrophobicContact CG-CE1 3.49Å; E434-Y445 VanDerWaalsContact CG-CE1 3.49Å; E434-Y445 HydrophobicContact CG-CG 4.49Å
435	R	97.8	Very high	95.5	Very high	73 Å²	73	63.2 Å²	63.2	28%	0.275	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.2	177.9	175.8	-173.2	166.6	-125.1	-7.9	109.2	P417 L418 Y419 D437 W443 S444 V446	P417-R435 HydrophobicContact CB-CG 3.85Å; L418-R435 CarbonylContact O-C 3.56Å; L418-R435 WeakPolarHBondContact O-CA 3.37Å; Y419-R435 HydrophobicContact CD1-CB 4Å; Y419-R435 HydrophobicContact CD1-CG 4.24Å; Y419-R435 HydrophobicContact CE1-CB 3.85Å; Y419-R435 HydrophobicContact CE1-CG 3.77Å; Y419-R435 HydrophobicContact CE2-CG 4.34Å; R435-D437 IonicContact NH2-OD2 2.9Å; R435-W443 CarbonylContact O-C 3.54Å; R435-W443 WeakPolarHBondContact O-CA 3.36Å; R435-S444 PolarHBondContact N-O 2.78Å; R435-S444 PolarHBondContact O-N 2.9Å; R435-S444 PolarHBondContact O-OG 3.35Å; R435-V446 HydrophobicContact CB-CG1 3.76Å
436	W	97.4	Very high	95.6	Very high	12 Å²	12	62.6 Å²	62.6	5%	0.045	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.2	170.8	172.1	-106.7	0	0	0	110.3	N400 P417 L418 R441 T442 W443	N400-W436 HydrophobicContact CB-CH2 3.78Å; N400-W436 HydrophobicContact CB-CZ3 3.66Å; P417-W436 WeakPolarHBondContact CA-O 3.33Å; P417-W436 WeakPolarHBondContact CB-O 3.45Å; L418-W436 HydrophobicContact CB-CB 4.05Å; L418-W436 PolarHBondContact N-O 2.85Å; L418-W436 PolarHBondContact O-N 3.02Å; W436-R441 HydrophobicContact CH2-CB 3.76Å; W436-R441 WeakPolarHBondContact CH2-O 3.35Å; W436-R441 HydrophobicContact CZ2-CB 4.06Å; W436-R441 HydrophobicContact CZ2-CG 4.39Å; W436-R441 WeakPolarHBondContact CZ3-O 3.33Å; W436-T442 VanDerWaalsContact CE3-C 3.48Å; W436-T442 VanDerWaalsContact CZ3-N 3.33Å; W436-W443 HydrophobicContact CB-CD2 3.83Å; W436-W443 HydrophobicContact CB-CE3 3.71Å; W436-W443 HydrophobicContact CB-CH2 3.67Å; W436-W443 HydrophobicContact CB-CZ2 3.74Å; W436-W443 HydrophobicContact CB-CZ3 3.64Å; W436-W443 HydrophobicContact CD2-CZ2 4.48Å; W436-W443 AromaticContact CE3-CD1 3.42Å; W436-W443 VanDerWaalsContact CE3-CD1 3.42Å; W436-W443 AromaticContact CE3-CD2 3.97Å; W436-W443 HydrophobicContact CE3-CD2 3.97Å; W436-W443 AromaticContact CE3-CE2 3.69Å; W436-W443 AromaticContact CE3-CG 3.81Å; W436-W443 HydrophobicContact CE3-CG 3.81Å; W436-W443 HydrophobicContact CE3-CZ2 4.44Å; W436-W443 AromaticContact CE3-NE1 3.31Å; W436-W443 VanDerWaalsContact CE3-NE1 3.31Å; W436-W443 HydrophobicContact CG-CZ2 4.24Å; W436-W443 AromaticContact CZ3-CD1 3.71Å; W436-W443 HydrophobicContact CZ3-CG 4.43Å; W436-W443 AromaticContact CZ3-NE1 3.76Å
437	D	94.4	Very high	95.9	Very high	39 Å²	39	61.7 Å²	61.7	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.3	170.5	-170.8	-42.6	0	0	0	109.4	R435 I439 A440 R441 T442	R435-D437 IonicContact NH2-OD2 2.9Å; D437-I439 VanDerWaalsContact C-N 3.27Å; D437-I439 PolarHBondContact O-N 3.42Å; D437-I439 WeakPolarHBondContact OD1-CA 3.26Å; D437-I439 WeakPolarHBondContact OD1-CB 3.33Å; D437-I439 PolarHBondContact OD1-N 3.02Å; D437-A440 HydrophobicContact CB-CB 4Å; D437-A440 PolarHBondContact OD1-N 2.86Å; D437-R441 WeakPolarHBondContact O-CA 3.21Å; D437-R441 PolarHBondContact O-N 3.41Å; D437-T442 PolarHBondContact N-O 2.98Å; D437-T442 PolarHBondContact O-N 3.48Å
438	P	91.9	Very high	96.3	Very high	25 Å²	25	53.7 Å²	53.7	16%	0.162	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.8	-178.8	26.1	-32.9	0	0	0	113.5	M367	M367-P438 HydrophobicContact CE-CB 3.93Å
439	I	91.1	Very high	96.5	Very high	155 Å²	155	51.5 Å²	51.5	80%	0.795	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-53.1	-179.5	-58.3	174.7	0	0	0	109.5	D437 R441	D437-I439 VanDerWaalsContact C-N 3.27Å; D437-I439 PolarHBondContact O-N 3.42Å; D437-I439 WeakPolarHBondContact OD1-CA 3.26Å; D437-I439 WeakPolarHBondContact OD1-CB 3.33Å; D437-I439 PolarHBondContact OD1-N 3.02Å; I439-R441 PolarHBondContact O-N 3.23Å
440	A	93.4	Very high	96.5	Very high	59 Å²	59	53.3 Å²	53.3	49%	0.488	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.4	179.1	0	0	0	0	0	112.6	D437 T442	D437-A440 HydrophobicContact CB-CB 4Å; D437-A440 PolarHBondContact OD1-N 2.86Å; A440-T442 VanDerWaalsContact C-N 3.29Å; A440-T442 PolarHBondContact O-N 2.78Å
441	R	94.1	Very high	96.3	Very high	174 Å²	174	54.4 Å²	54.4	66%	0.657	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	42	-175.4	-59.5	-179.3	172.8	178.3	-1.5	112.3	N400 W436 D437 I439	N400-R441 PolarHBondContact ND2-O 2.81Å; W436-R441 HydrophobicContact CH2-CB 3.76Å; W436-R441 WeakPolarHBondContact CH2-O 3.35Å; W436-R441 HydrophobicContact CZ2-CB 4.06Å; W436-R441 HydrophobicContact CZ2-CG 4.39Å; W436-R441 WeakPolarHBondContact CZ3-O 3.33Å; D437-R441 WeakPolarHBondContact O-CA 3.21Å; D437-R441 PolarHBondContact O-N 3.41Å; I439-R441 PolarHBondContact O-N 3.23Å
442	T	96.4	Very high	96.2	Very high	73 Å²	73	56.7 Å²	56.7	45%	0.448	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.2	-179.5	53.4	0	0	0	0	112	W436 D437 A440	W436-T442 VanDerWaalsContact CE3-C 3.48Å; W436-T442 VanDerWaalsContact CZ3-N 3.33Å; D437-T442 PolarHBondContact N-O 2.98Å; D437-T442 PolarHBondContact O-N 3.48Å; A440-T442 VanDerWaalsContact C-N 3.29Å; A440-T442 PolarHBondContact O-N 2.78Å
443	W	98.1	Very high	96	Very high	36 Å²	36	55 Å²	55	14%	0.136	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	140.1	167.1	-69	94.9	0	0	0	110.3	V374 V386 N400 A401 M402 L418 A420 E434 R435 W436	V374-W443 HydrophobicContact CG1-CH2 4.06Å; V374-W443 HydrophobicContact CG1-CZ2 4.27Å; V386-W443 HydrophobicContact CG2-CZ2 3.86Å; N400-W443 PolarHBondContact O-NE1 2.75Å; A401-W443 VanDerWaalsContact O-CD1 3.23Å; M402-W443 HydrophobicContact CG-CD2 3.85Å; M402-W443 HydrophobicContact CG-CE3 4.15Å; M402-W443 HydrophobicContact CG-CG 4.37Å; M402-W443 HydrophobicContact CG-CH2 4.15Å; M402-W443 HydrophobicContact CG-CZ2 3.87Å; M402-W443 HydrophobicContact CG-CZ3 4.28Å; M402-W443 HydrophobicContact SD-CH2 4.42Å; L418-W443 HydrophobicContact CD2-CH2 4.1Å; A420-W443 HydrophobicContact CB-CH2 4.16Å; A420-W443 HydrophobicContact CB-CZ3 3.84Å; E434-W443 HydrophobicContact CB-CE3 3.71Å; E434-W443 HydrophobicContact CB-CZ3 4.2Å; R435-W443 CarbonylContact O-C 3.54Å; R435-W443 WeakPolarHBondContact O-CA 3.36Å; W436-W443 HydrophobicContact CB-CD2 3.83Å; W436-W443 HydrophobicContact CB-CE3 3.71Å; W436-W443 HydrophobicContact CB-CH2 3.67Å; W436-W443 HydrophobicContact CB-CZ2 3.74Å; W436-W443 HydrophobicContact CB-CZ3 3.64Å; W436-W443 HydrophobicContact CD2-CZ2 4.48Å; W436-W443 AromaticContact CE3-CD1 3.42Å; W436-W443 VanDerWaalsContact CE3-CD1 3.42Å; W436-W443 AromaticContact CE3-CD2 3.97Å; W436-W443 HydrophobicContact CE3-CD2 3.97Å; W436-W443 AromaticContact CE3-CE2 3.69Å; W436-W443 AromaticContact CE3-CG 3.81Å; W436-W443 HydrophobicContact CE3-CG 3.81Å; W436-W443 HydrophobicContact CE3-CZ2 4.44Å; W436-W443 AromaticContact CE3-NE1 3.31Å; W436-W443 VanDerWaalsContact CE3-NE1 3.31Å; W436-W443 HydrophobicContact CG-CZ2 4.24Å; W436-W443 AromaticContact CZ3-CD1 3.71Å; W436-W443 HydrophobicContact CZ3-CG 4.43Å; W436-W443 AromaticContact CZ3-NE1 3.76Å
444	S	97.6	Very high	95.8	Very high	48 Å²	48	55.2 Å²	55.2	34%	0.336	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.3	176.2	58	0	0	0	0	110.4	E434 R435	E434-S444 CarbonylContact C-O 3.59Å; E434-S444 WeakPolarHBondContact CA-O 3.45Å; R435-S444 PolarHBondContact N-O 2.78Å; R435-S444 PolarHBondContact O-N 2.9Å; R435-S444 PolarHBondContact O-OG 3.35Å
445	Y	98.3	Very high	95.6	Very high	123 Å²	123	56.8 Å²	56.8	48%	0.482	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.6	174.6	-71.5	-76.4	0	0	0	111	A403 T404 E434	A403-Y445 HydrophobicContact CB-CE2 4.1Å; A403-Y445 WeakPolarHBondContact CB-OH 3.23Å; T404-Y445 PolarHBondContact OG1-OH 2.76Å; E434-Y445 HydrophobicContact CG-CD1 3.71Å; E434-Y445 HydrophobicContact CG-CE1 3.49Å; E434-Y445 VanDerWaalsContact CG-CE1 3.49Å; E434-Y445 HydrophobicContact CG-CG 4.49Å
446	V	98.1	Very high	95.5	Very high	19 Å²	19	54 Å²	54	12%	0.115	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-179.6	165.7	-59.8	0	0	0	0	109.5	Y419 V433 R435 Y483	Y419-V446 HydrophobicContact CE1-CG1 4.4Å; V433-V446 HydrophobicContact CB-CG2 3.63Å; V433-V446 HydrophobicContact CG1-CG2 3.56Å; V433-V446 PolarHBondContact O-N 3.42Å; V433-V446 VanDerWaalsContact O-N 3.09Å; R435-V446 HydrophobicContact CB-CG1 3.76Å; V446-Y483 HydrophobicContact CB-CE2 4.43Å; V446-Y483 HydrophobicContact CG2-CE2 4.36Å
447	A	98	Very high	95.4	Very high	20 Å²	20	53.8 Å²	53.8	17%	0.165	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-53.8	133.9	179	0	0	0	0	0	111.1	Y483 N488 W490	A447-Y483 HydrophobicContact CB-CE2 4.41Å; A447-N488 WeakPolarHBondContact CB-O 3.49Å; A447-N488 WeakPolarHBondContact CB-OD1 3.34Å; A447-N488 PolarHBondContact N-OD1 3.34Å; A447-W490 VanDerWaalsContact O-CD1 3.26Å; A447-W490 PolarHBondContact O-NE1 3.5Å
448	P	98	Very high	95.5	Very high	71 Å²	71	52.8 Å²	52.8	46%	0.461	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-74.5	154.8	177.9	31.9	-35	0	0	0	110.9	N431	N431-P448 CarbonylContact O-C 3.53Å; N431-P448 WeakPolarHBondContact O-CA 3.24Å
449	M	97.6	Very high	95.8	Very high	3 Å²	3	52 Å²	52	2%	0.015	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-65.1	158.1	168	-64.3	178.1	-65	0	0	110.7	V421 N431 V433 R453 A467 W490	V421-M449 HydrophobicContact CG1-CE 3.73Å; V421-M449 HydrophobicContact CG1-SD 3.57Å; V421-M449 VanDerWaalsContact CG1-SD 3.57Å; N431-M449 HydrophobicContact CB-CB 4.21Å; N431-M449 WeakPolarHBondContact CB-O 3.38Å; N431-M449 PolarHBondContact ND2-O 3.31Å; N431-M449 PolarHBondContact O-N 2.94Å; V433-M449 HydrophobicContact CG2-CG 4.28Å; M449-R453 HydrophobicContact CE-CB 4.14Å; M449-R453 HydrophobicContact CE-CG 4.46Å; M449-A467 HydrophobicContact SD-CB 3.66Å; M449-W490 HydrophobicContact CG-CD2 3.74Å; M449-W490 HydrophobicContact CG-CE3 4.03Å; M449-W490 HydrophobicContact CG-CG 4.35Å; M449-W490 HydrophobicContact CG-CH2 4.03Å; M449-W490 HydrophobicContact CG-CZ2 3.77Å; M449-W490 HydrophobicContact CG-CZ3 4.15Å; M449-W490 HydrophobicContact SD-CH2 4.22Å; M449-W490 HydrophobicContact SD-CZ2 4.42Å; M449-W490 HydrophobicContact SD-CZ3 4.41Å
450	S	95.4	Very high	96	Very high	94 Å²	94	46.8 Å²	46.8	66%	0.657	27%	0.265	S	S	*	.	S	Bend	trans	-72.6	-33.5	176	-48.1	0	0	0	0	111.6	E481	S450-E481 VanDerWaalsContact CB-OE2 3.31Å; S450-E481 WeakPolarHBondContact CB-OE2 3.16Å; S450-E481 PolarHBondContact N-OE2 3.48Å; S450-E481 PolarHBondContact OG-OE2 2.74Å
451	S	92.7	Very high	96	Very high	36 Å²	36	44.8 Å²	44.8	25%	0.252	25%	0.246	S	C	.	.	S	Bend	trans	-112.8	145.6	178.6	-53.8	0	0	0	0	111.7	N431 E481	N431-S451 WeakPolarHBondContact CB-O 3.18Å; S451-E481 PolarHBondContact N-OE1 3.14Å
452	M	94.9	Very high	95.8	Very high	91 Å²	91	40 Å²	40	45%	0.448	25%	0.25	S	S	.	.			trans	-73.4	133.1	170.2	-67	169.8	162.7	0	0	110	Y429 N431 D472 H477	Y429-M452 WeakPolarHBondContact O-CE 3.36Å; Y429-M452 WeakPolarHBondContact O-CG 3.24Å; N431-M452 HydrophobicContact CB-CG 4.08Å; M452-D472 HydrophobicContact CB-CB 4.37Å; M452-H477 PolarHBondContact O-NE2 3.32Å
453	R	94.8	Very high	95.7	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.008	24%	0.241	C	C	.	.			trans	-142.6	113.8	-172.6	-63.8	176.5	-172.4	-93.4	0.6	111.3	G423 L430 M449 A456 G469 S479 E481	G423-R453 PolarHBondContact N-O 3.16Å; L430-R453 PolarHBondContact O-N 3.48Å; M449-R453 HydrophobicContact CE-CB 4.14Å; M449-R453 HydrophobicContact CE-CG 4.46Å; R453-A456 HydrophobicContact CB-CB 4.01Å; R453-G469 PolarHBondContact NH1-O 2.91Å; R453-S479 PolarHBondContact NH1-O 3.2Å; R453-S479 PolarHBondContact NH1-OG 2.79Å; R453-S479 PolarHBondContact NH2-OG 3.48Å; R453-E481 IonicContact CZ-OE1 3.58Å; R453-E481 VanDerWaalsContact CZ-OE1 3.3Å; R453-E481 IonicContact NE-OE1 3.88Å; R453-E481 PolarHBondContact NE-OE1 3.02Å; R453-E481 IonicContact NH2-OE1 3.46Å; R453-E481 PolarHBondContact NH2-OE1 3.05Å
454	S	94.4	Very high	95.6	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.042	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-107.1	152.1	161.3	-175.9	0	0	0	0	110.1	A456 G470 R471	S454-A456 PolarHBondContact O-N 2.82Å; S454-A456 VanDerWaalsContact O-N 3.14Å; S454-G470 CarbonylContact O-C 3.58Å; S454-G470 WeakPolarHBondContact O-CA 3.49Å; S454-R471 PolarHBondContact N-O 3.16Å; S454-R471 PolarHBondContact O-N 2.88Å
455	T	93.6	Very high	95.6	Very high	34 Å²	34	38.2 Å²	38.2	21%	0.209	24%	0.236	C	C	.	.	S	Bend	trans	51.9	31.7	-176.4	68	0	0	0	0	113.9	G408 G502	G408-T455 WeakPolarHBondContact O-CA 3.34Å; G408-T455 PolarHBondContact O-N 2.89Å; T455-G502 WeakPolarHBondContact O-CA 3.19Å; T455-G502 PolarHBondContact O-N 3.01Å; T455-G502 PolarHBondContact OG1-N 3.02Å
456	A	94.9	Very high	95.6	Very high	15 Å²	15	33 Å²	33	12%	0.124	22%	0.215	C	C	.	.			trans	-78.6	146.8	169.5	0	0	0	0	0	110.3	R453 S454	R453-A456 HydrophobicContact CB-CB 4.01Å; S454-A456 PolarHBondContact O-N 2.82Å; S454-A456 VanDerWaalsContact O-N 3.14Å
457	G	95.8	Very high	95.5	Very high	6 Å²	6	32.1 Å²	32.1	6%	0.062	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.5	170.3	0	0	0	0	0	110	V468	G457-V468 PolarHBondContact N-O 3.28Å; G457-V468 PolarHBondContact O-N 2.97Å
