G4VJ11_SCHMA Loading...

Aspartate--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession G4VJ11, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 526 aa.

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(Predicted Aligned Error values between residue pairs)

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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	38.2	Very low	37.7	Very low	242 Å²	242	157.5 Å²	157.5	100%	1.192	81%	0.813	S	S	*	*				0	115.7	0	-71.2	-79.4	176.6	0	0	107.3
2	P	45.5	Very low	38.8	Very low	129 Å²	129	153.8 Å²	153.8	84%	0.838	79%	0.786	S	S	*	*			cis	-117.2	163.2	-3.3	32.4	-14.7	0	0	0	114.6
3	E	33.3	Very low	40.4	Very low	171 Å²	171	148.5 Å²	148.5	80%	0.799	77%	0.766	S	S	*	*			trans	-77.7	151.4	174.6	-66	159.3	132.7	0	0	112.3
4	V	39.1	Very low	41.2	Very low	144 Å²	144	151.5 Å²	151.5	87%	0.873	77%	0.77	S	S	*	*			trans	-141.7	121.8	140	-176.1	0	0	0	0	108.2
5	T	33.2	Very low	42.5	Very low	108 Å²	108	153.7 Å²	153.7	66%	0.663	77%	0.772	S	S	*	*			trans	-96.6	145.6	178.8	34.3	0	0	0	0	111.3
6	H	39.5	Very low	43.7	Very low	172 Å²	172	150.3 Å²	150.3	80%	0.796	75%	0.753	S	S	*	*			trans	-165.4	96.3	146.3	-85.3	-58.2	0	0	0	106.8
7	Q	36.9	Very low	44.4	Very low	165 Å²	165	146.6 Å²	146.6	77%	0.771	74%	0.736	S	S	*	*				59.7	102	100	-80.3	-175.9	-17.2	0	0	113.8
8	D	35.5	Very low	45.4	Very low	135 Å²	135	148.7 Å²	148.7	72%	0.722	73%	0.734	S	S	*	*				85	139.7	95.8	-95	9.2	0	0	0	110.9
9	N	33.2	Very low	46.5	Very low	129 Å²	129	148.5 Å²	148.5	69%	0.69	73%	0.728	S	S	*	*			cis	-166.6	144.6	11.8	-107.9	-39.6	0	0	0	106.8
10	D	40.3	Very low	47.1	Very low	131 Å²	131	145.7 Å²	145.7	70%	0.701	72%	0.716	S	S	*	*			trans	161.2	74	138.2	-102.4	3.4	0	0	0	111.5
11	K	40.5	Very low	47.6	Very low	206 Å²	206	145.4 Å²	145.4	90%	0.896	71%	0.713	S	S	*	*			trans	-95.2	84.9	158.7	-86.1	-178	177.2	174.1	0	108.5	T13	K11-T13 PolarHBondContact O-N 3.32Å
12	K	50.1	Low	48.4	Very low	113 Å²	113	143.1 Å²	143.1	49%	0.491	69%	0.691	S	S	.	*			trans	-58.5	127.9	169.7	-73	-177.3	-179.2	175.3	0	109.7
13	T	60.1	Low	48.9	Very low	85 Å²	85	141.1 Å²	141.1	52%	0.521	67%	0.673	S	S	.	*			trans	-66.8	148	-177.8	47.3	0	0	0	0	110.4	K11 K15 E16 L17	K11-T13 PolarHBondContact O-N 3.32Å; T13-K15 PolarHBondContact O-N 3.21Å; T13-E16 PolarHBondContact N-OE2 3.04Å; T13-E16 PolarHBondContact O-N 3.19Å; T13-E16 PolarHBondContact OG1-OE2 3.4Å; T13-L17 PolarHBondContact O-N 3.05Å
14	K	51.3	Low	49.8	Very low	191 Å²	191	137.2 Å²	137.2	83%	0.83	66%	0.661	S	S	*	*	H	α-helix	trans	-49	-19.6	178.4	-107.2	177.6	176.6	175.8	0	114.4
15	K	61.5	Low	50.1	Low	184 Å²	184	132.6 Å²	132.6	80%	0.8	64%	0.642	S	S	*	*	H	α-helix	trans	-80.5	-33.2	177.4	-136.1	176.2	-177.7	-178.8	0	112.8	T13 K19	T13-K15 PolarHBondContact O-N 3.21Å; K15-K19 PolarHBondContact O-N 3.47Å