458	V	97.2	Very high	95.5	Very high	19 Å²	19	31.1 Å²	31.1	12%	0.115	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.9	-177.1	176.1	0	0	0	0	109.4	A412 V421 L465 Y466 A467	A412-V458 HydrophobicContact CB-CG1 4.02Å; V421-V458 HydrophobicContact CB-CG2 4Å; V421-V458 HydrophobicContact CG1-CG2 4.12Å; V421-V458 HydrophobicContact CG2-CG1 4.04Å; V421-V458 HydrophobicContact CG2-CG2 4.37Å; V458-L465 HydrophobicContact CG1-CD1 3.46Å; V458-L465 VanDerWaalsContact CG1-CD1 3.46Å; V458-L465 HydrophobicContact CG1-CG 4.12Å; V458-Y466 VanDerWaalsContact CA-O 3.28Å; V458-Y466 WeakPolarHBondContact CA-O 3.35Å; V458-A467 HydrophobicContact CG2-CB 4.48Å
459	A	96.7	Very high	95.4	Very high	9 Å²	9	27.8 Å²	27.8	7%	0.074	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	164.1	177.4	0	0	0	0	0	111.7	Y466 V505 V507 L512	A459-Y466 PolarHBondContact N-O 3.14Å; A459-Y466 VanDerWaalsContact N-O 3.16Å; A459-Y466 PolarHBondContact O-N 2.76Å; A459-V505 HydrophobicContact CB-CG1 3.88Å; A459-V507 HydrophobicContact CB-CG2 3.8Å; A459-L512 HydrophobicContact CB-CD1 3.75Å
460	V	96.3	Very high	95.2	Very high	44 Å²	44	27.6 Å²	27.6	27%	0.267	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.9	-178.7	170.9	0	0	0	0	109.6	A412 L414 R464 L465	A412-V460 HydrophobicContact CB-CG2 3.83Å; L414-V460 HydrophobicContact CB-CG1 4.44Å; L414-V460 HydrophobicContact CB-CG2 3.9Å; L414-V460 HydrophobicContact CD1-CG1 3.57Å; L414-V460 HydrophobicContact CD1-CG2 4.38Å; V460-R464 WeakPolarHBondContact CA-O 3.28Å; V460-L465 HydrophobicContact CG2-CD1 3.64Å
461	L	94.1	Very high	95	Very high	18 Å²	18	26 Å²	26	9%	0.094	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	131.1	179.2	174	60.7	0	0	0	109	G463 R464 Y466 V507 G510 L512 P538	L461-G463 VanDerWaalsContact C-N 3.31Å; L461-G463 PolarHBondContact O-N 2.84Å; L461-R464 PolarHBondContact N-O 3.18Å; L461-R464 PolarHBondContact O-N 2.73Å; L461-Y466 HydrophobicContact CB-CD2 4.1Å; L461-Y466 HydrophobicContact CB-CE2 3.73Å; L461-Y466 HydrophobicContact CG-CE2 4.44Å; L461-Y466 WeakPolarHBondContact O-CE2 3.09Å; L461-V507 HydrophobicContact CB-CG1 4.29Å; L461-V507 HydrophobicContact CB-CG2 3.96Å; L461-V507 HydrophobicContact CD1-CG1 3.67Å; L461-V507 HydrophobicContact CG-CG1 4.43Å; L461-G510 WeakPolarHBondContact CD1-O 3.2Å; L461-L512 HydrophobicContact CD2-CB 4.17Å; L461-P538 HydrophobicContact CD2-CB 4.43Å; L461-P538 HydrophobicContact CD2-CG 3.91Å
462	G	89.6	Confident	94.7	Very high	72 Å²	72	26.6 Å²	26.6	74%	0.742	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	40.2	175.7	0	0	0	0	0	114.9	R464	G462-R464 PolarHBondContact O-N 2.77Å
463	G	92.8	Very high	94.1	Very high	25 Å²	25	23.4 Å²	23.4	26%	0.258	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	14.7	-179.8	0	0	0	0	0	114.7	L414 L461	L414-G463 VanDerWaalsContact CD1-C 3.44Å; L414-G463 WeakPolarHBondContact CD1-O 3.44Å; L461-G463 VanDerWaalsContact C-N 3.31Å; L461-G463 PolarHBondContact O-N 2.84Å
464	R	96.1	Very high	93.5	Very high	96 Å²	96	27.1 Å²	27.1	36%	0.362	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.2	179.7	-64.2	172.7	-177.6	-84.5	-15.1	110.9	V460 L461 G462 Y466 D484	V460-R464 WeakPolarHBondContact CA-O 3.28Å; L461-R464 PolarHBondContact N-O 3.18Å; L461-R464 PolarHBondContact O-N 2.73Å; G462-R464 PolarHBondContact O-N 2.77Å; R464-Y466 HydrophobicContact CB-CE2 3.79Å; R464-D484 IonicContact CZ-OD2 3.87Å; R464-D484 VanDerWaalsContact NH1-CB 3.32Å; R464-D484 VanDerWaalsContact NH1-CG 3.28Å; R464-D484 IonicContact NH1-OD2 3.5Å; R464-D484 PolarHBondContact NH1-OD2 3.29Å; R464-D484 IonicContact NH2-OD2 3.69Å; R464-D484 PolarHBondContact NH2-OD2 3.08Å
465	L	97.7	Very high	93.1	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.7	178.7	-179	73.3	0	0	0	109.7	A412 L414 Y419 V421 V458 V460 C482 Y483 W490	A412-L465 HydrophobicContact CB-CD1 3.72Å; L414-L465 HydrophobicContact CD2-CB 4.04Å; Y419-L465 HydrophobicContact CD1-CD2 4.27Å; Y419-L465 HydrophobicContact CG-CD2 4.11Å; V421-L465 HydrophobicContact CG2-CD2 3.71Å; V458-L465 HydrophobicContact CG1-CD1 3.46Å; V458-L465 VanDerWaalsContact CG1-CD1 3.46Å; V458-L465 HydrophobicContact CG1-CG 4.12Å; V460-L465 HydrophobicContact CG2-CD1 3.64Å; L465-C482 CarbonylContact O-C 3.54Å; L465-C482 WeakPolarHBondContact O-CA 3.49Å; L465-Y483 HydrophobicContact CB-CD1 4.29Å; L465-Y483 HydrophobicContact CD2-CD1 4.47Å; L465-Y483 PolarHBondContact N-O 2.86Å; L465-Y483 VanDerWaalsContact N-O 3.14Å; L465-Y483 PolarHBondContact O-N 3.41Å; L465-W490 HydrophobicContact CD2-CH2 4.08Å; L465-W490 HydrophobicContact CD2-CZ2 4.35Å; L465-W490 HydrophobicContact CG-CH2 4.34Å
466	Y	98	Very high	93	Very high	13 Å²	13	28.4 Å²	28.4	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.7	-177.8	-66.4	-101.8	0	0	0	109.8	V458 A459 L461 R464 I480 E481 C482 L493 L512 Y536	V458-Y466 VanDerWaalsContact CA-O 3.28Å; V458-Y466 WeakPolarHBondContact CA-O 3.35Å; A459-Y466 PolarHBondContact N-O 3.14Å; A459-Y466 VanDerWaalsContact N-O 3.16Å; A459-Y466 PolarHBondContact O-N 2.76Å; L461-Y466 HydrophobicContact CB-CD2 4.1Å; L461-Y466 HydrophobicContact CB-CE2 3.73Å; L461-Y466 HydrophobicContact CG-CE2 4.44Å; L461-Y466 WeakPolarHBondContact O-CE2 3.09Å; R464-Y466 HydrophobicContact CB-CE2 3.79Å; Y466-I480 HydrophobicContact CD1-CD1 3.78Å; Y466-I480 HydrophobicContact CD1-CG1 4.32Å; Y466-E481 WeakPolarHBondContact CA-O 3.45Å; Y466-C482 HydrophobicContact CD1-CB 3.99Å; Y466-C482 HydrophobicContact CE1-CB 3.94Å; Y466-L493 HydrophobicContact CD1-CD1 3.88Å; Y466-L493 HydrophobicContact CE1-CD1 3.47Å; Y466-L493 VanDerWaalsContact CE1-CD1 3.47Å; Y466-L512 HydrophobicContact CD1-CD2 4.24Å; Y466-L512 HydrophobicContact CG-CD2 4.21Å; Y466-Y536 HydrophobicContact CE1-CE1 4.12Å
467	A	97.8	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.6	172.8	0	0	0	0	0	109.2	V421 M449 V458 I480 E481 W490	V421-A467 HydrophobicContact CG1-CB 4.27Å; M449-A467 HydrophobicContact SD-CB 3.66Å; V458-A467 HydrophobicContact CG2-CB 4.48Å; A467-I480 WeakPolarHBondContact O-CA 3.43Å; A467-E481 PolarHBondContact N-O 3.06Å; A467-E481 PolarHBondContact O-N 2.86Å; A467-W490 HydrophobicContact CB-CH2 4.05Å; A467-W490 HydrophobicContact CB-CZ3 3.8Å
468	V	97.4	Very high	92.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.8	-168.9	-166.2	0	0	0	0	110.4	G457 I480 M496 V503 V505 L512 A514 W543	G457-V468 PolarHBondContact N-O 3.28Å; G457-V468 PolarHBondContact O-N 2.97Å; V468-I480 HydrophobicContact CG1-CD1 4.5Å; V468-I480 HydrophobicContact CG2-CD1 3.71Å; V468-I480 HydrophobicContact CG2-CG1 4.07Å; V468-M496 HydrophobicContact CG1-CE 3.75Å; V468-M496 HydrophobicContact CG1-CG 4.35Å; V468-M496 HydrophobicContact CG1-SD 3.46Å; V468-M496 WeakPolarHBondContact CG1-SD 3.42Å; V468-V503 WeakPolarHBondContact O-CG1 3.37Å; V468-V505 HydrophobicContact CB-CG2 3.91Å; V468-V505 HydrophobicContact CG1-CG2 4.39Å; V468-V505 HydrophobicContact CG2-CG1 3.97Å; V468-V505 HydrophobicContact CG2-CG2 4.14Å; V468-L512 HydrophobicContact CG2-CD2 3.73Å; V468-A514 HydrophobicContact CG1-CB 4.47Å; V468-W543 HydrophobicContact CG1-CH2 3.97Å; V468-W543 HydrophobicContact CG1-CZ2 4.17Å
469	G	95.4	Very high	92.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.204	C	C	.	.			trans	63.1	-137.4	175.2	0	0	0	0	0	113.1	R453 H477 S479 R500	R453-G469 PolarHBondContact NH1-O 2.91Å; G469-H477 WeakPolarHBondContact CA-O 3.4Å; G469-S479 PolarHBondContact N-O 3.45Å; G469-S479 VanDerWaalsContact N-O 3.15Å; G469-R500 WeakPolarHBondContact CA-O 3.27Å
470	G	93.4	Very high	92.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.2	C	C	.	.			trans	87.2	-169.9	-173.1	0	0	0	0	0	112.9	S454 C476 H477 R500	S454-G470 CarbonylContact O-C 3.58Å; S454-G470 WeakPolarHBondContact O-CA 3.49Å; G470-C476 CarbonylContact O-C 3.58Å; G470-C476 WeakPolarHBondContact O-CA 3.33Å; G470-H477 PolarHBondContact O-CD2 2.84Å; G470-H477 PolarHBondContact O-N 3.37Å; G470-R500 PolarHBondContact N-O 2.87Å
471	R	90.6	Very high	92.8	Very high	59 Å²	59	32 Å²	32	22%	0.223	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-137.6	149.2	-179	62.8	179.2	-67.9	156.7	4.9	112.7	Y429 S454 G473 V475	Y429-R471 WeakPolarHBondContact CD1-O 3.21Å; Y429-R471 HydrophobicContact CE1-CG 4.09Å; S454-R471 PolarHBondContact N-O 3.16Å; S454-R471 PolarHBondContact O-N 2.88Å; R471-G473 PolarHBondContact NH2-O 2.87Å; R471-V475 WeakPolarHBondContact CA-O 3.31Å; R471-V475 WeakPolarHBondContact CB-O 3.29Å
472	D	88.1	Confident	92.9	Very high	49 Å²	49	31.4 Å²	31.4	26%	0.262	19%	0.185	S	C	.	.			trans	-103.9	6.5	175.7	61.8	16.6	0	0	0	113.6	Y429 M452 S474 V475 H477	Y429-D472 WeakPolarHBondContact CD2-O 3.42Å; M452-D472 HydrophobicContact CB-CB 4.37Å; D472-S474 WeakPolarHBondContact OD1-CA 3.32Å; D472-S474 WeakPolarHBondContact OD1-CB 3.32Å; D472-S474 PolarHBondContact OD1-N 2.86Å; D472-S474 PolarHBondContact OD1-OG 3.06Å; D472-V475 PolarHBondContact N-O 3.05Å; D472-V475 PolarHBondContact OD1-N 2.82Å; D472-H477 WeakPolarHBondContact CB-NE2 3.36Å; D472-H477 IonicContact OD2-CE1 2.94Å; D472-H477 PolarHBondContact OD2-CE1 2.83Å; D472-H477 IonicContact OD2-NE2 3.92Å; D472-H477 PolarHBondContact OD2-NE2 3.46Å
473	G	80.4	Confident	93.3	Very high	24 Å²	24	28.2 Å²	28.2	25%	0.247	15%	0.151	C	C	.	.	S	Bend	trans	100	-28.6	-176.1	0	0	0	0	0	114	Y429 R471	Y429-G473 WeakPolarHBondContact OH-CA 3.28Å; R471-G473 PolarHBondContact NH2-O 2.87Å
474	S	82.6	Confident	93.5	Very high	80 Å²	80	28 Å²	28	56%	0.559	14%	0.143	S	C	*	.	S	Bend	trans	-96.1	-47.4	177.5	72.1	0	0	0	0	112.2	D472	D472-S474 WeakPolarHBondContact OD1-CA 3.32Å; D472-S474 WeakPolarHBondContact OD1-CB 3.32Å; D472-S474 PolarHBondContact OD1-N 2.86Å; D472-S474 PolarHBondContact OD1-OG 3.06Å
475	V	86.3	Confident	93.5	Very high	66 Å²	66	24.7 Å²	24.7	40%	0.4	13%	0.134	S	C	.	.			trans	-139.4	159.2	-173.6	-63.6	0	0	0	0	112	R471 D472	R471-V475 WeakPolarHBondContact CA-O 3.31Å; R471-V475 WeakPolarHBondContact CB-O 3.29Å; D472-V475 PolarHBondContact N-O 3.05Å; D472-V475 PolarHBondContact OD1-N 2.82Å
476	C	90.8	Very high	93.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.014	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-82	141.6	164.9	-64.6	0	0	0	0	109.9	G470 R499 H518	G470-C476 CarbonylContact O-C 3.58Å; G470-C476 WeakPolarHBondContact O-CA 3.33Å; C476-R499 HydrophobicContact CB-CB 3.96Å; C476-R499 VanDerWaalsContact O-CD 3.25Å; C476-R499 WeakPolarHBondContact O-CD 3.45Å; C476-R499 WeakPolarHBondContact O-CG 3.38Å; C476-R499 PolarHBondContact O-NH1 3.4Å; C476-H518 PolarHBondContact SG-O 2.93Å
477	H	91.9	Very high	93.3	Very high	18 Å²	18	34.7 Å²	34.7	8%	0.083	19%	0.187	C	C	.	.			trans	-90.7	145.6	178.9	-61.8	-71.3	0	0	0	111.2	M452 G469 G470 D472 R500	M452-H477 PolarHBondContact O-NE2 3.32Å; G469-H477 WeakPolarHBondContact CA-O 3.4Å; G470-H477 PolarHBondContact O-CD2 2.84Å; G470-H477 PolarHBondContact O-N 3.37Å; D472-H477 WeakPolarHBondContact CB-NE2 3.36Å; D472-H477 IonicContact OD2-CE1 2.94Å; D472-H477 PolarHBondContact OD2-CE1 2.83Å; D472-H477 IonicContact OD2-NE2 3.92Å; D472-H477 PolarHBondContact OD2-NE2 3.46Å; H477-R500 PolarHBondContact O-N 3.19Å
478	R	94	Very high	93.3	Very high	125 Å²	125	38.3 Å²	38.3	47%	0.472	21%	0.206	S	C	.	.			trans	-102	-8.9	161.5	66.6	172.8	-177.4	-174.3	1.7	112.6	P495 M496 R498 R499	R478-P495 HydrophobicContact CG-CB 3.97Å; R478-P495 WeakPolarHBondContact O-CA 3.49Å; R478-M496 HydrophobicContact CB-CB 4.37Å; R478-M496 WeakPolarHBondContact CD-O 3.47Å; R478-M496 PolarHBondContact O-N 3.45Å; R478-R498 WeakPolarHBondContact CB-O 3.48Å; R478-R499 HydrophobicContact CB-CG 4.08Å
479	S	95.9	Very high	93.3	Very high	24 Å²	24	44.8 Å²	44.8	17%	0.168	23%	0.234	C	C	.	.			trans	-73.8	150.8	-178.3	51.3	0	0	0	0	111.1	R453 G469	R453-S479 PolarHBondContact NH1-O 3.2Å; R453-S479 PolarHBondContact NH1-OG 2.79Å; R453-S479 PolarHBondContact NH2-OG 3.48Å; G469-S479 PolarHBondContact N-O 3.45Å; G469-S479 VanDerWaalsContact N-O 3.15Å
480	I	97.1	Very high	93.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.4	173.4	172.8	168.1	0	0	0	108.2	Y466 A467 V468 L492 L493 A494 L512 W543	Y466-I480 HydrophobicContact CD1-CD1 3.78Å; Y466-I480 HydrophobicContact CD1-CG1 4.32Å; A467-I480 WeakPolarHBondContact O-CA 3.43Å; V468-I480 HydrophobicContact CG1-CD1 4.5Å; V468-I480 HydrophobicContact CG2-CD1 3.71Å; V468-I480 HydrophobicContact CG2-CG1 4.07Å; I480-L492 WeakPolarHBondContact O-CD1 3.43Å; I480-L493 HydrophobicContact CG2-CB 3.83Å; I480-L493 PolarHBondContact O-N 3.19Å; I480-L493 VanDerWaalsContact O-N 3.12Å; I480-A494 WeakPolarHBondContact CG2-O 3.41Å; I480-L512 HydrophobicContact CD1-CD2 3.58Å; I480-W543 HydrophobicContact CD1-CZ2 3.86Å; I480-W543 HydrophobicContact CG2-CZ2 4.35Å
481	E	97.7	Very high	93.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.7	174.3	-65.4	177.2	-113.9	0	0	109.2	S450 S451 R453 Y466 A467 W490 S491 L492	S450-E481 VanDerWaalsContact CB-OE2 3.31Å; S450-E481 WeakPolarHBondContact CB-OE2 3.16Å; S450-E481 PolarHBondContact N-OE2 3.48Å; S450-E481 PolarHBondContact OG-OE2 2.74Å; S451-E481 PolarHBondContact N-OE1 3.14Å; R453-E481 IonicContact CZ-OE1 3.58Å; R453-E481 VanDerWaalsContact CZ-OE1 3.3Å; R453-E481 IonicContact NE-OE1 3.88Å; R453-E481 PolarHBondContact NE-OE1 3.02Å; R453-E481 IonicContact NH2-OE1 3.46Å; R453-E481 PolarHBondContact NH2-OE1 3.05Å; Y466-E481 WeakPolarHBondContact CA-O 3.45Å; A467-E481 PolarHBondContact N-O 3.06Å; A467-E481 PolarHBondContact O-N 2.86Å; E481-W490 HydrophobicContact CB-CE3 3.59Å; E481-W490 HydrophobicContact CB-CZ3 4.1Å; E481-S491 CarbonylContact C-O 3.59Å; E481-S491 WeakPolarHBondContact CA-O 3.45Å; E481-L492 HydrophobicContact CG-CD1 4.11Å
482	C	97.7	Very high	93.9	Very high	7 Å²	7	52.2 Å²	52.2	5%	0.047	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127	-180	178.9	0	0	0	0	110.1	L465 Y466 W490 S491 L493	L465-C482 CarbonylContact O-C 3.54Å; L465-C482 WeakPolarHBondContact O-CA 3.49Å; Y466-C482 HydrophobicContact CD1-CB 3.99Å; Y466-C482 HydrophobicContact CE1-CB 3.94Å; C482-W490 CarbonylContact O-C 3.59Å; C482-W490 VanDerWaalsContact O-CA 3.32Å; C482-W490 WeakPolarHBondContact O-CA 3.47Å; C482-S491 PolarHBondContact N-O 2.92Å; C482-S491 PolarHBondContact O-N 2.77Å; C482-L493 HydrophobicContact CB-CD1 3.42Å; C482-L493 VanDerWaalsContact CB-CD1 3.42Å; C482-L493 HydrophobicContact CB-CG 3.96Å
483	Y	98.3	Very high	94.3	Very high	5 Å²	5	51.6 Å²	51.6	2%	0.02	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.8	178.3	176.2	-105.4	0	0	0	111	Y419 V446 A447 L465 P485 N488 K489 W490	Y419-Y483 AromaticContact CE1-CE1 3.88Å; Y419-Y483 HydrophobicContact CE1-CE1 3.88Å; V446-Y483 HydrophobicContact CB-CE2 4.43Å; V446-Y483 HydrophobicContact CG2-CE2 4.36Å; A447-Y483 HydrophobicContact CB-CE2 4.41Å; L465-Y483 HydrophobicContact CB-CD1 4.29Å; L465-Y483 HydrophobicContact CD2-CD1 4.47Å; L465-Y483 PolarHBondContact N-O 2.86Å; L465-Y483 VanDerWaalsContact N-O 3.14Å; L465-Y483 PolarHBondContact O-N 3.41Å; Y483-P485 HydrophobicContact CE1-CB 3.99Å; Y483-N488 WeakPolarHBondContact CE2-OD1 3.42Å; Y483-N488 PolarHBondContact OH-OD1 3.49Å; Y483-K489 WeakPolarHBondContact CA-O 3.36Å; Y483-W490 AromaticContact CD2-CD1 3.76Å; Y483-W490 HydrophobicContact CD2-CD2 4.13Å; Y483-W490 AromaticContact CD2-CE2 3.7Å; Y483-W490 HydrophobicContact CD2-CG 4.17Å; Y483-W490 HydrophobicContact CD2-CZ2 4.2Å; Y483-W490 AromaticContact CD2-NE1 3.44Å; Y483-W490 HydrophobicContact CG-CD2 4.31Å; Y483-W490 AromaticContact CG-CE2 3.89Å; Y483-W490 HydrophobicContact CG-CH2 4.49Å; Y483-W490 AromaticContact CG-CZ2 3.97Å; Y483-W490 HydrophobicContact CG-CZ2 3.97Å
484	D	96.8	Very high	95.1	Very high	19 Å²	19	51.5 Å²	51.5	10%	0.102	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114	171.4	-168.6	-29.4	0	0	0	109.6	R464 H486 T487 N488 K489	R464-D484 IonicContact CZ-OD2 3.87Å; R464-D484 VanDerWaalsContact NH1-CB 3.32Å; R464-D484 VanDerWaalsContact NH1-CG 3.28Å; R464-D484 IonicContact NH1-OD2 3.5Å; R464-D484 PolarHBondContact NH1-OD2 3.29Å; R464-D484 IonicContact NH2-OD2 3.69Å; R464-D484 PolarHBondContact NH2-OD2 3.08Å; D484-H486 PolarHBondContact O-N 2.85Å; D484-H486 WeakPolarHBondContact OD1-CB 3.43Å; D484-H486 IonicContact OD1-CG 2.61Å; D484-H486 PolarHBondContact OD1-N 2.77Å; D484-H486 IonicContact OD1-ND1 2.71Å; D484-H486 PolarHBondContact OD1-ND1 2.78Å; D484-T487 WeakPolarHBondContact CB-OG1 3.25Å; D484-T487 PolarHBondContact O-N 2.92Å; D484-N488 WeakPolarHBondContact O-CA 3.43Å; D484-N488 PolarHBondContact O-N 3.42Å; D484-K489 PolarHBondContact N-O 3.4Å; D484-K489 PolarHBondContact O-N 2.81Å
485	P	95.7	Very high	95.8	Very high	27 Å²	27	50.7 Å²	50.7	18%	0.175	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.7	-179.8	29.3	-36.5	0	0	0	112.8	L414 Y483	L414-P485 HydrophobicContact CD2-CB 4.11Å; L414-P485 HydrophobicContact CD2-CG 3.85Å; Y483-P485 HydrophobicContact CE1-CB 3.99Å
486	H	94.7	Very high	96.2	Very high	146 Å²	146	47.6 Å²	47.6	68%	0.676	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-33.3	-177.3	-59.1	90	0	0	0	112.2	E415 D484	E415-H486 IonicContact OE1-CE1 3.4Å; E415-H486 IonicContact OE2-CE1 3.88Å; D484-H486 PolarHBondContact O-N 2.85Å; D484-H486 WeakPolarHBondContact OD1-CB 3.43Å; D484-H486 IonicContact OD1-CG 2.61Å; D484-H486 PolarHBondContact OD1-N 2.77Å; D484-H486 IonicContact OD1-ND1 2.71Å; D484-H486 PolarHBondContact OD1-ND1 2.78Å
487	T	96.4	Very high	96.3	Very high	77 Å²	77	52.3 Å²	52.3	47%	0.472	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-8.8	179	68	0	0	0	0	113.1	D484 K489	D484-T487 WeakPolarHBondContact CB-OG1 3.25Å; D484-T487 PolarHBondContact O-N 2.92Å; T487-K489 VanDerWaalsContact C-N 3.31Å; T487-K489 WeakPolarHBondContact O-CG 3.47Å; T487-K489 PolarHBondContact O-N 3.5Å
488	N	97.1	Very high	96.1	Very high	77 Å²	77	58 Å²	58	41%	0.412	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	51.1	-173.8	-173.6	26.5	0	0	0	111.3	A447 Y483 D484	A447-N488 WeakPolarHBondContact CB-O 3.49Å; A447-N488 WeakPolarHBondContact CB-OD1 3.34Å; A447-N488 PolarHBondContact N-OD1 3.34Å; Y483-N488 WeakPolarHBondContact CE2-OD1 3.42Å; Y483-N488 PolarHBondContact OH-OD1 3.49Å; D484-N488 WeakPolarHBondContact O-CA 3.43Å; D484-N488 PolarHBondContact O-N 3.42Å
489	K	97.7	Very high	95.9	Very high	136 Å²	136	56.8 Å²	56.8	59%	0.591	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	144.7	-177.9	-73.7	178.6	-176.8	-178.3	0	111.7	Y483 D484 T487	Y483-K489 WeakPolarHBondContact CA-O 3.36Å; D484-K489 PolarHBondContact N-O 3.4Å; D484-K489 PolarHBondContact O-N 2.81Å; T487-K489 VanDerWaalsContact C-N 3.31Å; T487-K489 WeakPolarHBondContact O-CG 3.47Å; T487-K489 PolarHBondContact O-N 3.5Å
490	W	98.2	Very high	95.7	Very high	26 Å²	26	55.6 Å²	55.6	10%	0.098	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139.8	168.1	-69.7	88.5	0	0	0	110.2	V421 V433 A447 M449 L465 A467 E481 C482 Y483	V421-W490 HydrophobicContact CG1-CH2 4.24Å; V421-W490 HydrophobicContact CG1-CZ2 4.5Å; V433-W490 HydrophobicContact CG2-CZ2 3.83Å; A447-W490 VanDerWaalsContact O-CD1 3.26Å; A447-W490 PolarHBondContact O-NE1 3.5Å; M449-W490 HydrophobicContact CG-CD2 3.74Å; M449-W490 HydrophobicContact CG-CE3 4.03Å; M449-W490 HydrophobicContact CG-CG 4.35Å; M449-W490 HydrophobicContact CG-CH2 4.03Å; M449-W490 HydrophobicContact CG-CZ2 3.77Å; M449-W490 HydrophobicContact CG-CZ3 4.15Å; M449-W490 HydrophobicContact SD-CH2 4.22Å; M449-W490 HydrophobicContact SD-CZ2 4.42Å; M449-W490 HydrophobicContact SD-CZ3 4.41Å; L465-W490 HydrophobicContact CD2-CH2 4.08Å; L465-W490 HydrophobicContact CD2-CZ2 4.35Å; L465-W490 HydrophobicContact CG-CH2 4.34Å; A467-W490 HydrophobicContact CB-CH2 4.05Å; A467-W490 HydrophobicContact CB-CZ3 3.8Å; E481-W490 HydrophobicContact CB-CE3 3.59Å; E481-W490 HydrophobicContact CB-CZ3 4.1Å; C482-W490 CarbonylContact O-C 3.59Å; C482-W490 VanDerWaalsContact O-CA 3.32Å; C482-W490 WeakPolarHBondContact O-CA 3.47Å; Y483-W490 AromaticContact CD2-CD1 3.76Å; Y483-W490 HydrophobicContact CD2-CD2 4.13Å; Y483-W490 AromaticContact CD2-CE2 3.7Å; Y483-W490 HydrophobicContact CD2-CG 4.17Å; Y483-W490 HydrophobicContact CD2-CZ2 4.2Å; Y483-W490 AromaticContact CD2-NE1 3.44Å; Y483-W490 HydrophobicContact CG-CD2 4.31Å; Y483-W490 AromaticContact CG-CE2 3.89Å; Y483-W490 HydrophobicContact CG-CH2 4.49Å; Y483-W490 AromaticContact CG-CZ2 3.97Å; Y483-W490 HydrophobicContact CG-CZ2 3.97Å
491	S	97.3	Very high	95.4	Very high	66 Å²	66	55.6 Å²	55.6	46%	0.462	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.1	174.1	-57.8	0	0	0	0	109.9	E481 C482	E481-S491 CarbonylContact C-O 3.59Å; E481-S491 WeakPolarHBondContact CA-O 3.45Å; C482-S491 PolarHBondContact N-O 2.92Å; C482-S491 PolarHBondContact O-N 2.77Å
492	L	97.1	Very high	95	Very high	122 Å²	122	56.1 Å²	56.1	64%	0.639	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	135.7	174.1	-168.9	74.1	0	0	0	109.6	I480 E481	I480-L492 WeakPolarHBondContact O-CD1 3.43Å; E481-L492 HydrophobicContact CG-CD1 4.11Å
493	L	97	Very high	94.9	Very high	36 Å²	36	56.3 Å²	56.3	19%	0.188	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	176.6	177.1	-61.3	177.4	0	0	0	111.3	Y466 I480 C482 Y536	Y466-L493 HydrophobicContact CD1-CD1 3.88Å; Y466-L493 HydrophobicContact CE1-CD1 3.47Å; Y466-L493 VanDerWaalsContact CE1-CD1 3.47Å; I480-L493 HydrophobicContact CG2-CB 3.83Å; I480-L493 PolarHBondContact O-N 3.19Å; I480-L493 VanDerWaalsContact O-N 3.12Å; C482-L493 HydrophobicContact CB-CD1 3.42Å; C482-L493 VanDerWaalsContact CB-CD1 3.42Å; C482-L493 HydrophobicContact CB-CG 3.96Å; L493-Y536 HydrophobicContact CD1-CE1 4.36Å; L493-Y536 WeakPolarHBondContact CD1-OH 3.37Å
494	A	96.6	Very high	94.7	Very high	22 Å²	22	56.1 Å²	56.1	18%	0.182	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-54.4	128.5	178.6	0	0	0	0	0	111.5	I480 D541 W543	I480-A494 WeakPolarHBondContact CG2-O 3.41Å; A494-D541 WeakPolarHBondContact CB-O 3.47Å; A494-D541 WeakPolarHBondContact CB-OD1 3.21Å; A494-D541 PolarHBondContact N-OD1 3.15Å; A494-D541 PolarHBondContact N-OD2 3.07Å; A494-W543 PolarHBondContact O-NE1 2.88Å
495	P	96.9	Very high	94.7	Very high	63 Å²	63	56 Å²	56	41%	0.409	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-72	152.4	-177.4	30.1	-34.9	0	0	0	111.7	R478	R478-P495 HydrophobicContact CG-CB 3.97Å; R478-P495 WeakPolarHBondContact O-CA 3.49Å
496	M	95.6	Very high	94.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-60.5	158.5	168.3	-65.8	179.6	-63.9	0	0	111.2	V468 R478 R498 R500 A514 W543	V468-M496 HydrophobicContact CG1-CE 3.75Å; V468-M496 HydrophobicContact CG1-CG 4.35Å; V468-M496 HydrophobicContact CG1-SD 3.46Å; V468-M496 WeakPolarHBondContact CG1-SD 3.42Å; R478-M496 HydrophobicContact CB-CB 4.37Å; R478-M496 WeakPolarHBondContact CD-O 3.47Å; R478-M496 PolarHBondContact O-N 3.45Å; M496-R498 VanDerWaalsContact C-N 3.32Å; M496-R498 WeakPolarHBondContact CB-O 3.44Å; M496-R498 PolarHBondContact O-N 3.28Å; M496-R500 HydrophobicContact CE-CB 4.13Å; M496-R500 HydrophobicContact CE-CG 4.14Å; M496-R500 HydrophobicContact SD-CG 4.39Å; M496-A514 HydrophobicContact SD-CB 3.68Å; M496-W543 HydrophobicContact CG-CD2 3.82Å; M496-W543 VanDerWaalsContact CG-CE2 3.47Å; M496-W543 HydrophobicContact CG-CE3 4.12Å; M496-W543 HydrophobicContact CG-CG 4.49Å; M496-W543 HydrophobicContact CG-CH2 3.77Å; M496-W543 HydrophobicContact CG-CZ2 3.45Å; M496-W543 VanDerWaalsContact CG-CZ2 3.45Å; M496-W543 HydrophobicContact CG-CZ3 4.09Å; M496-W543 HydrophobicContact SD-CH2 4.08Å; M496-W543 HydrophobicContact SD-CZ2 4.25Å; M496-W543 HydrophobicContact SD-CZ3 4.45Å
497	N	91.9	Very high	94.6	Very high	101 Å²	101	49.7 Å²	49.7	54%	0.54	26%	0.258	S	S	.	.	S	Bend	trans	-68.1	-34.1	176.1	-64.8	-69.2	0	0	0	111.7	E534	N497-E534 VanDerWaalsContact CB-OE2 3.26Å; N497-E534 WeakPolarHBondContact CB-OE2 3.31Å; N497-E534 PolarHBondContact N-OE2 3.33Å; N497-E534 PolarHBondContact ND2-OE2 2.82Å
498	R	87.6	Confident	94.3	Very high	139 Å²	139	46.1 Å²	46.1	53%	0.525	24%	0.237	S	C	.	.	S	Bend	trans	-120.5	153.6	178.1	-66.2	-162.9	164.8	147.6	0.5	112.8	R478 M496 E534	R478-R498 WeakPolarHBondContact CB-O 3.48Å; M496-R498 VanDerWaalsContact C-N 3.32Å; M496-R498 WeakPolarHBondContact CB-O 3.44Å; M496-R498 PolarHBondContact O-N 3.28Å; R498-E534 PolarHBondContact N-OE1 2.87Å
499	R	90.8	Very high	93.7	Very high	98 Å²	98	45.9 Å²	45.9	37%	0.37	24%	0.236	S	C	.	.			trans	-75.9	139.3	171.5	-66.7	172	-177.9	-82.4	0.6	109	C476 R478 D519	C476-R499 HydrophobicContact CB-CB 3.96Å; C476-R499 VanDerWaalsContact O-CD 3.25Å; C476-R499 WeakPolarHBondContact O-CD 3.45Å; C476-R499 WeakPolarHBondContact O-CG 3.38Å; C476-R499 PolarHBondContact O-NH1 3.4Å; R478-R499 HydrophobicContact CB-CG 4.08Å; R499-D519 HydrophobicContact CB-CB 4.37Å; R499-D519 WeakPolarHBondContact CB-OD1 3.5Å; R499-D519 WeakPolarHBondContact CD-OD1 3.43Å
500	R	92	Very high	93.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.			trans	-143	107.7	-175.5	-54.5	177.7	-178.7	-95.2	-4.3	110.9	G469 G470 H477 M496 V503 G516 T532 E534	G469-R500 WeakPolarHBondContact CA-O 3.27Å; G470-R500 PolarHBondContact N-O 2.87Å; H477-R500 PolarHBondContact O-N 3.19Å; M496-R500 HydrophobicContact CE-CB 4.13Å; M496-R500 HydrophobicContact CE-CG 4.14Å; M496-R500 HydrophobicContact SD-CG 4.39Å; R500-V503 HydrophobicContact CB-CB 3.85Å; R500-V503 HydrophobicContact CB-CG2 4.01Å; R500-G516 WeakPolarHBondContact CD-O 3.43Å; R500-G516 PolarHBondContact NH1-O 3.38Å; R500-T532 PolarHBondContact NH1-O 2.87Å; R500-T532 PolarHBondContact NH1-OG1 3.16Å; R500-T532 PolarHBondContact NH2-OG1 3.02Å; R500-E534 IonicContact CZ-OE1 2.86Å; R500-E534 IonicContact NE-OE1 2.74Å; R500-E534 PolarHBondContact NE-OE1 2.77Å; R500-E534 VanDerWaalsContact NE-OE1 3.17Å; R500-E534 IonicContact NH2-OE1 3.98Å; R500-E534 PolarHBondContact NH2-OE1 2.82Å
501	G	90.3	Very high	92.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-89.6	151.6	159.5	0	0	0	0	0	110.6	V503 G517 H518	G501-V503 PolarHBondContact O-N 2.83Å; G501-G517 CarbonylContact O-C 3.45Å; G501-G517 WeakPolarHBondContact O-CA 3.24Å; G501-H518 VanDerWaalsContact C-CD2 3.45Å; G501-H518 PolarHBondContact N-O 2.97Å; G501-H518 PolarHBondContact O-CD2 2.76Å; G501-H518 PolarHBondContact O-N 2.85Å
502	G	90	Very high	92.9	Very high	11 Å²	11	39.4 Å²	39.4	11%	0.113	21%	0.212	C	C	.	.	S	Bend	trans	59.8	32.5	179	0	0	0	0	0	113.4	T455 A555	T455-G502 WeakPolarHBondContact O-CA 3.19Å; T455-G502 PolarHBondContact O-N 3.01Å; T455-G502 PolarHBondContact OG1-N 3.02Å; G502-A555 PolarHBondContact O-N 2.66Å
503	V	94.2	Very high	92.8	Very high	10 Å²	10	33.8 Å²	33.8	6%	0.061	18%	0.182	C	C	.	.			trans	-75.5	135.1	-174.7	61.4	0	0	0	0	110.9	V468 R500 G501 V505 A514	V468-V503 WeakPolarHBondContact O-CG1 3.37Å; R500-V503 HydrophobicContact CB-CB 3.85Å; R500-V503 HydrophobicContact CB-CG2 4.01Å; G501-V503 PolarHBondContact O-N 2.83Å; V503-V505 HydrophobicContact CG1-CG2 3.94Å; V503-V505 HydrophobicContact CG2-CG2 3.96Å; V503-A514 HydrophobicContact CG2-CB 4.09Å
504	G	95.4	Very high	92.8	Very high	2 Å²	2	32 Å²	32	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.8	167.4	0	0	0	0	0	109.1	L515 C558	G504-L515 PolarHBondContact N-O 2.94Å; G504-L515 WeakPolarHBondContact O-CB 3.09Å; G504-L515 PolarHBondContact O-N 3.11Å; G504-C558 VanDerWaalsContact C-SG 3.59Å