16	E	60.6	Low	50.6	Low	99 Å²	99	135.1 Å²	135.1	46%	0.463	64%	0.644	S	S	.	*	H	α-helix	trans	-77	-38.1	177.5	-68.2	172.9	141.6	0	0	111.8	T13 R18 K19 L20	T13-E16 PolarHBondContact N-OE2 3.04Å; T13-E16 PolarHBondContact O-N 3.19Å; T13-E16 PolarHBondContact OG1-OE2 3.4Å; E16-R18 VanDerWaalsContact C-N 3.28Å; E16-R18 PolarHBondContact O-N 3.39Å; E16-K19 PolarHBondContact O-N 3.43Å; E16-K19 VanDerWaalsContact O-N 3.12Å; E16-L20 PolarHBondContact O-N 3.3Å
17	L	56.9	Low	50.7	Low	89 Å²	89	131.8 Å²	131.8	47%	0.466	64%	0.64	S	S	.	*	H	α-helix	trans	-59	-37	171.7	-98.7	138.1	0	0	0	112.6	T13 Q21	T13-L17 PolarHBondContact O-N 3.05Å; L17-Q21 WeakPolarHBondContact O-CB 3.25Å; L17-Q21 WeakPolarHBondContact O-CG 3.48Å; L17-Q21 PolarHBondContact O-N 3.12Å
18	R	60.9	Low	50.9	Low	184 Å²	184	132.4 Å²	132.4	69%	0.694	64%	0.64	S	S	*	*	H	α-helix	trans	-74.3	-23	176.4	-78.3	-177.8	171.6	-172.6	-2.4	113.8	E16 R22	E16-R18 VanDerWaalsContact C-N 3.28Å; E16-R18 PolarHBondContact O-N 3.39Å; R18-R22 PolarHBondContact O-N 3.34Å
19	K	66.9	Low	51	Low	145 Å²	145	131.5 Å²	131.5	63%	0.63	64%	0.639	S	S	*	*	H	α-helix	trans	-80.4	-43.6	174.4	-160.5	179	178.7	-171.9	0	110.6	K15 E16 Q21 R22 D23	K15-K19 PolarHBondContact O-N 3.47Å; E16-K19 PolarHBondContact O-N 3.43Å; E16-K19 VanDerWaalsContact O-N 3.12Å; K19-Q21 VanDerWaalsContact C-N 3.34Å; K19-Q21 PolarHBondContact O-N 2.99Å; K19-R22 PolarHBondContact O-N 3.46Å; K19-D23 PolarHBondContact O-N 3.04Å
20	L	57.7	Low	51.3	Low	92 Å²	92	133.9 Å²	133.9	48%	0.482	65%	0.646	S	S	.	*	H	α-helix	trans	-60.3	-37.9	172.8	-89.1	148.2	0	0	0	113	E16 R22 D23 V24	E16-L20 PolarHBondContact O-N 3.3Å; L20-R22 VanDerWaalsContact C-N 3.32Å; L20-R22 PolarHBondContact O-N 3.01Å; L20-D23 PolarHBondContact O-N 3.36Å; L20-V24 WeakPolarHBondContact O-CB 3.41Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.5Å; L20-V24 PolarHBondContact O-N 3.33Å
21	Q	57.5	Low	51.1	Low	139 Å²	139	136.6 Å²	136.6	65%	0.65	66%	0.655	S	S	*	*	H	α-helix	trans	-68.6	-27.3	173.4	-78.6	178.1	-19.9	0	0	113.6	L17 K19 G25	L17-Q21 WeakPolarHBondContact O-CB 3.25Å; L17-Q21 WeakPolarHBondContact O-CG 3.48Å; L17-Q21 PolarHBondContact O-N 3.12Å; K19-Q21 VanDerWaalsContact C-N 3.34Å; K19-Q21 PolarHBondContact O-N 2.99Å; Q21-G25 PolarHBondContact O-N 3.26Å
22	R	56.3	Low	50.8	Low	194 Å²	194	131.8 Å²	131.8	73%	0.732	65%	0.654	S	S	*	*	H	α-helix	trans	-80.2	-30.2	175.8	-83	178.5	168.7	174.3	-3.8	112.9	R18 K19 L20 K26	R18-R22 PolarHBondContact O-N 3.34Å; K19-R22 PolarHBondContact O-N 3.46Å; L20-R22 VanDerWaalsContact C-N 3.32Å; L20-R22 PolarHBondContact O-N 3.01Å; R22-K26 WeakPolarHBondContact O-CG 3.49Å; R22-K26 PolarHBondContact O-N 3.47Å
23	D	55	Low	49.9	Very low	88 Å²	88	136 Å²	136	47%	0.471	68%	0.675	S	S	.	*	H	α-helix	trans	-82.2	-33.1	178.3	-65.3	-23.9	0	0	0	111.6	K19 L20 G25 K26 S27	K19-D23 PolarHBondContact O-N 3.04Å; L20-D23 PolarHBondContact O-N 3.36Å; D23-G25 VanDerWaalsContact C-N 3.27Å; D23-G25 PolarHBondContact O-N 3.04Å; D23-K26 PolarHBondContact O-N 3.4Å; D23-S27 PolarHBondContact O-N 2.85Å