505	V	96.6	Very high	92.8	Very high	15 Å²	15	31 Å²	31	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131	179.2	178.1	0	0	0	0	110.3	A459 V468 V503 L512 Y513 C558	A459-V505 HydrophobicContact CB-CG1 3.88Å; V468-V505 HydrophobicContact CB-CG2 3.91Å; V468-V505 HydrophobicContact CG1-CG2 4.39Å; V468-V505 HydrophobicContact CG2-CG1 3.97Å; V468-V505 HydrophobicContact CG2-CG2 4.14Å; V503-V505 HydrophobicContact CG1-CG2 3.94Å; V503-V505 HydrophobicContact CG2-CG2 3.96Å; V505-L512 HydrophobicContact CG1-CD1 3.45Å; V505-L512 VanDerWaalsContact CG1-CD1 3.45Å; V505-L512 HydrophobicContact CG1-CG 4.04Å; V505-Y513 VanDerWaalsContact CA-O 3.31Å; V505-Y513 WeakPolarHBondContact CA-O 3.34Å; V505-C558 VanDerWaalsContact C-SG 3.57Å; V505-C558 PolarHBondContact N-SG 2.79Å; V505-C558 PolarHBondContact O-SG 3.08Å
506	T	95.3	Very high	92.7	Very high	14 Å²	14	28 Å²	28	9%	0.086	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	170	176.5	-163.1	0	0	0	0	110.6	Y513 L515 C558 L565	T506-Y513 PolarHBondContact N-O 2.99Å; T506-Y513 PolarHBondContact O-N 3.01Å; T506-L515 HydrophobicContact CG2-CD1 4.23Å; T506-C558 HydrophobicContact CG2-CB 4.34Å; T506-L565 HydrophobicContact CG2-CD1 3.62Å; T506-L565 HydrophobicContact CG2-CD2 4.18Å; T506-L565 HydrophobicContact CG2-CG 3.58Å
507	V	93.4	Very high	92.5	Very high	27 Å²	27	28 Å²	28	16%	0.164	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.4	-176.4	170.7	0	0	0	0	108.5	A459 L461 F511 L512	A459-V507 HydrophobicContact CB-CG2 3.8Å; L461-V507 HydrophobicContact CB-CG1 4.29Å; L461-V507 HydrophobicContact CB-CG2 3.96Å; L461-V507 HydrophobicContact CD1-CG1 3.67Å; L461-V507 HydrophobicContact CG-CG1 4.43Å; V507-F511 WeakPolarHBondContact CA-O 3.45Å; V507-L512 HydrophobicContact CG2-CD1 3.57Å
508	A	89.7	Confident	92.3	Very high	3 Å²	3	24 Å²	24	3%	0.025	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137.5	176.5	0	0	0	0	0	109.6	G510 F511 Y513 L560 L565	A508-G510 PolarHBondContact O-N 3.28Å; A508-F511 PolarHBondContact N-O 3.44Å; A508-F511 PolarHBondContact O-N 2.94Å; A508-Y513 HydrophobicContact CB-CD2 4.11Å; A508-Y513 HydrophobicContact CB-CE2 3.72Å; A508-Y513 WeakPolarHBondContact O-CE2 3.36Å; A508-L560 HydrophobicContact CB-CD1 3.64Å; A508-L565 HydrophobicContact CB-CB 4.27Å; A508-L565 HydrophobicContact CB-CD1 4.23Å
509	N	84.2	Confident	92.3	Very high	71 Å²	71	20.8 Å²	20.8	38%	0.38	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	32.2	174.6	-59	-32.9	0	0	0	115	F511	N509-F511 VanDerWaalsContact C-N 3.31Å; N509-F511 HydrophobicContact CB-CD2 4.41Å; N509-F511 WeakPolarHBondContact O-CD2 3.45Å; N509-F511 WeakPolarHBondContact O-CE2 3.21Å; N509-F511 PolarHBondContact O-N 2.74Å
510	G	87.5	Confident	91.3	Very high	43 Å²	43	16.6 Å²	16.6	44%	0.443	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	5.3	-179.2	0	0	0	0	0	115.2	L461 A508	L461-G510 WeakPolarHBondContact CD1-O 3.2Å; A508-G510 PolarHBondContact O-N 3.28Å
511	F	92.6	Very high	89.9	Confident	49 Å²	49	19.6 Å²	19.6	22%	0.215	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	155	176.5	-58	-82.8	0	0	0	111.2	V507 A508 N509 Y513 R535 D537	V507-F511 WeakPolarHBondContact CA-O 3.45Å; A508-F511 PolarHBondContact N-O 3.44Å; A508-F511 PolarHBondContact O-N 2.94Å; N509-F511 VanDerWaalsContact C-N 3.31Å; N509-F511 HydrophobicContact CB-CD2 4.41Å; N509-F511 WeakPolarHBondContact O-CD2 3.45Å; N509-F511 WeakPolarHBondContact O-CE2 3.21Å; N509-F511 PolarHBondContact O-N 2.74Å; F511-Y513 HydrophobicContact CB-CD2 4.43Å; F511-Y513 HydrophobicContact CB-CE2 3.75Å; F511-R535 HydrophobicContact CB-CG 3.58Å; F511-R535 HydrophobicContact CD1-CG 4.17Å; F511-R535 HydrophobicContact CG-CG 3.96Å; F511-D537 HydrophobicContact CD1-CB 3.97Å; F511-D537 HydrophobicContact CE1-CB 3.85Å
512	L	95.6	Very high	88.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.1	173.6	-177.7	75.5	0	0	0	109.2	A459 L461 Y466 V468 I480 V505 V507 R535 Y536 W543	A459-L512 HydrophobicContact CB-CD1 3.75Å; L461-L512 HydrophobicContact CD2-CB 4.17Å; Y466-L512 HydrophobicContact CD1-CD2 4.24Å; Y466-L512 HydrophobicContact CG-CD2 4.21Å; V468-L512 HydrophobicContact CG2-CD2 3.73Å; I480-L512 HydrophobicContact CD1-CD2 3.58Å; V505-L512 HydrophobicContact CG1-CD1 3.45Å; V505-L512 VanDerWaalsContact CG1-CD1 3.45Å; V505-L512 HydrophobicContact CG1-CG 4.04Å; V507-L512 HydrophobicContact CG2-CD1 3.57Å; L512-R535 CarbonylContact O-C 3.57Å; L512-R535 WeakPolarHBondContact O-CA 3.49Å; L512-Y536 HydrophobicContact CB-CD1 4.26Å; L512-Y536 HydrophobicContact CD2-CD1 4.35Å; L512-Y536 PolarHBondContact N-O 3.01Å; L512-Y536 PolarHBondContact O-N 2.78Å; L512-W543 HydrophobicContact CD2-CH2 4.27Å
513	Y	96.6	Very high	86.7	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.1	-178.8	-68.7	-104	0	0	0	109.6	V505 T506 A508 F511 V533 E534 R535 I546 L565 Y583	V505-Y513 VanDerWaalsContact CA-O 3.31Å; V505-Y513 WeakPolarHBondContact CA-O 3.34Å; T506-Y513 PolarHBondContact N-O 2.99Å; T506-Y513 PolarHBondContact O-N 3.01Å; A508-Y513 HydrophobicContact CB-CD2 4.11Å; A508-Y513 HydrophobicContact CB-CE2 3.72Å; A508-Y513 WeakPolarHBondContact O-CE2 3.36Å; F511-Y513 HydrophobicContact CB-CD2 4.43Å; F511-Y513 HydrophobicContact CB-CE2 3.75Å; Y513-V533 HydrophobicContact CD1-CG1 4.44Å; Y513-E534 WeakPolarHBondContact CA-O 3.19Å; Y513-R535 HydrophobicContact CD1-CB 4.22Å; Y513-R535 HydrophobicContact CD1-CG 4.28Å; Y513-R535 HydrophobicContact CE1-CB 4.05Å; Y513-R535 HydrophobicContact CE1-CG 3.84Å; Y513-R535 HydrophobicContact CE2-CG 4.15Å; Y513-R535 WeakPolarHBondContact OH-CD 3.48Å; Y513-I546 HydrophobicContact CD1-CD1 3.65Å; Y513-I546 HydrophobicContact CE1-CD1 3.55Å; Y513-L565 HydrophobicContact CD1-CD1 3.88Å; Y513-L565 HydrophobicContact CD2-CD1 3.84Å; Y513-L565 HydrophobicContact CE1-CD1 4.4Å; Y513-L565 HydrophobicContact CE2-CD1 4.38Å; Y513-L565 HydrophobicContact CG-CD1 3.57Å; Y513-Y583 HydrophobicContact CE1-CD1 4.25Å; Y513-Y583 AromaticContact CE1-CE1 3.86Å; Y513-Y583 HydrophobicContact CE1-CE1 3.86Å
514	A	96.9	Very high	85	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.8	172.8	0	0	0	0	0	109.4	V468 M496 V503 V533 E534 W543	V468-A514 HydrophobicContact CG1-CB 4.47Å; M496-A514 HydrophobicContact SD-CB 3.68Å; V503-A514 HydrophobicContact CG2-CB 4.09Å; A514-V533 WeakPolarHBondContact O-CA 3.43Å; A514-E534 PolarHBondContact N-O 3.46Å; A514-E534 PolarHBondContact O-N 3.4Å; A514-W543 HydrophobicContact CB-CH2 3.89Å; A514-W543 HydrophobicContact CB-CZ3 3.64Å
515	L	95.9	Very high	83.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.8	-167.3	-58	156.8	0	0	0	109.6	G504 T506 G517 V533 I556 C558 L565 V567 W590	G504-L515 PolarHBondContact N-O 2.94Å; G504-L515 WeakPolarHBondContact O-CB 3.09Å; G504-L515 PolarHBondContact O-N 3.11Å; T506-L515 HydrophobicContact CG2-CD1 4.23Å; L515-G517 PolarHBondContact O-N 3.33Å; L515-V533 HydrophobicContact CD2-CB 4.27Å; L515-V533 HydrophobicContact CD2-CG1 3.44Å; L515-V533 VanDerWaalsContact CD2-CG1 3.44Å; L515-V533 HydrophobicContact CD2-CG2 3.82Å; L515-V533 HydrophobicContact CG-CG1 4.36Å; L515-I556 HydrophobicContact CB-CD1 4.15Å; L515-I556 WeakPolarHBondContact O-CD1 3.42Å; L515-C558 HydrophobicContact CD1-CB 3.63Å; L515-L565 HydrophobicContact CD1-CD2 4.22Å; L515-L565 HydrophobicContact CD2-CD2 4.49Å; L515-V567 HydrophobicContact CD1-CG2 3.87Å; L515-V567 HydrophobicContact CD2-CG2 4.15Å; L515-W590 HydrophobicContact CD2-CH2 3.67Å; L515-W590 HydrophobicContact CD2-CZ2 3.78Å
516	G	94.3	Very high	81.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.252	C	S	.	.			trans	49.7	-134.5	173.7	0	0	0	0	0	114.2	R500 T530 T532	R500-G516 WeakPolarHBondContact CD-O 3.43Å; R500-G516 PolarHBondContact NH1-O 3.38Å; G516-T530 WeakPolarHBondContact CA-O 3.44Å; G516-T532 PolarHBondContact N-O 3.06Å; G516-T532 VanDerWaalsContact N-O 3.15Å
517	G	92.3	Very high	79.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	28%	0.279	C	S	.	.			trans	96.9	-170.1	-174.4	0	0	0	0	0	111.9	G501 L515 R529 T530 R553	G501-G517 CarbonylContact O-C 3.45Å; G501-G517 WeakPolarHBondContact O-CA 3.24Å; L515-G517 PolarHBondContact O-N 3.33Å; G517-R529 CarbonylContact O-C 3.54Å; G517-R529 WeakPolarHBondContact O-CA 3.38Å; G517-T530 PolarHBondContact O-N 3.22Å; G517-R553 PolarHBondContact N-O 3.14Å
518	H	88.3	Confident	78.4	Confident	19 Å²	19	45.8 Å²	45.8	9%	0.088	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-136.5	152.8	-179.8	73.4	113.4	0	0	0	112.5	C476 G501 C520 C528 R529 D554	C476-H518 PolarHBondContact SG-O 2.93Å; G501-H518 VanDerWaalsContact C-CD2 3.45Å; G501-H518 PolarHBondContact N-O 2.97Å; G501-H518 PolarHBondContact O-CD2 2.76Å; G501-H518 PolarHBondContact O-N 2.85Å; H518-C520 WeakPolarHBondContact ND1-CB 3.09Å; H518-C520 PolarHBondContact ND1-N 2.86Å; H518-C520 PolarHBondContact ND1-SG 3.41Å; H518-C528 CarbonylContact C-O 3.59Å; H518-C528 WeakPolarHBondContact CA-O 3.38Å; H518-R529 HydrophobicContact CB-CG 3.94Å; H518-D554 HydrophobicContact CB-CB 4.21Å; H518-D554 IonicContact CD2-OD2 3.28Å; H518-D554 PolarHBondContact CD2-OD2 2.87Å; H518-D554 IonicContact CG-OD2 2.64Å; H518-D554 IonicContact NE2-OD2 2.71Å
519	D	85.8	Confident	78.2	Confident	71 Å²	71	47.9 Å²	47.9	38%	0.38	29%	0.292	S	S	.	.			trans	-116	44.1	171.4	-166.2	17.6	0	0	0	110.2	R499 P521 C528	R499-D519 HydrophobicContact CB-CB 4.37Å; R499-D519 WeakPolarHBondContact CB-OD1 3.5Å; R499-D519 WeakPolarHBondContact CD-OD1 3.43Å; D519-P521 VanDerWaalsContact O-CD 3.23Å; D519-P521 WeakPolarHBondContact O-CD 3.29Å; D519-C528 HydrophobicContact CB-CB 4.28Å; D519-C528 PolarHBondContact N-O 2.8Å; D519-C528 VanDerWaalsContact O-CB 3.24Å; D519-C528 WeakPolarHBondContact O-CB 3.22Å; D519-C528 PolarHBondContact O-SG 2.85Å
520	C	70.8	Confident	78.4	Confident	9 Å²	9	45.2 Å²	45.2	6%	0.061	28%	0.278	C	S	.	.			trans	-78	119.8	-178.8	-57	0	0	0	0	109.4	H518 P525 C528	H518-C520 WeakPolarHBondContact ND1-CB 3.09Å; H518-C520 PolarHBondContact ND1-N 2.86Å; H518-C520 PolarHBondContact ND1-SG 3.41Å; C520-P525 PolarHBondContact SG-O 2.84Å; C520-P525 VanDerWaalsContact SG-O 3.4Å; C520-C528 HydrophobicContact CB-CB 4.33Å
521	P	62.6	Low	78.6	Confident	64 Å²	64	47 Å²	47	42%	0.416	28%	0.275	S	S	.	.			trans	-64.3	156.8	161.1	27.4	-30.9	0	0	0	109.4	D519 S523 N524	D519-P521 VanDerWaalsContact O-CD 3.23Å; D519-P521 WeakPolarHBondContact O-CD 3.29Å; P521-S523 PolarHBondContact O-N 2.78Å; P521-N524 PolarHBondContact O-N 2.96Å
522	A	56.3	Low	78.7	Confident	80 Å²	80	45 Å²	45	66%	0.661	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.7	-179	0	0	0	0	0	114.1
523	S	57.1	Low	78.8	Confident	109 Å²	109	45 Å²	45	76%	0.762	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-19.6	-177.7	52.9	0	0	0	0	115.9	P521	P521-S523 PolarHBondContact O-N 2.78Å
524	N	59.2	Low	78.7	Confident	74 Å²	74	44.8 Å²	44.8	40%	0.396	27%	0.266	S	S	.	.			trans	-144.9	94.8	177.5	-170.9	-8.1	0	0	0	112.6	P521 M526	P521-N524 PolarHBondContact O-N 2.96Å; N524-M526 PolarHBondContact O-N 3.4Å; N524-M526 PolarHBondContact OD1-N 2.81Å
525	P	58.3	Low	78.7	Confident	86 Å²	86	48.1 Å²	48.1	56%	0.558	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-13	-176.4	-16.3	30.8	0	0	0	116	C520 R529	C520-P525 PolarHBondContact SG-O 2.84Å; C520-P525 VanDerWaalsContact SG-O 3.4Å; P525-R529 PolarHBondContact O-NH1 2.87Å
526	M	55.3	Low	78.8	Confident	130 Å²	130	48.3 Å²	48.3	64%	0.64	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-16.3	-167.6	-83	-177.2	82	0	0	115.3	N524	N524-M526 PolarHBondContact O-N 3.4Å; N524-M526 PolarHBondContact OD1-N 2.81Å
527	V	55	Low	78.8	Confident	108 Å²	108	50 Å²	50	66%	0.655	29%	0.288	S	S	*	.	S	Bend	trans	-119.9	8.2	-158.8	-174.6	0	0	0	0	116
528	C	72.4	Confident	78.8	Confident	41 Å²	41	52.5 Å²	52.5	28%	0.277	30%	0.304	S	S	.	.			trans	-126.9	24.1	-170.5	-50.2	0	0	0	0	116.2	H518 D519 C520	H518-C528 CarbonylContact C-O 3.59Å; H518-C528 WeakPolarHBondContact CA-O 3.38Å; D519-C528 HydrophobicContact CB-CB 4.28Å; D519-C528 PolarHBondContact N-O 2.8Å; D519-C528 VanDerWaalsContact O-CB 3.24Å; D519-C528 WeakPolarHBondContact O-CB 3.22Å; D519-C528 PolarHBondContact O-SG 2.85Å; C520-C528 HydrophobicContact CB-CB 4.33Å
529	R	85.4	Confident	78.9	Confident	48 Å²	48	55.9 Å²	55.9	18%	0.181	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-75.6	142.6	172.5	-73.4	167.9	-178.5	76.1	16.2	110.5	G517 H518 P525 D554 Y571 D572	G517-R529 CarbonylContact O-C 3.54Å; G517-R529 WeakPolarHBondContact O-CA 3.38Å; H518-R529 HydrophobicContact CB-CG 3.94Å; P525-R529 PolarHBondContact O-NH1 2.87Å; R529-D554 HydrophobicContact CG-CB 4.36Å; R529-D554 IonicContact CZ-OD1 3.24Å; R529-D554 IonicContact NE-OD1 3.7Å; R529-D554 PolarHBondContact NE-OD1 2.82Å; R529-D554 IonicContact NH2-OD1 2.73Å; R529-D554 PolarHBondContact NH2-OD1 2.89Å; R529-D554 IonicContact NH2-OD2 3.48Å; R529-Y571 WeakPolarHBondContact CD-O 3.4Å; R529-Y571 PolarHBondContact NE-O 2.85Å; R529-Y571 VanDerWaalsContact NH2-CD1 3.3Å; R529-D572 WeakPolarHBondContact CD-O 3.49Å
530	T	89.1	Confident	79.3	Confident	14 Å²	14	56.5 Å²	56.5	9%	0.086	34%	0.342	C	S	.	.			trans	-119.8	144.1	179.9	-168.8	0	0	0	0	111.8	G516 G517 T532 R553	G516-T530 WeakPolarHBondContact CA-O 3.44Å; G517-T530 PolarHBondContact O-N 3.22Å; T530-T532 WeakPolarHBondContact OG1-CB 3.37Å; T530-T532 WeakPolarHBondContact OG1-CG2 3.47Å; T530-T532 PolarHBondContact OG1-N 3.06Å; T530-T532 VanDerWaalsContact OG1-N 3.15Å; T530-T532 PolarHBondContact OG1-OG1 2.75Å; T530-R553 PolarHBondContact O-N 3.45Å
531	E	92	Very high	80.5	Confident	81 Å²	81	59.1 Å²	59.1	38%	0.379	36%	0.355	S	S	.	.			trans	-88.1	-13.4	171.1	70.7	-79.4	-164.9	0	0	111.8	S548 L549	E531-S548 CarbonylContact O-C 3.58Å; E531-S548 WeakPolarHBondContact O-CA 3.36Å; E531-S548 WeakPolarHBondContact O-CB 3.48Å; E531-L549 PolarHBondContact O-N 3.01Å
532	T	94.3	Very high	82.2	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.037	35%	0.354	C	S	.	.			trans	-68.1	145.4	-172.7	57.6	0	0	0	0	112	R500 G516 T530 L545	R500-T532 PolarHBondContact NH1-O 2.87Å; R500-T532 PolarHBondContact NH1-OG1 3.16Å; R500-T532 PolarHBondContact NH2-OG1 3.02Å; G516-T532 PolarHBondContact N-O 3.06Å; G516-T532 VanDerWaalsContact N-O 3.15Å; T530-T532 WeakPolarHBondContact OG1-CB 3.37Å; T530-T532 WeakPolarHBondContact OG1-CG2 3.47Å; T530-T532 PolarHBondContact OG1-N 3.06Å; T530-T532 VanDerWaalsContact OG1-N 3.15Å; T530-T532 PolarHBondContact OG1-OG1 2.75Å; T532-L545 HydrophobicContact CG2-CD1 4.26Å
533	V	96.3	Very high	84.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.8	176.3	-177	0	0	0	0	109.2	Y513 A514 L515 L545 I546 L549 W590	Y513-V533 HydrophobicContact CD1-CG1 4.44Å; A514-V533 WeakPolarHBondContact O-CA 3.43Å; L515-V533 HydrophobicContact CD2-CB 4.27Å; L515-V533 HydrophobicContact CD2-CG1 3.44Å; L515-V533 VanDerWaalsContact CD2-CG1 3.44Å; L515-V533 HydrophobicContact CD2-CG2 3.82Å; L515-V533 HydrophobicContact CG-CG1 4.36Å; V533-L545 WeakPolarHBondContact O-CD1 3.49Å; V533-I546 HydrophobicContact CB-CD1 4.19Å; V533-I546 HydrophobicContact CB-CG1 3.73Å; V533-I546 HydrophobicContact CG1-CD1 3.58Å; V533-I546 HydrophobicContact CG1-CG1 3.63Å; V533-I546 PolarHBondContact O-N 2.97Å; V533-L549 HydrophobicContact CG2-CD1 4.26Å; V533-L549 HydrophobicContact CG2-CD2 4.21Å; V533-L549 HydrophobicContact CG2-CG 3.75Å; V533-W590 HydrophobicContact CG1-CZ2 4.44Å; V533-W590 HydrophobicContact CG2-CZ2 4.02Å
534	E	96.3	Very high	86	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137	177.8	-62.4	178.5	-117.7	0	0	110.3	N497 R498 R500 Y513 A514 W543 T544 L545	N497-E534 VanDerWaalsContact CB-OE2 3.26Å; N497-E534 WeakPolarHBondContact CB-OE2 3.31Å; N497-E534 PolarHBondContact N-OE2 3.33Å; N497-E534 PolarHBondContact ND2-OE2 2.82Å; R498-E534 PolarHBondContact N-OE1 2.87Å; R500-E534 IonicContact CZ-OE1 2.86Å; R500-E534 IonicContact NE-OE1 2.74Å; R500-E534 PolarHBondContact NE-OE1 2.77Å; R500-E534 VanDerWaalsContact NE-OE1 3.17Å; R500-E534 IonicContact NH2-OE1 3.98Å; R500-E534 PolarHBondContact NH2-OE1 2.82Å; Y513-E534 WeakPolarHBondContact CA-O 3.19Å; A514-E534 PolarHBondContact N-O 3.46Å; A514-E534 PolarHBondContact O-N 3.4Å; E534-W543 HydrophobicContact CB-CD2 4.47Å; E534-W543 HydrophobicContact CB-CE3 3.52Å; E534-W543 HydrophobicContact CB-CZ3 4.02Å; E534-T544 WeakPolarHBondContact CA-O 3.39Å; E534-L545 HydrophobicContact CG-CD1 4.08Å
535	R	96.1	Very high	87.7	Confident	70 Å²	70	55.9 Å²	55.9	26%	0.264	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.2	175.9	-175.1	-169.7	73.6	-172.2	1.6	109.6	F511 L512 Y513 W543 T544 I546	F511-R535 HydrophobicContact CB-CG 3.58Å; F511-R535 HydrophobicContact CD1-CG 4.17Å; F511-R535 HydrophobicContact CG-CG 3.96Å; L512-R535 CarbonylContact O-C 3.57Å; L512-R535 WeakPolarHBondContact O-CA 3.49Å; Y513-R535 HydrophobicContact CD1-CB 4.22Å; Y513-R535 HydrophobicContact CD1-CG 4.28Å; Y513-R535 HydrophobicContact CE1-CB 4.05Å; Y513-R535 HydrophobicContact CE1-CG 3.84Å; Y513-R535 HydrophobicContact CE2-CG 4.15Å; Y513-R535 WeakPolarHBondContact OH-CD 3.48Å; R535-W543 CarbonylContact O-C 3.57Å; R535-W543 WeakPolarHBondContact O-CA 3.39Å; R535-T544 PolarHBondContact N-O 3.27Å; R535-T544 PolarHBondContact O-N 3.38Å; R535-I546 HydrophobicContact CB-CG2 4Å
536	Y	97.2	Very high	89.4	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.2	175.7	176	-104.6	0	0	0	111.3	Y466 L493 L512 P538 D541 T542 W543	Y466-Y536 HydrophobicContact CE1-CE1 4.12Å; L493-Y536 HydrophobicContact CD1-CE1 4.36Å; L493-Y536 WeakPolarHBondContact CD1-OH 3.37Å; L512-Y536 HydrophobicContact CB-CD1 4.26Å; L512-Y536 HydrophobicContact CD2-CD1 4.35Å; L512-Y536 PolarHBondContact N-O 3.01Å; L512-Y536 PolarHBondContact O-N 2.78Å; Y536-P538 HydrophobicContact CE1-CB 3.97Å; Y536-D541 WeakPolarHBondContact CE2-OD1 3.29Å; Y536-D541 VanDerWaalsContact CZ-OD1 3.29Å; Y536-D541 PolarHBondContact OH-OD1 3.05Å; Y536-T542 WeakPolarHBondContact CA-O 3.28Å; Y536-W543 AromaticContact CD2-CD1 3.82Å; Y536-W543 AromaticContact CD2-CD2 4Å; Y536-W543 HydrophobicContact CD2-CD2 4Å; Y536-W543 AromaticContact CD2-CE2 3.63Å; Y536-W543 HydrophobicContact CD2-CG 4.13Å; Y536-W543 HydrophobicContact CD2-CZ2 4.14Å; Y536-W543 AromaticContact CD2-NE1 3.48Å; Y536-W543 HydrophobicContact CG-CD2 4.29Å; Y536-W543 AromaticContact CG-CE2 3.96Å; Y536-W543 HydrophobicContact CG-CH2 4.44Å; Y536-W543 HydrophobicContact CG-CZ2 4.06Å
537	D	94.5	Very high	91.3	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.193	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.7	171.7	-173.6	-17.7	0	0	0	109.8	F511 A539 T540 D541 T542	F511-D537 HydrophobicContact CD1-CB 3.97Å; F511-D537 HydrophobicContact CE1-CB 3.85Å; D537-A539 PolarHBondContact O-N 2.86Å; D537-A539 VanDerWaalsContact OD1-CB 3.3Å; D537-A539 WeakPolarHBondContact OD1-CB 3.33Å; D537-A539 PolarHBondContact OD1-N 2.86Å; D537-T540 WeakPolarHBondContact CB-OG1 3.4Å; D537-D541 WeakPolarHBondContact O-CA 3.43Å; D537-D541 PolarHBondContact O-N 2.94Å; D537-T542 PolarHBondContact N-O 2.7Å; D537-T542 PolarHBondContact O-N 2.83Å
538	P	92.6	Very high	93.2	Very high	51 Å²	51	45 Å²	45	33%	0.331	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19	178.9	31	-37.5	0	0	0	113.6	L461 Y536	L461-P538 HydrophobicContact CD2-CB 4.43Å; L461-P538 HydrophobicContact CD2-CG 3.91Å; Y536-P538 HydrophobicContact CE1-CB 3.97Å
539	A	91.5	Very high	94.2	Very high	91 Å²	91	43.3 Å²	43.3	75%	0.752	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-33.9	179.8	0	0	0	0	0	112	D537	D537-A539 PolarHBondContact O-N 2.86Å; D537-A539 VanDerWaalsContact OD1-CB 3.3Å; D537-A539 WeakPolarHBondContact OD1-CB 3.33Å; D537-A539 PolarHBondContact OD1-N 2.86Å
540	T	94.2	Very high	94.5	Very high	83 Å²	83	45 Å²	45	51%	0.509	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-10.1	179.6	59.8	0	0	0	0	113.5	D537 T542	D537-T540 WeakPolarHBondContact CB-OG1 3.4Å; T540-T542 PolarHBondContact OG1-OG1 3.47Å
541	D	95.9	Very high	94.6	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	49.2	-172.3	-168	32.3	0	0	0	112	A494 Y536 D537	A494-D541 WeakPolarHBondContact CB-O 3.47Å; A494-D541 WeakPolarHBondContact CB-OD1 3.21Å; A494-D541 PolarHBondContact N-OD1 3.15Å; A494-D541 PolarHBondContact N-OD2 3.07Å; Y536-D541 WeakPolarHBondContact CE2-OD1 3.29Å; Y536-D541 VanDerWaalsContact CZ-OD1 3.29Å; Y536-D541 PolarHBondContact OH-OD1 3.05Å; D537-D541 WeakPolarHBondContact O-CA 3.43Å; D537-D541 PolarHBondContact O-N 2.94Å
542	T	96.9	Very high	94.5	Very high	65 Å²	65	45.6 Å²	45.6	40%	0.399	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145	-178.2	59.1	0	0	0	0	113.3	Y536 D537 T540	Y536-T542 WeakPolarHBondContact CA-O 3.28Å; D537-T542 PolarHBondContact N-O 2.7Å; D537-T542 PolarHBondContact O-N 2.83Å; T540-T542 PolarHBondContact OG1-OG1 3.47Å
543	W	97.4	Very high	94.4	Very high	26 Å²	26	45.3 Å²	45.3	10%	0.098	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.7	171.4	-69	89.7	0	0	0	111.5	V468 I480 A494 M496 L512 A514 E534 R535 Y536	V468-W543 HydrophobicContact CG1-CH2 3.97Å; V468-W543 HydrophobicContact CG1-CZ2 4.17Å; I480-W543 HydrophobicContact CD1-CZ2 3.86Å; I480-W543 HydrophobicContact CG2-CZ2 4.35Å; A494-W543 PolarHBondContact O-NE1 2.88Å; M496-W543 HydrophobicContact CG-CD2 3.82Å; M496-W543 VanDerWaalsContact CG-CE2 3.47Å; M496-W543 HydrophobicContact CG-CE3 4.12Å; M496-W543 HydrophobicContact CG-CG 4.49Å; M496-W543 HydrophobicContact CG-CH2 3.77Å; M496-W543 HydrophobicContact CG-CZ2 3.45Å; M496-W543 VanDerWaalsContact CG-CZ2 3.45Å; M496-W543 HydrophobicContact CG-CZ3 4.09Å; M496-W543 HydrophobicContact SD-CH2 4.08Å; M496-W543 HydrophobicContact SD-CZ2 4.25Å; M496-W543 HydrophobicContact SD-CZ3 4.45Å; L512-W543 HydrophobicContact CD2-CH2 4.27Å; A514-W543 HydrophobicContact CB-CH2 3.89Å; A514-W543 HydrophobicContact CB-CZ3 3.64Å; E534-W543 HydrophobicContact CB-CD2 4.47Å; E534-W543 HydrophobicContact CB-CE3 3.52Å; E534-W543 HydrophobicContact CB-CZ3 4.02Å; R535-W543 CarbonylContact O-C 3.57Å; R535-W543 WeakPolarHBondContact O-CA 3.39Å; Y536-W543 AromaticContact CD2-CD1 3.82Å; Y536-W543 AromaticContact CD2-CD2 4Å; Y536-W543 HydrophobicContact CD2-CD2 4Å; Y536-W543 AromaticContact CD2-CE2 3.63Å; Y536-W543 HydrophobicContact CD2-CG 4.13Å; Y536-W543 HydrophobicContact CD2-CZ2 4.14Å; Y536-W543 AromaticContact CD2-NE1 3.48Å; Y536-W543 HydrophobicContact CG-CD2 4.29Å; Y536-W543 AromaticContact CG-CE2 3.96Å; Y536-W543 HydrophobicContact CG-CH2 4.44Å; Y536-W543 HydrophobicContact CG-CZ2 4.06Å
544	T	95.9	Very high	94.3	Very high	62 Å²	62	46.1 Å²	46.1	38%	0.38	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131	173.9	-53.3	0	0	0	0	109.4	E534 R535	E534-T544 WeakPolarHBondContact CA-O 3.39Å; R535-T544 PolarHBondContact N-O 3.27Å; R535-T544 PolarHBondContact O-N 3.38Å
545	L	95.3	Very high	94.1	Very high	107 Å²	107	47.5 Å²	47.5	56%	0.56	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.9	171.7	-171.7	73.3	0	0	0	109.4	T532 V533 E534	T532-L545 HydrophobicContact CG2-CD1 4.26Å; V533-L545 WeakPolarHBondContact O-CD1 3.49Å; E534-L545 HydrophobicContact CG-CD1 4.08Å
546	I	94.5	Very high	94	Very high	15 Å²	15	44.8 Å²	44.8	8%	0.077	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-174.9	175.7	68	173.5	0	0	0	110.3	Y513 V533 R535 S548 Y583	Y513-I546 HydrophobicContact CD1-CD1 3.65Å; Y513-I546 HydrophobicContact CE1-CD1 3.55Å; V533-I546 HydrophobicContact CB-CD1 4.19Å; V533-I546 HydrophobicContact CB-CG1 3.73Å; V533-I546 HydrophobicContact CG1-CD1 3.58Å; V533-I546 HydrophobicContact CG1-CG1 3.63Å; V533-I546 PolarHBondContact O-N 2.97Å; R535-I546 HydrophobicContact CB-CG2 4Å; I546-S548 PolarHBondContact O-N 3.07Å; I546-Y583 HydrophobicContact CD1-CE1 4.26Å; I546-Y583 HydrophobicContact CD1-CE2 4.05Å
547	C	94.2	Very high	93.9	Very high	28 Å²	28	44.8 Å²	44.8	19%	0.189	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-57.5	134.8	-179.3	66.4	0	0	0	0	112.1	Y583 N588 G589 W590	C547-Y583 VanDerWaalsContact SG-CE2 3.53Å; C547-N588 WeakPolarHBondContact CB-O 3.44Å; C547-N588 PolarHBondContact N-OD1 2.7Å; C547-N588 PolarHBondContact SG-O 2.85Å; C547-G589 VanDerWaalsContact SG-CA 3.58Å; C547-W590 PolarHBondContact O-NE1 3.38Å; C547-W590 PolarHBondContact SG-NE1 3.48Å; C547-W590 VanDerWaalsContact SG-NE1 3.39Å
548	S	95.1	Very high	94	Very high	52 Å²	52	43.9 Å²	43.9	36%	0.364	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-69.1	152.6	177.2	-64.1	0	0	0	0	111.8	E531 I546	E531-S548 CarbonylContact O-C 3.58Å; E531-S548 WeakPolarHBondContact O-CA 3.36Å; E531-S548 WeakPolarHBondContact O-CB 3.48Å; I546-S548 PolarHBondContact O-N 3.07Å
549	L	94.3	Very high	94.1	Very high	6 Å²	6	42 Å²	42	3%	0.031	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-61.4	159.3	167.5	-60.6	166.6	0	0	0	110.3	E531 V533 L551 R553 I556 V567 W590	E531-L549 PolarHBondContact O-N 3.01Å; V533-L549 HydrophobicContact CG2-CD1 4.26Å; V533-L549 HydrophobicContact CG2-CD2 4.21Å; V533-L549 HydrophobicContact CG2-CG 3.75Å; L549-L551 PolarHBondContact O-N 3.25Å; L549-R553 HydrophobicContact CD1-CG 4.25Å; L549-I556 HydrophobicContact CD1-CD1 3.87Å; L549-V567 HydrophobicContact CD2-CG1 4.46Å; L549-V567 HydrophobicContact CD2-CG2 4.35Å; L549-W590 HydrophobicContact CD2-CD2 3.87Å; L549-W590 HydrophobicContact CD2-CE3 4.17Å; L549-W590 HydrophobicContact CD2-CG 4.49Å; L549-W590 HydrophobicContact CD2-CH2 3.93Å; L549-W590 HydrophobicContact CD2-CZ2 3.63Å; L549-W590 HydrophobicContact CD2-CZ3 4.2Å
550	A	91.6	Very high	94.1	Very high	82 Å²	82	40.6 Å²	40.6	68%	0.678	25%	0.251	S	S	*	.	S	Bend	trans	-62	-32	177.9	0	0	0	0	0	113.2	E581	A550-E581 PolarHBondContact N-OE2 2.78Å; A550-E581 VanDerWaalsContact N-OE2 3.07Å
551	L	90.1	Very high	93.8	Very high	87 Å²	87	36.8 Å²	36.8	46%	0.455	23%	0.228	S	C	.	.	S	Bend	trans	-134.1	145.5	-179.6	-66.1	171.5	0	0	0	111	L549 R553 L577	L549-L551 PolarHBondContact O-N 3.25Å; L551-R553 PolarHBondContact O-N 3.43Å; L551-L577 HydrophobicContact CD1-CD2 4.48Å
552	G	90.7	Very high	93.2	Very high	21 Å²	21	35.6 Å²	35.6	22%	0.216	23%	0.231	C	C	.	.			trans	-72.6	119.7	171.9	0	0	0	0	0	111.1
553	R	92.7	Very high	92.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.228	C	C	.	.			trans	-145.4	146.8	-173.7	50.7	176.6	171.1	179.2	-4.9	113.1	G517 T530 L549 L551 I556 V567 G569 Y571 L577 E581	G517-R553 PolarHBondContact N-O 3.14Å; T530-R553 PolarHBondContact O-N 3.45Å; L549-R553 HydrophobicContact CD1-CG 4.25Å; L551-R553 PolarHBondContact O-N 3.43Å; R553-I556 HydrophobicContact CB-CG1 4.43Å; R553-I556 HydrophobicContact CG-CD1 3.71Å; R553-I556 HydrophobicContact CG-CG1 3.87Å; R553-V567 VanDerWaalsContact CZ-CG1 3.44Å; R553-G569 WeakPolarHBondContact CD-O 3.25Å; R553-G569 PolarHBondContact NH1-O 3.45Å; R553-Y571 VanDerWaalsContact CA-O 3.24Å; R553-Y571 WeakPolarHBondContact CA-O 3.37Å; R553-L577 HydrophobicContact CB-CD1 3.9Å; R553-L577 HydrophobicContact CG-CD1 4.39Å; R553-E581 IonicContact CZ-OE1 2.76Å; R553-E581 VanDerWaalsContact CZ-OE1 3.28Å; R553-E581 IonicContact NE-OE1 3.24Å; R553-E581 IonicContact NH1-OE1 3.2Å; R553-E581 IonicContact NH2-OE1 2.97Å; R553-E581 PolarHBondContact NH2-OE1 2.82Å
554	D	92.6	Very high	91.9	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.091	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-114.7	176.5	168.9	73.1	-38	0	0	0	111.8	H518 R529 I556 G570 Y571	H518-D554 HydrophobicContact CB-CB 4.21Å; H518-D554 IonicContact CD2-OD2 3.28Å; H518-D554 PolarHBondContact CD2-OD2 2.87Å; H518-D554 IonicContact CG-OD2 2.64Å; H518-D554 IonicContact NE2-OD2 2.71Å; R529-D554 HydrophobicContact CG-CB 4.36Å; R529-D554 IonicContact CZ-OD1 3.24Å; R529-D554 IonicContact NE-OD1 3.7Å; R529-D554 PolarHBondContact NE-OD1 2.82Å; R529-D554 IonicContact NH2-OD1 2.73Å; R529-D554 PolarHBondContact NH2-OD1 2.89Å; R529-D554 IonicContact NH2-OD2 3.48Å; D554-I556 PolarHBondContact O-N 2.8Å; D554-G570 CarbonylContact O-C 3.27Å; D554-G570 VanDerWaalsContact O-CA 3.26Å; D554-G570 WeakPolarHBondContact O-CA 3.41Å; D554-Y571 PolarHBondContact N-O 3.09Å; D554-Y571 PolarHBondContact O-N 2.77Å; D554-Y571 WeakPolarHBondContact OD1-CB 3.35Å; D554-Y571 VanDerWaalsContact OD1-O 3.07Å
555	A	92.5	Very high	91.9	Very high	30 Å²	30	35 Å²	35	25%	0.248	22%	0.219	C	C	.	.	S	Bend	trans	53.2	42.6	-177.5	0	0	0	0	0	112.1	G502 A601 G602	G502-A555 PolarHBondContact O-N 2.66Å; A555-A601 HydrophobicContact CB-CB 4.44Å; A555-G602 WeakPolarHBondContact O-CA 3.47Å; A555-G602 PolarHBondContact O-N 3.17Å
556	I	94.6	Very high	91.9	Very high	14 Å²	14	30 Å²	30	7%	0.072	19%	0.193	C	C	.	.			trans	-74.4	132.3	-175.7	-62.9	-179.4	0	0	0	109.9	L515 L549 R553 D554 C558 V567	L515-I556 HydrophobicContact CB-CD1 4.15Å; L515-I556 WeakPolarHBondContact O-CD1 3.42Å; L549-I556 HydrophobicContact CD1-CD1 3.87Å; R553-I556 HydrophobicContact CB-CG1 4.43Å; R553-I556 HydrophobicContact CG-CD1 3.71Å; R553-I556 HydrophobicContact CG-CG1 3.87Å; D554-I556 PolarHBondContact O-N 2.8Å; I556-C558 HydrophobicContact CG2-CB 4.46Å; I556-V567 HydrophobicContact CG2-CG1 3.26Å
557	G	95.2	Very high	92	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.6	162.9	0	0	0	0	0	110.1	V568 V605	G557-V568 PolarHBondContact N-O 2.84Å; G557-V568 VanDerWaalsContact N-O 3.16Å; G557-V568 PolarHBondContact O-N 2.99Å; G557-V605 VanDerWaalsContact CA-CG2 3.46Å
558	C	95.5	Very high	92.1	Very high	17 Å²	17	28 Å²	28	12%	0.115	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144	177.2	57.3	0	0	0	0	111.4	G504 V505 T506 L515 I556 I566	G504-C558 VanDerWaalsContact C-SG 3.59Å; V505-C558 VanDerWaalsContact C-SG 3.57Å; V505-C558 PolarHBondContact N-SG 2.79Å; V505-C558 PolarHBondContact O-SG 3.08Å; T506-C558 HydrophobicContact CG2-CB 4.34Å; L515-C558 HydrophobicContact CD1-CB 3.63Å; I556-C558 HydrophobicContact CG2-CB 4.46Å; C558-I566 VanDerWaalsContact CA-O 3.27Å; C558-I566 WeakPolarHBondContact CA-O 3.44Å
559	A	94.8	Very high	92.1	Very high	11 Å²	11	25.6 Å²	25.6	9%	0.091	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	165.8	170.1	0	0	0	0	0	111	L324 I566 V605	L324-A559 HydrophobicContact CD1-CB 3.94Å; A559-I566 PolarHBondContact N-O 3.04Å; A559-I566 VanDerWaalsContact N-O 3.15Å; A559-I566 PolarHBondContact O-N 3.11Å; A559-V605 HydrophobicContact CB-CB 4.47Å; A559-V605 HydrophobicContact CB-CG1 3.86Å
560	L	91.6	Very high	92.1	Very high	62 Å²	62	25.3 Å²	25.3	33%	0.325	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.5	171.8	-167.2	74.4	0	0	0	109.1	A508 G562 A607	A508-L560 HydrophobicContact CB-CD1 3.64Å; L560-G562 WeakPolarHBondContact CD2-O 3.3Å; L560-G562 WeakPolarHBondContact CG-O 3.48Å; L560-A607 VanDerWaalsContact O-CB 3.24Å; L560-A607 WeakPolarHBondContact O-CB 3.38Å
561	L	89.6	Confident	92	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	103.8	174.4	-175.6	62.4	0	0	0	108.8	V321 L324 Y342 P344 D563 R564 I566 A607	V321-L561 HydrophobicContact CG1-CD1 3.82Å; V321-L561 HydrophobicContact CG1-CG 3.66Å; L324-L561 HydrophobicContact CB-CD2 4.2Å; L324-L561 HydrophobicContact CD1-CB 4.44Å; Y342-L561 HydrophobicContact CD1-CD2 4.13Å; Y342-L561 HydrophobicContact CE1-CD2 4.47Å; P344-L561 HydrophobicContact CG-CD2 3.5Å; P344-L561 VanDerWaalsContact CG-CD2 3.5Å; P344-L561 HydrophobicContact CG-CG 4.43Å; L561-D563 PolarHBondContact O-N 3.03Å; L561-R564 PolarHBondContact N-O 3.28Å; L561-R564 PolarHBondContact O-N 2.8Å; L561-R564 VanDerWaalsContact O-N 3.15Å; L561-I566 HydrophobicContact CB-CD1 3.63Å; L561-I566 HydrophobicContact CB-CG1 4.4Å; L561-I566 HydrophobicContact CD2-CD1 3.57Å; L561-I566 HydrophobicContact CG-CD1 4.23Å; L561-A607 HydrophobicContact CD1-CB 4.02Å
562	G	82.8	Confident	92	Very high	39 Å²	39	23.2 Å²	23.2	40%	0.402	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	-115.1	-166.1	0	0	0	0	0	110	L560	L560-G562 WeakPolarHBondContact CD2-O 3.3Å; L560-G562 WeakPolarHBondContact CG-O 3.48Å
563	D	80.1	Confident	91.7	Very high	64 Å²	64	22.6 Å²	22.6	34%	0.342	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	1.1	175.6	59.3	-19.3	0	0	0	113.2	L561	L561-D563 PolarHBondContact O-N 3.03Å
564	R	87.4	Confident	91.3	Very high	71 Å²	71	27.5 Å²	27.5	27%	0.268	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.2	-172.2	-52.8	-160.1	-70.4	-100.7	1.7	111.4	L561 E582	L561-R564 PolarHBondContact N-O 3.28Å; L561-R564 PolarHBondContact O-N 2.8Å; L561-R564 VanDerWaalsContact O-N 3.15Å; R564-E582 HydrophobicContact CB-CG 4.16Å; R564-E582 WeakPolarHBondContact CB-OE1 3.45Å; R564-E582 WeakPolarHBondContact CD-OE1 3.48Å; R564-E582 IonicContact CZ-OE1 3.64Å; R564-E582 IonicContact NE-OE1 3.21Å; R564-E582 PolarHBondContact NE-OE1 2.6Å
565	L	94.1	Very high	91.1	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.1	177.8	-175.4	169.6	0	0	0	108.4	T506 A508 Y513 L515 V567 E582 Y583 W590	T506-L565 HydrophobicContact CG2-CD1 3.62Å; T506-L565 HydrophobicContact CG2-CD2 4.18Å; T506-L565 HydrophobicContact CG2-CG 3.58Å; A508-L565 HydrophobicContact CB-CB 4.27Å; A508-L565 HydrophobicContact CB-CD1 4.23Å; Y513-L565 HydrophobicContact CD1-CD1 3.88Å; Y513-L565 HydrophobicContact CD2-CD1 3.84Å; Y513-L565 HydrophobicContact CE1-CD1 4.4Å; Y513-L565 HydrophobicContact CE2-CD1 4.38Å; Y513-L565 HydrophobicContact CG-CD1 3.57Å; L515-L565 HydrophobicContact CD1-CD2 4.22Å; L515-L565 HydrophobicContact CD2-CD2 4.49Å; L565-V567 HydrophobicContact CD2-CG2 3.66Å; L565-E582 WeakPolarHBondContact O-CA 3.39Å; L565-Y583 PolarHBondContact O-N 2.91Å; L565-W590 HydrophobicContact CD2-CH2 3.54Å; L565-W590 HydrophobicContact CD2-CZ3 3.82Å
566	I	95.8	Very high	91.1	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.6	-178.2	-56.6	178.9	0	0	0	110.2	L324 Y342 C558 A559 L561 V568 V580 L593	L324-I566 HydrophobicContact CD2-CB 4.07Å; L324-I566 HydrophobicContact CD2-CD1 4.2Å; L324-I566 HydrophobicContact CD2-CG2 3.69Å; Y342-I566 HydrophobicContact CE1-CD1 4.48Å; C558-I566 VanDerWaalsContact CA-O 3.27Å; C558-I566 WeakPolarHBondContact CA-O 3.44Å; A559-I566 PolarHBondContact N-O 3.04Å; A559-I566 VanDerWaalsContact N-O 3.15Å; A559-I566 PolarHBondContact O-N 3.11Å; L561-I566 HydrophobicContact CB-CD1 3.63Å; L561-I566 HydrophobicContact CB-CG1 4.4Å; L561-I566 HydrophobicContact CD2-CD1 3.57Å; L561-I566 HydrophobicContact CG-CD1 4.23Å; I566-V568 HydrophobicContact CG2-CG2 3.9Å; I566-V580 HydrophobicContact CG2-CG1 3.57Å; I566-L593 HydrophobicContact CD1-CD1 4.33Å; I566-L593 HydrophobicContact CG2-CD1 4.37Å
567	V	96.1	Very high	91.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.5	177.8	-173.6	0	0	0	0	109.3	L515 L549 R553 I556 L565 V580 E581 W590	L515-V567 HydrophobicContact CD1-CG2 3.87Å; L515-V567 HydrophobicContact CD2-CG2 4.15Å; L549-V567 HydrophobicContact CD2-CG1 4.46Å; L549-V567 HydrophobicContact CD2-CG2 4.35Å; R553-V567 VanDerWaalsContact CZ-CG1 3.44Å; I556-V567 HydrophobicContact CG2-CG1 3.26Å; L565-V567 HydrophobicContact CD2-CG2 3.66Å; V567-V580 CarbonylContact O-C 3.54Å; V567-V580 VanDerWaalsContact O-CA 3.24Å; V567-V580 WeakPolarHBondContact O-CA 3.48Å; V567-V580 WeakPolarHBondContact O-CG1 3.15Å; V567-E581 PolarHBondContact N-O 2.86Å; V567-E581 PolarHBondContact O-N 2.8Å; V567-W590 HydrophobicContact CB-CZ3 4.25Å; V567-W590 HydrophobicContact CG2-CE3 4.47Å; V567-W590 HydrophobicContact CG2-CH2 3.46Å; V567-W590 VanDerWaalsContact CG2-CH2 3.46Å; V567-W590 HydrophobicContact CG2-CZ3 3.4Å; V567-W590 VanDerWaalsContact CG2-CZ3 3.4Å
568	V	96.5	Very high	91.1	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.1	-168.8	-175.6	0	0	0	0	110.3	L324 A326 W349 G557 I566 V580 M596 V605	L324-V568 HydrophobicContact CD2-CG2 3.71Å; A326-V568 HydrophobicContact CB-CG1 4.31Å; W349-V568 HydrophobicContact CH2-CG1 3.98Å; W349-V568 HydrophobicContact CH2-CG2 4.17Å; W349-V568 HydrophobicContact CZ2-CG1 4.02Å; W349-V568 HydrophobicContact CZ2-CG2 4.11Å; G557-V568 PolarHBondContact N-O 2.84Å; G557-V568 VanDerWaalsContact N-O 3.16Å; G557-V568 PolarHBondContact O-N 2.99Å; I566-V568 HydrophobicContact CG2-CG2 3.9Å; V568-V580 HydrophobicContact CG1-CG2 4.16Å; V568-V580 HydrophobicContact CG2-CG1 4.19Å; V568-M596 HydrophobicContact CG1-CE 3.66Å; V568-M596 HydrophobicContact CG1-CG 4.02Å; V568-M596 HydrophobicContact CG1-SD 3.25Å; V568-M596 WeakPolarHBondContact CG1-SD 3.36Å; V568-V605 HydrophobicContact CB-CG2 3.83Å; V568-V605 HydrophobicContact CG1-CG2 4.3Å; V568-V605 HydrophobicContact CG2-CG1 4.03Å; V568-V605 HydrophobicContact CG2-CG2 4.04Å
569	G	95.1	Very high	91.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.01	20%	0.203	C	C	.	.			trans	62.8	-138.6	171.6	0	0	0	0	0	113.6	R553 L577 S579	R553-G569 WeakPolarHBondContact CD-O 3.25Å; R553-G569 PolarHBondContact NH1-O 3.45Å; G569-L577 WeakPolarHBondContact CA-O 3.35Å; G569-S579 PolarHBondContact N-O 3.48Å
570	G	93.9	Very high	91.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	20%	0.199	C	C	.	.			trans	108.3	-173.8	-174.3	0	0	0	0	0	112.4	D554 A576 L577 R600	D554-G570 CarbonylContact O-C 3.27Å; D554-G570 VanDerWaalsContact O-CA 3.26Å; D554-G570 WeakPolarHBondContact O-CA 3.41Å; G570-A576 CarbonylContact O-C 3.57Å; G570-A576 WeakPolarHBondContact O-CA 3.24Å; G570-L577 PolarHBondContact O-N 2.76Å; G570-R600 PolarHBondContact N-O 2.94Å
571	Y	91.4	Very high	91.4	Very high	73 Å²	73	35.5 Å²	35.5	29%	0.286	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-128.1	127	179.1	-175.9	-114.3	0	0	0	110	R529 R553 D554 G573 N574 H575	R529-Y571 WeakPolarHBondContact CD-O 3.4Å; R529-Y571 PolarHBondContact NE-O 2.85Å; R529-Y571 VanDerWaalsContact NH2-CD1 3.3Å; R553-Y571 VanDerWaalsContact CA-O 3.24Å; R553-Y571 WeakPolarHBondContact CA-O 3.37Å; D554-Y571 PolarHBondContact N-O 3.09Å; D554-Y571 PolarHBondContact O-N 2.77Å; D554-Y571 WeakPolarHBondContact OD1-CB 3.35Å; D554-Y571 VanDerWaalsContact OD1-O 3.07Å; Y571-G573 VanDerWaalsContact OH-C 3.3Å; Y571-G573 PolarHBondContact OH-O 2.97Å; Y571-N574 VanDerWaalsContact CE2-C 3.47Å; Y571-N574 WeakPolarHBondContact CE2-O 3.32Å; Y571-N574 PolarHBondContact OH-O 2.98Å; Y571-H575 WeakPolarHBondContact CD2-O 3.47Å
572	D	89.6	Confident	91.7	Very high	52 Å²	52	36.7 Å²	36.7	28%	0.278	19%	0.191	S	C	.	.			trans	-87.7	-5.5	-178	68.1	0.9	0	0	0	113.4	R529 N574 H575 L577	R529-D572 WeakPolarHBondContact CD-O 3.49Å; D572-N574 WeakPolarHBondContact OD1-CA 3.48Å; D572-N574 PolarHBondContact OD1-N 2.99Å; D572-H575 PolarHBondContact N-O 3.08Å; D572-H575 PolarHBondContact OD1-N 2.82Å; D572-H575 VanDerWaalsContact OD1-O 3.11Å; D572-L577 HydrophobicContact CB-CD1 4.27Å; D572-L577 HydrophobicContact CB-CD2 4.16Å; D572-L577 HydrophobicContact CB-CG 4.4Å
573	G	84.1	Confident	92.2	Very high	7 Å²	7	35.5 Å²	35.5	7%	0.072	17%	0.174	C	C	.	.	S	Bend	trans	108.4	-15.2	-174.6	0	0	0	0	0	114.6	Y571	Y571-G573 VanDerWaalsContact OH-C 3.3Å; Y571-G573 PolarHBondContact OH-O 2.97Å
574	N	84.7	Confident	92.6	Very high	103 Å²	103	34.1 Å²	34.1	55%	0.551	17%	0.167	S	C	*	.	S	Bend	trans	-120	-50.6	175.3	-64.1	-37.4	0	0	0	110.5	Y571 D572	Y571-N574 VanDerWaalsContact CE2-C 3.47Å; Y571-N574 WeakPolarHBondContact CE2-O 3.32Å; Y571-N574 PolarHBondContact OH-O 2.98Å; D572-N574 WeakPolarHBondContact OD1-CA 3.48Å; D572-N574 PolarHBondContact OD1-N 2.99Å
575	H	87.7	Confident	92.5	Very high	128 Å²	128	33.9 Å²	33.9	59%	0.593	18%	0.175	S	C	*	.	S	Bend	trans	-129.5	149.6	-172.4	-51	102	0	0	0	112.1	Y571 D572	Y571-H575 WeakPolarHBondContact CD2-O 3.47Å; D572-H575 PolarHBondContact N-O 3.08Å; D572-H575 PolarHBondContact OD1-N 2.82Å; D572-H575 VanDerWaalsContact OD1-O 3.11Å
576	A	92.5	Very high	92	Very high	25 Å²	25	40.1 Å²	40.1	21%	0.207	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-65.9	145.1	162.6	0	0	0	0	0	108.8	G570 A599 A601	G570-A576 CarbonylContact O-C 3.57Å; G570-A576 WeakPolarHBondContact O-CA 3.24Å; A576-A599 HydrophobicContact CB-CB 3.96Å; A576-A599 VanDerWaalsContact O-CB 3.28Å; A576-A599 WeakPolarHBondContact O-CB 3.4Å; A576-A601 HydrophobicContact CB-CB 4.28Å
577	L	93.8	Very high	91.6	Very high	18 Å²	18	49.4 Å²	49.4	9%	0.094	25%	0.248	C	C	.	.			trans	-101.1	148.8	-176.3	-61.3	175.4	0	0	0	111.2	L551 R553 G569 G570 D572 A599 R600	L551-L577 HydrophobicContact CD1-CD2 4.48Å; R553-L577 HydrophobicContact CB-CD1 3.9Å; R553-L577 HydrophobicContact CG-CD1 4.39Å; G569-L577 WeakPolarHBondContact CA-O 3.35Å; G570-L577 PolarHBondContact O-N 2.76Å; D572-L577 HydrophobicContact CB-CD1 4.27Å; D572-L577 HydrophobicContact CB-CD2 4.16Å; D572-L577 HydrophobicContact CB-CG 4.4Å; L577-A599 WeakPolarHBondContact O-CA 3.25Å; L577-R600 PolarHBondContact O-N 2.72Å
578	K	95.1	Very high	91.3	Very high	118 Å²	118	53 Å²	53	51%	0.513	27%	0.267	S	S	.	.			trans	-105.9	-3.9	169	65.1	177.4	-177.6	177.3	0	113	P595 M596 A599	K578-P595 HydrophobicContact CB-CB 4.34Å; K578-P595 HydrophobicContact CD-CB 4.08Å; K578-P595 HydrophobicContact CG-CB 3.95Å; K578-P595 CarbonylContact O-C 3.58Å; K578-P595 VanDerWaalsContact O-CA 3.27Å; K578-P595 WeakPolarHBondContact O-CA 3.45Å; K578-P595 WeakPolarHBondContact O-CB 3.48Å; K578-M596 HydrophobicContact CB-CB 4.39Å; K578-M596 PolarHBondContact O-N 2.66Å; K578-A599 HydrophobicContact CB-CB 4.38Å
579	S	95.7	Very high	91.1	Very high	22 Å²	22	54 Å²	54	15%	0.154	28%	0.277	C	S	.	.			trans	-66.8	142.5	-175.9	54.9	0	0	0	0	111.3	G569	G569-S579 PolarHBondContact N-O 3.48Å
580	V	97.1	Very high	91.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.1	176.3	-176	0	0	0	0	107.6	W349 I566 V567 V568 L593 M596	W349-V580 HydrophobicContact CZ2-CG1 4.36Å; W349-V580 HydrophobicContact CZ2-CG2 3.9Å; I566-V580 HydrophobicContact CG2-CG1 3.57Å; V567-V580 CarbonylContact O-C 3.54Å; V567-V580 VanDerWaalsContact O-CA 3.24Å; V567-V580 WeakPolarHBondContact O-CA 3.48Å; V567-V580 WeakPolarHBondContact O-CG1 3.15Å; V568-V580 HydrophobicContact CG1-CG2 4.16Å; V568-V580 HydrophobicContact CG2-CG1 4.19Å; V580-L593 HydrophobicContact CB-CB 4.16Å; V580-L593 HydrophobicContact CG1-CB 3.99Å; V580-L593 HydrophobicContact CG1-CD1 4.09Å; V580-L593 PolarHBondContact O-N 3.39Å; V580-M596 HydrophobicContact CG2-CG 4.14Å
581	E	96.1	Very high	91.2	Very high	11 Å²	11	59 Å²	59	5%	0.051	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.6	-177	-66.9	174.6	-113.2	0	0	109.3	A550 R553 V567 W590 N591	A550-E581 PolarHBondContact N-OE2 2.78Å; A550-E581 VanDerWaalsContact N-OE2 3.07Å; R553-E581 IonicContact CZ-OE1 2.76Å; R553-E581 VanDerWaalsContact CZ-OE1 3.28Å; R553-E581 IonicContact NE-OE1 3.24Å; R553-E581 IonicContact NH1-OE1 3.2Å; R553-E581 IonicContact NH2-OE1 2.97Å; R553-E581 PolarHBondContact NH2-OE1 2.82Å; V567-E581 PolarHBondContact N-O 2.86Å; V567-E581 PolarHBondContact O-N 2.8Å; E581-W590 HydrophobicContact CB-CB 4.48Å; E581-W590 HydrophobicContact CB-CD2 4.49Å; E581-W590 HydrophobicContact CB-CE3 3.79Å; E581-W590 HydrophobicContact CB-CZ3 4.45Å; E581-N591 CarbonylContact C-O 3.59Å; E581-N591 WeakPolarHBondContact CA-O 3.36Å
582	E	95.5	Very high	91.4	Very high	29 Å²	29	63.1 Å²	63.1	14%	0.136	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.9	175.5	178.2	178.4	-112.2	0	0	110.2	R564 L565 W590 N591 L593	R564-E582 HydrophobicContact CB-CG 4.16Å; R564-E582 WeakPolarHBondContact CB-OE1 3.45Å; R564-E582 WeakPolarHBondContact CD-OE1 3.48Å; R564-E582 IonicContact CZ-OE1 3.64Å; R564-E582 IonicContact NE-OE1 3.21Å; R564-E582 PolarHBondContact NE-OE1 2.6Å; L565-E582 WeakPolarHBondContact O-CA 3.39Å; E582-W590 VanDerWaalsContact C-CE3 3.48Å; E582-W590 CarbonylContact O-C 3.54Å; E582-W590 WeakPolarHBondContact O-CA 3.4Å; E582-N591 PolarHBondContact N-O 3.43Å; E582-N591 PolarHBondContact O-N 2.82Å; E582-L593 HydrophobicContact CB-CD1 3.79Å; E582-L593 HydrophobicContact CB-CD2 4.28Å; E582-L593 HydrophobicContact CB-CG 3.93Å
583	Y	94.6	Very high	91.7	Very high	14 Å²	14	61.7 Å²	61.7	6%	0.055	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.4	178.1	-175.7	-125.2	0	0	0	111.3	Y513 I546 C547 L565 P585 N588 G589 W590	Y513-Y583 HydrophobicContact CE1-CD1 4.25Å; Y513-Y583 AromaticContact CE1-CE1 3.86Å; Y513-Y583 HydrophobicContact CE1-CE1 3.86Å; I546-Y583 HydrophobicContact CD1-CE1 4.26Å; I546-Y583 HydrophobicContact CD1-CE2 4.05Å; C547-Y583 VanDerWaalsContact SG-CE2 3.53Å; L565-Y583 PolarHBondContact O-N 2.91Å; Y583-P585 HydrophobicContact CD1-CB 4.34Å; Y583-P585 HydrophobicContact CE1-CB 3.91Å; Y583-P585 WeakPolarHBondContact O-CD 3.2Å; Y583-N588 PolarHBondContact OH-OD1 2.83Å; Y583-G589 WeakPolarHBondContact CD2-O 3.38Å; Y583-W590 HydrophobicContact CD2-CD2 4.2Å; Y583-W590 AromaticContact CD2-CE2 3.91Å; Y583-W590 HydrophobicContact CD2-CH2 4.47Å; Y583-W590 HydrophobicContact CD2-CZ2 4.05Å; Y583-W590 HydrophobicContact CG-CH2 4.32Å; Y583-W590 HydrophobicContact CG-CZ2 4.31Å
584	D	88.6	Confident	92.2	Very high	35 Å²	35	62.2 Å²	62.2	19%	0.187	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	106.4	167	-177.1	-22.3	0	0	0	109.5	V586 R587 N588 G589	D584-V586 VanDerWaalsContact C-N 3.28Å; D584-V586 PolarHBondContact O-N 3.22Å; D584-V586 WeakPolarHBondContact OD1-CA 3.17Å; D584-V586 WeakPolarHBondContact OD1-CB 3.47Å; D584-V586 PolarHBondContact OD1-N 3.25Å; D584-R587 HydrophobicContact CB-CB 4.38Å; D584-R587 PolarHBondContact OD1-N 3.33Å; D584-R587 WeakPolarHBondContact OD2-CD 3.18Å; D584-R587 VanDerWaalsContact OD2-CG 3.23Å; D584-R587 WeakPolarHBondContact OD2-CG 3.47Å; D584-N588 VanDerWaalsContact O-CA 3.27Å; D584-N588 WeakPolarHBondContact O-CA 3.5Å; D584-N588 PolarHBondContact O-N 2.87Å; D584-G589 PolarHBondContact N-O 3.06Å; D584-G589 PolarHBondContact O-N 3.44Å
585	P	83.8	Confident	92.8	Very high	66 Å²	66	60.2 Å²	60.2	43%	0.429	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-20.3	-179.1	29.7	-35.3	0	0	0	113.5	Y583	Y583-P585 HydrophobicContact CD1-CB 4.34Å; Y583-P585 HydrophobicContact CE1-CB 3.91Å; Y583-P585 WeakPolarHBondContact O-CD 3.2Å
586	V	83.9	Confident	93.1	Very high	135 Å²	135	54.3 Å²	54.3	82%	0.818	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-47	-179.5	-179.8	0	0	0	0	109.8	D584 N588	D584-V586 VanDerWaalsContact C-N 3.28Å; D584-V586 PolarHBondContact O-N 3.22Å; D584-V586 WeakPolarHBondContact OD1-CA 3.17Å; D584-V586 WeakPolarHBondContact OD1-CB 3.47Å; D584-V586 PolarHBondContact OD1-N 3.25Å; V586-N588 VanDerWaalsContact C-N 3.31Å
587	R	87.2	Confident	93.1	Very high	198 Å²	198	56.1 Å²	56.1	75%	0.747	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-12.7	178.8	-60.2	177.6	83.1	165.1	2.9	112.7	D584 G589	D584-R587 HydrophobicContact CB-CB 4.38Å; D584-R587 PolarHBondContact OD1-N 3.33Å; D584-R587 WeakPolarHBondContact OD2-CD 3.18Å; D584-R587 VanDerWaalsContact OD2-CG 3.23Å; D584-R587 WeakPolarHBondContact OD2-CG 3.47Å; R587-G589 VanDerWaalsContact C-N 3.34Å
588	N	89.8	Confident	92.9	Very high	76 Å²	76	60.1 Å²	60.1	41%	0.406	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	59.2	-168	-175.5	38.6	0	0	0	110.2	C547 Y583 D584 V586	C547-N588 WeakPolarHBondContact CB-O 3.44Å; C547-N588 PolarHBondContact N-OD1 2.7Å; C547-N588 PolarHBondContact SG-O 2.85Å; Y583-N588 PolarHBondContact OH-OD1 2.83Å; D584-N588 VanDerWaalsContact O-CA 3.27Å; D584-N588 WeakPolarHBondContact O-CA 3.5Å; D584-N588 PolarHBondContact O-N 2.87Å; V586-N588 VanDerWaalsContact C-N 3.31Å
589	G	94	Very high	92.8	Very high	21 Å²	21	56.1 Å²	56.1	22%	0.216	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	164.9	-176.8	0	0	0	0	0	112	C547 Y583 D584 R587	C547-G589 VanDerWaalsContact SG-CA 3.58Å; Y583-G589 WeakPolarHBondContact CD2-O 3.38Å; D584-G589 PolarHBondContact N-O 3.06Å; D584-G589 PolarHBondContact O-N 3.44Å; R587-G589 VanDerWaalsContact C-N 3.34Å
590	W	95.2	Very high	92.6	Very high	40 Å²	40	55.1 Å²	55.1	15%	0.152	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130	176.5	-67.2	96.4	0	0	0	110.1	L515 V533 C547 L549 L565 V567 E581 E582 Y583	L515-W590 HydrophobicContact CD2-CH2 3.67Å; L515-W590 HydrophobicContact CD2-CZ2 3.78Å; V533-W590 HydrophobicContact CG1-CZ2 4.44Å; V533-W590 HydrophobicContact CG2-CZ2 4.02Å; C547-W590 PolarHBondContact O-NE1 3.38Å; C547-W590 PolarHBondContact SG-NE1 3.48Å; C547-W590 VanDerWaalsContact SG-NE1 3.39Å; L549-W590 HydrophobicContact CD2-CD2 3.87Å; L549-W590 HydrophobicContact CD2-CE3 4.17Å; L549-W590 HydrophobicContact CD2-CG 4.49Å; L549-W590 HydrophobicContact CD2-CH2 3.93Å; L549-W590 HydrophobicContact CD2-CZ2 3.63Å; L549-W590 HydrophobicContact CD2-CZ3 4.2Å; L565-W590 HydrophobicContact CD2-CH2 3.54Å; L565-W590 HydrophobicContact CD2-CZ3 3.82Å; V567-W590 HydrophobicContact CB-CZ3 4.25Å; V567-W590 HydrophobicContact CG2-CE3 4.47Å; V567-W590 HydrophobicContact CG2-CH2 3.46Å; V567-W590 VanDerWaalsContact CG2-CH2 3.46Å; V567-W590 HydrophobicContact CG2-CZ3 3.4Å; V567-W590 VanDerWaalsContact CG2-CZ3 3.4Å; E581-W590 HydrophobicContact CB-CB 4.48Å; E581-W590 HydrophobicContact CB-CD2 4.49Å; E581-W590 HydrophobicContact CB-CE3 3.79Å; E581-W590 HydrophobicContact CB-CZ3 4.45Å; E582-W590 VanDerWaalsContact C-CE3 3.48Å; E582-W590 CarbonylContact O-C 3.54Å; E582-W590 WeakPolarHBondContact O-CA 3.4Å; Y583-W590 HydrophobicContact CD2-CD2 4.2Å; Y583-W590 AromaticContact CD2-CE2 3.91Å; Y583-W590 HydrophobicContact CD2-CH2 4.47Å; Y583-W590 HydrophobicContact CD2-CZ2 4.05Å; Y583-W590 HydrophobicContact CG-CH2 4.32Å; Y583-W590 HydrophobicContact CG-CZ2 4.31Å
591	N	95.1	Very high	92.4	Very high	67 Å²	67	55.8 Å²	55.8	36%	0.358	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.9	173.6	-62	-41.9	0	0	0	109.4	E581 E582	E581-N591 CarbonylContact C-O 3.59Å; E581-N591 WeakPolarHBondContact CA-O 3.36Å; E582-N591 PolarHBondContact N-O 3.43Å; E582-N591 PolarHBondContact O-N 2.82Å
592	E	95.6	Very high	92.1	Very high	161 Å²	161	56.5 Å²	56.5	75%	0.752	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	129	174.2	-170.2	173.3	-171	0	0	109.9
593	L	95.9	Very high	92	Very high	22 Å²	22	55.5 Å²	55.5	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	169.5	172.2	-63.6	-176.7	0	0	0	110.2	Y342 I566 V580 E582	Y342-L593 HydrophobicContact CE1-CD1 4.2Å; I566-L593 HydrophobicContact CD1-CD1 4.33Å; I566-L593 HydrophobicContact CG2-CD1 4.37Å; V580-L593 HydrophobicContact CB-CB 4.16Å; V580-L593 HydrophobicContact CG1-CB 3.99Å; V580-L593 HydrophobicContact CG1-CD1 4.09Å; V580-L593 PolarHBondContact O-N 3.39Å; E582-L593 HydrophobicContact CB-CD1 3.79Å; E582-L593 HydrophobicContact CB-CD2 4.28Å; E582-L593 HydrophobicContact CB-CG 3.93Å
594	A	95.5	Very high	92	Very high	18 Å²	18	55.9 Å²	55.9	15%	0.149	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-53.7	132.9	176.5	0	0	0	0	0	112	D347 W349	D347-A594 WeakPolarHBondContact O-CB 3.4Å; D347-A594 WeakPolarHBondContact OD1-CB 3.39Å; D347-A594 PolarHBondContact OD1-N 3.38Å; D347-A594 PolarHBondContact OD2-N 2.72Å; W349-A594 PolarHBondContact NE1-O 2.86Å
595	P	96.1	Very high	92.4	Very high	60 Å²	60	54.9 Å²	54.9	39%	0.39	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-71.3	154.9	-178.1	29.5	-35.3	0	0	0	111.2	W349 K578	W349-P595 VanDerWaalsContact CD1-O 3.29Å; K578-P595 HydrophobicContact CB-CB 4.34Å; K578-P595 HydrophobicContact CD-CB 4.08Å; K578-P595 HydrophobicContact CG-CB 3.95Å; K578-P595 CarbonylContact O-C 3.58Å; K578-P595 VanDerWaalsContact O-CA 3.27Å; K578-P595 WeakPolarHBondContact O-CA 3.45Å; K578-P595 WeakPolarHBondContact O-CB 3.48Å
596	M	95.1	Very high	92.9	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.02	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-61	155.1	169.3	-66.4	-176.3	-68.3	0	0	111	A326 W349 V568 K578 V580 F598 R600	A326-M596 HydrophobicContact CB-SD 3.94Å; W349-M596 HydrophobicContact CD2-CG 3.87Å; W349-M596 HydrophobicContact CE3-CG 4.22Å; W349-M596 HydrophobicContact CG-CG 4.28Å; W349-M596 HydrophobicContact CH2-CG 4.37Å; W349-M596 HydrophobicContact CZ2-CG 4.05Å; W349-M596 HydrophobicContact CZ3-CG 4.46Å; V568-M596 HydrophobicContact CG1-CE 3.66Å; V568-M596 HydrophobicContact CG1-CG 4.02Å; V568-M596 HydrophobicContact CG1-SD 3.25Å; V568-M596 WeakPolarHBondContact CG1-SD 3.36Å; K578-M596 HydrophobicContact CB-CB 4.39Å; K578-M596 PolarHBondContact O-N 2.66Å; V580-M596 HydrophobicContact CG2-CG 4.14Å; M596-F598 VanDerWaalsContact C-N 3.27Å; M596-F598 WeakPolarHBondContact CB-O 3.29Å; M596-R600 HydrophobicContact CE-CB 4.13Å; M596-R600 HydrophobicContact CE-CG 4.4Å
597	A	91.4	Very high	93.3	Very high	63 Å²	63	47.6 Å²	47.6	52%	0.521	27%	0.267	S	S	.	.	S	Bend	trans	-67.4	-34.9	172.7	0	0	0	0	0	110.9	E340	E340-A597 VanDerWaalsContact OE2-CB 3.25Å; E340-A597 WeakPolarHBondContact OE2-CB 3.38Å; E340-A597 PolarHBondContact OE2-N 3.21Å
598	F	89.9	Confident	93.4	Very high	103 Å²	103	38.9 Å²	38.9	45%	0.452	24%	0.235	S	C	.	.	S	Bend	trans	-120.9	138.1	179.1	-54.4	-77.6	0	0	0	111.5	E340 M596	E340-F598 WeakPolarHBondContact OE1-CD2 3.42Å; E340-F598 PolarHBondContact OE1-N 2.95Å; M596-F598 VanDerWaalsContact C-N 3.27Å; M596-F598 WeakPolarHBondContact CB-O 3.29Å
599	A	92.1	Very high	92.8	Very high	34 Å²	34	38.7 Å²	38.7	28%	0.281	24%	0.238	S	C	.	.			trans	-71.1	135.4	173.4	0	0	0	0	0	111.1	A576 L577 K578	A576-A599 HydrophobicContact CB-CB 3.96Å; A576-A599 VanDerWaalsContact O-CB 3.28Å; A576-A599 WeakPolarHBondContact O-CB 3.4Å; L577-A599 WeakPolarHBondContact O-CA 3.25Å; K578-A599 HydrophobicContact CB-CB 4.38Å
600	R	92.6	Very high	91.6	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	24%	0.237	C	C	.	.			trans	-141.9	134.4	-174.7	-61.1	169.6	-174.3	-93	-2.5	111.8	G328 M330 A336 S338 E340 G570 L577 M596 A603	G328-R600 WeakPolarHBondContact O-CD 3.44Å; G328-R600 PolarHBondContact O-NH1 3.37Å; M330-R600 WeakPolarHBondContact O-CA 3.16Å; A336-R600 VanDerWaalsContact CB-NH1 3.35Å; S338-R600 PolarHBondContact O-NH1 2.88Å; S338-R600 PolarHBondContact O-NH2 2.82Å; S338-R600 PolarHBondContact OG-NH2 2.77Å; E340-R600 IonicContact OE1-CZ 3.77Å; E340-R600 VanDerWaalsContact OE1-CZ 3.24Å; E340-R600 IonicContact OE1-NE 3.85Å; E340-R600 PolarHBondContact OE1-NE 3.35Å; E340-R600 IonicContact OE1-NH2 2.72Å; E340-R600 PolarHBondContact OE1-NH2 2.87Å; G570-R600 PolarHBondContact N-O 2.94Å; L577-R600 PolarHBondContact O-N 2.72Å; M596-R600 HydrophobicContact CE-CB 4.13Å; M596-R600 HydrophobicContact CE-CG 4.4Å; R600-A603 HydrophobicContact CB-CB 4Å
601	A	92.3	Very high	89.8	Confident	13 Å²	13	40.7 Å²	40.7	11%	0.107	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-115.3	132.2	168.1	0	0	0	0	0	110.9	G329 M330 A555 A576 A603	G329-A601 CarbonylContact C-O 3.54Å; G329-A601 WeakPolarHBondContact CA-O 3.44Å; M330-A601 HydrophobicContact CB-CB 4.48Å; M330-A601 PolarHBondContact N-O 2.81Å; M330-A601 PolarHBondContact O-N 2.73Å; A555-A601 HydrophobicContact CB-CB 4.44Å; A576-A601 HydrophobicContact CB-CB 4.28Å; A601-A603 VanDerWaalsContact C-N 3.31Å; A601-A603 PolarHBondContact O-N 2.9Å
602	G	90.4	Very high	87.3	Confident	27 Å²	27	41.9 Å²	41.9	28%	0.278	26%	0.255	S	S	.	.	S	Bend	trans	68.7	28.6	-178.5	0	0	0	0	0	113.6	A555	A555-G602 WeakPolarHBondContact O-CA 3.47Å; A555-G602 PolarHBondContact O-N 3.17Å
603	A	92.9	Very high	84.4	Confident	8 Å²	8	37.1 Å²	37.1	7%	0.066	24%	0.238	C	C	.	.			trans	-70.2	138.9	169.1	0	0	0	0	0	109.5	R600 A601	R600-A603 HydrophobicContact CB-CB 4Å; A601-A603 VanDerWaalsContact C-N 3.31Å; A601-A603 PolarHBondContact O-N 2.9Å
604	C	95.1	Very high	81.3	Confident	21 Å²	21	41.5 Å²	41.5	14%	0.142	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.3	169.3	-67.5	0	0	0	0	108.6	V327 F362 A364	V327-C604 HydrophobicContact CB-CB 4.38Å; V327-C604 PolarHBondContact N-O 2.85Å; V327-C604 PolarHBondContact O-N 2.9Å; F362-C604 HydrophobicContact CE2-CB 4.04Å; F362-C604 PolarHBondContact O-SG 3.12Å; A364-C604 HydrophobicContact CB-CB 3.49Å; A364-C604 VanDerWaalsContact CB-CB 3.49Å
605	V	95.9	Very high	78.2	Confident	15 Å²	15	44.8 Å²	44.8	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.4	179.9	179.6	0	0	0	0	108.4	L324 L325 G557 A559 V568	L324-V605 HydrophobicContact CD1-CG1 3.59Å; L324-V605 HydrophobicContact CD2-CG1 3.71Å; L324-V605 HydrophobicContact CG-CG1 3.57Å; L325-V605 VanDerWaalsContact O-CA 3.29Å; L325-V605 WeakPolarHBondContact O-CA 3.38Å; G557-V605 VanDerWaalsContact CA-CG2 3.46Å; A559-V605 HydrophobicContact CB-CB 4.47Å; A559-V605 HydrophobicContact CB-CG1 3.86Å; V568-V605 HydrophobicContact CB-CG2 3.83Å; V568-V605 HydrophobicContact CG1-CG2 4.3Å; V568-V605 HydrophobicContact CG2-CG1 4.03Å; V568-V605 HydrophobicContact CG2-CG2 4.04Å
606	V	94.8	Very high	75.1	Confident	12 Å²	12	46.3 Å²	46.3	7%	0.073	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.3	-179	-64.2	0	0	0	0	110	L325 V327 A364 V366 L371	L325-V606 HydrophobicContact CB-CG2 3.93Å; L325-V606 HydrophobicContact CD1-CG2 4.36Å; L325-V606 PolarHBondContact N-O 3Å; L325-V606 PolarHBondContact O-N 2.55Å; V327-V606 HydrophobicContact CG2-CG2 4.41Å; A364-V606 HydrophobicContact CB-CG1 4.33Å; V366-V606 HydrophobicContact CG2-CB 3.93Å; V366-V606 HydrophobicContact CG2-CG2 3.94Å; L371-V606 HydrophobicContact CD1-CG2 3.85Å
607	A	92.6	Very high	71.9	Confident	35 Å²	35	55 Å²	55	29%	0.289	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	134.4	170.4	0	0	0	0	0	109.4	R323 L324 L560 L561	R323-A607 WeakPolarHBondContact O-CA 3.24Å; L324-A607 HydrophobicContact CD1-CB 4.3Å; L560-A607 VanDerWaalsContact O-CB 3.24Å; L560-A607 WeakPolarHBondContact O-CB 3.38Å; L561-A607 HydrophobicContact CD1-CB 4.02Å
608	I	89.2	Confident	68.9	Low	16 Å²	16	60.4 Å²	60.4	8%	0.082	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.5	169.1	57.4	166.8	0	0	0	108.9	G322 R323 L325 V366 L391	G322-I608 CarbonylContact C-O 3.58Å; G322-I608 VanDerWaalsContact CA-O 3.3Å; G322-I608 WeakPolarHBondContact CA-O 3.23Å; R323-I608 HydrophobicContact CB-CD1 4.24Å; R323-I608 HydrophobicContact CB-CG1 3.9Å; R323-I608 PolarHBondContact N-O 2.68Å; R323-I608 WeakPolarHBondContact O-CG1 3.49Å; R323-I608 PolarHBondContact O-N 2.98Å; L325-I608 HydrophobicContact CD1-CD1 4.04Å; L325-I608 HydrophobicContact CD1-CG1 4.36Å; L325-I608 HydrophobicContact CD1-CG2 3.85Å; L325-I608 HydrophobicContact CD2-CD1 4.13Å; L325-I608 HydrophobicContact CG-CD1 4.11Å; L325-I608 HydrophobicContact CG-CG1 4.19Å; L325-I608 HydrophobicContact CG-CG2 4.34Å; V366-I608 HydrophobicContact CG2-CG2 3.86Å; L391-I608 HydrophobicContact CD1-CB 4.38Å; L391-I608 HydrophobicContact CD1-CG2 3.79Å; L391-I608 HydrophobicContact CD2-CG2 4.49Å
609	P	76.9	Confident	66.1	Low	71 Å²	71	60.7 Å²	60.7	46%	0.461	38%	0.379	S	S	.	.			trans	-60.8	159.3	173.4	21.5	-27.4	0	0	0	110.8	V611	P609-V611 HydrophobicContact CB-CG2 4.28Å; P609-V611 HydrophobicContact CG-CG2 3.96Å; P609-V611 PolarHBondContact O-N 3.06Å
610	N	70.1	Confident	63.2	Low	35 Å²	35	64.5 Å²	64.5	19%	0.187	40%	0.401	C	S	.	.			trans	-73.8	64.8	174.4	-165.8	42.8	0	0	0	110.4	S319 I612	S319-N610 VanDerWaalsContact O-CG 3.23Å; S319-N610 PolarHBondContact O-ND2 3.35Å; N610-I612 PolarHBondContact O-N 3.25Å; N610-I612 VanDerWaalsContact O-N 3.17Å
611	V	55.6	Low	60.3	Low	68 Å²	68	70 Å²	70	41%	0.412	44%	0.437	S	S	.	.			trans	-80	96.5	167.2	-171.9	0	0	0	0	105.2	P609 P613	P609-V611 HydrophobicContact CB-CG2 4.28Å; P609-V611 HydrophobicContact CG-CG2 3.96Å; P609-V611 PolarHBondContact O-N 3.06Å; V611-P613 WeakPolarHBondContact O-CD 3.48Å
612	I	43.9	Very low	57.5	Low	93 Å²	93	74.3 Å²	74.3	48%	0.477	47%	0.467	S	S	.	.			trans	-65.7	113.2	158.7	-61.8	173.7	0	0	0	103.5	P235 N610 P614	P235-I612 HydrophobicContact CB-CD1 3.88Å; P235-I612 HydrophobicContact CG-CD1 4.1Å; N610-I612 PolarHBondContact O-N 3.25Å; N610-I612 VanDerWaalsContact O-N 3.17Å; I612-P614 VanDerWaalsContact O-N 3.14Å
613	P	35.3	Very low	54.7	Low	61 Å²	61	77.8 Å²	77.8	40%	0.396	49%	0.492	S	S	.	.			trans	-53	129.5	169.4	-16.5	29.2	0	0	0	105.3	V611 A615	V611-P613 WeakPolarHBondContact O-CD 3.48Å; P613-A615 PolarHBondContact O-N 2.73Å
614	P	30.7	Very low	51.8	Low	113 Å²	113	83 Å²	83	73%	0.734	52%	0.524	S	S	*	.			trans	-49.1	119.6	175.4	19.3	-29.6	0	0	0	105.7	I612 A616	I612-P614 VanDerWaalsContact O-N 3.14Å; P614-A616 PolarHBondContact O-N 3.15Å
615	A	30.1	Very low	48.6	Very low	87 Å²	87	91.3 Å²	91.3	72%	0.719	56%	0.557	S	S	*	*			trans	-45.2	118.7	179.7	0	0	0	0	0	105.2	P613 Q617	P613-A615 PolarHBondContact O-N 2.73Å; A615-Q617 PolarHBondContact O-N 2.74Å
616	A	30.1	Very low	45.2	Very low	93 Å²	93	102.5 Å²	102.5	77%	0.769	60%	0.598	S	S	*	*			trans	-44.3	111.3	-177.5	0	0	0	0	0	105.3	P614 Q618	P614-A616 PolarHBondContact O-N 3.15Å; A616-Q618 VanDerWaalsContact C-N 3.32Å; A616-Q618 PolarHBondContact O-N 3.01Å
617	Q	28.1	Very low	42.1	Very low	186 Å²	186	111 Å²	111	87%	0.869	63%	0.634	S	S	*	*			trans	-51.8	110.4	-175.9	-78.1	175.9	-11	0	0	103.8	A615 P619	A615-Q617 PolarHBondContact O-N 2.74Å; Q617-P619 WeakPolarHBondContact O-CD 3.22Å
618	Q	29.1	Very low	39	Very low	177 Å²	177	114.6 Å²	114.6	83%	0.827	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-54.5	125	170.2	-79.2	-171.5	-18.6	0	0	103.2	A616 P620	A616-Q618 VanDerWaalsContact C-N 3.32Å; A616-Q618 PolarHBondContact O-N 3.01Å; Q618-P620 VanDerWaalsContact O-N 3.16Å
619	P	30.1	Very low	36.1	Very low	108 Å²	108	120.5 Å²	120.5	70%	0.701	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-49.2	134.1	176.5	20.2	-30.5	0	0	0	106.1	Q617 P621	Q617-P619 WeakPolarHBondContact O-CD 3.22Å; P619-P621 VanDerWaalsContact O-N 3.13Å
620	P	31.3	Very low	33.8	Very low	114 Å²	114	127.9 Å²	127.9	74%	0.74	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-46.6	130.2	-177.3	19.3	-31.8	0	0	0	106.9	Q618 S622	Q618-P620 VanDerWaalsContact O-N 3.16Å; P620-S622 PolarHBondContact O-N 3.13Å
621	P	32.2	Very low	31.8	Very low	117 Å²	117	133.9 Å²	133.9	76%	0.76	74%	0.741	S	S	*	*			trans	-49.8	110.8	-175.1	16.8	-29.2	0	0	0	106.8	P619 A623	P619-P621 VanDerWaalsContact O-N 3.13Å; P621-A623 PolarHBondContact O-N 3.04Å
622	S	33.1	Very low	30.5	Very low	104 Å²	104	138.4 Å²	138.4	73%	0.727	76%	0.763	S	S	*	*			trans	-55.7	121.5	176.2	50.9	0	0	0	0	104.4	P620 T624	P620-S622 PolarHBondContact O-N 3.13Å; S622-T624 VanDerWaalsContact C-N 3.3Å; S622-T624 PolarHBondContact O-N 2.82Å
623	A	31.8	Very low	29.9	Very low	99 Å²	99	139.7 Å²	139.7	82%	0.818	78%	0.777	S	S	*	*			trans	-43	98.3	-172.2	0	0	0	0	0	109.5	P621 K625	P621-A623 PolarHBondContact O-N 3.04Å; A623-K625 PolarHBondContact O-N 3.31Å
624	T	31.5	Very low	29.7	Very low	119 Å²	119	144.3 Å²	144.3	73%	0.73	80%	0.797	S	S	*	*			trans	-69	98.4	176.9	-0.4	0	0	0	0	102.9	S622 W626	S622-T624 VanDerWaalsContact C-N 3.3Å; S622-T624 PolarHBondContact O-N 2.82Å; T624-W626 VanDerWaalsContact C-N 3.32Å; T624-W626 PolarHBondContact O-N 2.93Å
625	K	29	Very low	29.7	Very low	194 Å²	194	143.6 Å²	143.6	84%	0.843	79%	0.794	S	S	*	*			trans	-48.7	108.1	164.6	-86	-177.3	175	178.4	0	105.7	A623 K627	A623-K625 PolarHBondContact O-N 3.31Å; K625-K627 PolarHBondContact O-N 3.39Å
626	W	24.8	Very low	29.6	Very low	250 Å²	250	149.2 Å²	149.2	95%	0.947	80%	0.797	S	S	*	*			trans	-44.5	109.2	166.9	-85.7	62.4	0	0	0	107.5	T624 P628	T624-W626 VanDerWaalsContact C-N 3.32Å; T624-W626 PolarHBondContact O-N 2.93Å; W626-P628 WeakPolarHBondContact O-CD 3.42Å
627	K	28	Very low	29.7	Very low	192 Å²	192	151.4 Å²	151.4	84%	0.835	80%	0.796	S	S	*	*			trans	-85.8	116.3	164.5	-79.7	-172.1	177.6	-179.4	0	105.9	K625 V629	K625-K627 PolarHBondContact O-N 3.39Å; K627-V629 PolarHBondContact O-N 3.33Å
628	P	28	Very low	29.8	Very low	109 Å²	109	154.1 Å²	154.1	71%	0.708	80%	0.799	S	S	*	*			trans	-65.1	126.7	174.9	25.3	-29.6	0	0	0	108.5	W626 R630	W626-P628 WeakPolarHBondContact O-CD 3.42Å; P628-R630 PolarHBondContact O-N 3.14Å; P628-R630 VanDerWaalsContact O-N 3.07Å
629	V	29.5	Very low	30	Very low	140 Å²	140	157.3 Å²	157.3	85%	0.848	80%	0.803	S	S	*	*			trans	-62.5	106.1	166.8	177.1	0	0	0	0	106.7	K627	K627-V629 PolarHBondContact O-N 3.33Å
630	R	27.3	Very low	30.1	Very low	226 Å²	226	158.1 Å²	158.1	85%	0.853	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.7	117.3	167.4	-86	-173.5	175.3	-175.8	-1.7	107.7	P628 D632	P628-R630 PolarHBondContact O-N 3.14Å; P628-R630 VanDerWaalsContact O-N 3.07Å; R630-D632 PolarHBondContact O-N 3Å
631	L	28.8	Very low	29.9	Very low	162 Å²	162	164.1 Å²	164.1	85%	0.848	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-54.7	125.3	160.6	-75.3	149.8	0	0	0	108.6	P633	L631-P633 VanDerWaalsContact O-CD 3.28Å; L631-P633 WeakPolarHBondContact O-CD 3.42Å
632	D	28.1	Very low	29.6	Very low	163 Å²	163	164.4 Å²	164.4	87%	0.872	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-69.9	126.4	173.2	-83.6	-35.3	0	0	0	110.6	R630	R630-D632 PolarHBondContact O-N 3Å
633	P	31.3	Very low	29.4	Very low	119 Å²	119	165 Å²	165	77%	0.773	82%	0.818	S	S	*	*			trans	-104.1	121	159.9	11.9	10.5	0	0	0	109.6	L631 C635	L631-P633 VanDerWaalsContact O-CD 3.28Å; L631-P633 WeakPolarHBondContact O-CD 3.42Å; P633-C635 PolarHBondContact O-N 2.95Å
634	I	31.5	Very low	29.2	Very low	159 Å²	159	169.5 Å²	169.5	82%	0.815	82%	0.822	S	S	*	*			trans	-29.8	124.9	156.6	-55.2	166.1	0	0	0	111.8
635	C	29.3	Very low	29.1	Very low	98 Å²	98	173 Å²	173	66%	0.662	83%	0.828	S	S	*	*				157.7	125.2	128.3	-88.4	0	0	0	0	113.7	P633	P633-C635 PolarHBondContact O-N 2.95Å
636	Y	28.9	Very low	29.1	Very low	204 Å²	204	170.3 Å²	170.3	80%	0.8	83%	0.827	S	S	*	*			trans	60.1	108.3	137.1	-79.7	-95.7	0	0	0	120.9
637	N	32	Very low	29.4	Very low	140 Å²	140	165 Å²	165	75%	0.749	82%	0.817	S	S	*	*				27.7	110.5	122.2	-75.6	-22.4	0	0	0	117.1
638	R	29.4	Very low	29.5	Very low	242 Å²	242	165.5 Å²	165.5	91%	0.913	82%	0.816	S	S	*	*				172.9	126.2	119.1	-94.2	163.7	-175.1	-159.7	2.4	111
639	R	33.5	Very low	29.6	Very low	245 Å²	245	169.2 Å²	169.2	93%	0.925	82%	0.817	S	S	*	*			trans	-66.6	149.4	153.7	-69.2	-179.5	176.6	-178.5	-1.5	108.8
640	P	33	Very low	29.9	Very low	124 Å²	124	169.1 Å²	169.1	81%	0.805	81%	0.811	S	S	*	*			trans	-111.8	123.1	146.6	17.7	0.5	0	0	0	110.1
641	R	27.3	Very low	30.2	Very low	241 Å²	241	171.1 Å²	171.1	91%	0.909	83%	0.834	S	S	*	*			trans	-64.5	136.7	153.6	-77	175.6	168	170	-4.7	107.7
642	C	26.3	Very low	30.3	Very low	123 Å²	123	171.6 Å²	171.6	83%	0.831	83%	0.833	S	S	*	*			trans	-85.6	140.4	144.2	-86.5	0	0	0	0	107.3
643	V	28.6	Very low	30.4	Very low	115 Å²	115	172 Å²	172	70%	0.697	83%	0.831	S	S	*	*			trans	152	102.3	141.1	177.1	0	0	0	0	106.2	F645	V643-F645 HydrophobicContact CG1-CD2 3.45Å; V643-F645 VanDerWaalsContact CG1-CD2 3.45Å; V643-F645 HydrophobicContact CG1-CE2 3.55Å
644	E	27.8	Very low	30.3	Very low	194 Å²	194	174.9 Å²	174.9	91%	0.907	83%	0.834	S	S	*	*			trans	-72.4	132.2	160	-72	178.3	156.8	0	0	108
645	F	28.2	Very low	30.3	Very low	192 Å²	192	175.9 Å²	175.9	84%	0.842	84%	0.835	S	S	*	*			trans	-119.5	129.4	161.1	-100.3	-79.1	0	0	0	108.8	V643	V643-F645 HydrophobicContact CG1-CD2 3.45Å; V643-F645 VanDerWaalsContact CG1-CD2 3.45Å; V643-F645 HydrophobicContact CG1-CE2 3.55Å
646	V	30	Very low	30.3	Very low	138 Å²	138	180.8 Å²	180.8	84%	0.836	85%	0.846	S	S	*	*			trans	-57.9	141.7	173.1	176.5	0	0	0	0	110.5
647	D	31.3	Very low	30.4	Very low	138 Å²	138	179.2 Å²	179.2	74%	0.738	85%	0.849	S	S	*	*			trans	-52.9	147.2	173.4	-73	-51.6	0	0	0	113.5
648	Y	29	Very low	30.3	Very low	203 Å²	203	182 Å²	182	80%	0.796	86%	0.856	S	S	*	*				178	119.4	109.5	-106.1	-89.8	0	0	0	111.3
649	Y	29.8	Very low	30.4	Very low	188 Å²	188	177.4 Å²	177.4	74%	0.737	85%	0.852	S	S	*	*			trans	54.6	118.4	139.5	-87.5	-100.4	0	0	0	123.2
650	N	36.6	Very low	30.1	Very low	137 Å²	137	171.8 Å²	171.8	73%	0.733	85%	0.846	S	S	*	*			trans	51	105.4	133.5	-69.7	-4.7	0	0	0	120.4
651	M	33.8	Very low	29.9	Very low	268 Å²	268	176.1 Å²	176.1	100%	1.32	85%	0.85	S	S	*	*				-163.4	0	95.8	-100.3	-171.7	-163.2	0	0	110.5

Retrieved 651 of 651 residues in 890.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).