24	V	52.9	Low	48.7	Very low	88 Å²	88	136.7 Å²	136.7	53%	0.533	69%	0.69	S	S	.	*	H	α-helix	trans	-69.1	-26.3	169.3	176.2	0	0	0	0	112.1	L20 K26	L20-V24 WeakPolarHBondContact O-CB 3.41Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.5Å; L20-V24 PolarHBondContact O-N 3.33Å; V24-K26 VanDerWaalsContact C-N 3.34Å
25	G	45	Very low	47.8	Very low	47 Å²	47	131 Å²	131	49%	0.485	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	-16.4	172.4	0	0	0	0	0	114.6	Q21 D23	Q21-G25 PolarHBondContact O-N 3.26Å; D23-G25 VanDerWaalsContact C-N 3.27Å; D23-G25 PolarHBondContact O-N 3.04Å
26	K	44.1	Very low	46.2	Very low	161 Å²	161	131.2 Å²	131.2	70%	0.7	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-22.4	179.3	-75.3	-178.5	175.6	-173.3	0	113.8	R22 D23 V24	R22-K26 WeakPolarHBondContact O-CG 3.49Å; R22-K26 PolarHBondContact O-N 3.47Å; D23-K26 PolarHBondContact O-N 3.4Å; V24-K26 VanDerWaalsContact C-N 3.34Å
27	S	42	Very low	44.7	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-0.6	175.7	-72.3	0	0	0	0	115.2	D23	D23-S27 PolarHBondContact O-N 2.85Å
28	K	39.9	Very low	43.2	Very low	178 Å²	178	136.6 Å²	136.6	77%	0.774	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	8.4	172.4	-74.3	-169.4	173.9	-172.1	0	114.2
29	V	39.2	Very low	41.7	Very low	116 Å²	116	133.7 Å²	133.7	70%	0.703	73%	0.729	S	S	*	*	S	Bend	trans	-111.8	10.8	-171	-174.6	0	0	0	0	112.6
30	Q	38.1	Very low	39.9	Very low	180 Å²	180	131.7 Å²	131.7	84%	0.841	73%	0.729	S	S	*	*	S	Bend	trans	-127.4	11.7	-175.7	-79.5	-175.1	-14.9	0	0	116.5
31	E	36.1	Very low	38.6	Very low	188 Å²	188	132.3 Å²	132.3	88%	0.879	74%	0.737	S	S	*	*			trans	-132.3	88.7	177.3	-73.8	-177.8	160.2	0	0	111.1
32	A	34.8	Very low	37.6	Very low	105 Å²	105	130.5 Å²	130.5	87%	0.868	73%	0.731	S	S	*	*			trans	179.2	66.1	150.7	0	0	0	0	0	111.7
33	E	31.3	Very low	36.6	Very low	200 Å²	200	128 Å²	128	94%	0.935	73%	0.731	S	S	*	*			trans	-103.5	99.5	158	-78.7	-171.5	155.5	0	0	108.5
34	A	35.5	Very low	35.7	Very low	101 Å²	101	125.7 Å²	125.7	84%	0.835	73%	0.727	S	S	*	*			trans	-177	111.2	154.6	0	0	0	0	0	111.9
35	G	30.8	Very low	34.8	Very low	72 Å²	72	131 Å²	131	74%	0.742	75%	0.747	S	S	*	*			trans	88.7	113	138.2	0	0	0	0	0	119.8
36	Q	28.6	Very low	34.4	Very low	187 Å²	187	136.2 Å²	136.2	87%	0.874	76%	0.763	S	S	*	*			trans	80.3	113.6	140.4	-62.7	179.1	-2.6	0	0	120.3
37	K	28.6	Very low	34.2	Very low	195 Å²	195	131.9 Å²	131.9	85%	0.848	76%	0.764	S	S	*	*			trans	72.8	108.1	150.3	-65.4	-177.3	178.8	178.2	0	117.8	V39	K37-V39 PolarHBondContact O-N 2.82Å
38	A	26.6	Very low	34.1	Very low	106 Å²	106	133.1 Å²	133.1	88%	0.876	76%	0.762	S	S	*	*			trans	-33.9	112.3	171.8	0	0	0	0	0	115.5
39	V	28.5	Very low	34.7	Very low	123 Å²	123	128.1 Å²	128.1	75%	0.745	74%	0.743	S	S	*	*			trans	-130.1	108.2	155.9	178.9	0	0	0	0	106	K37 T41	K37-V39 PolarHBondContact O-N 2.82Å; V39-T41 PolarHBondContact O-N 3.37Å
40	V	30.3	Very low	35.4	Very low	104 Å²	104	126.5 Å²	126.5	63%	0.63	74%	0.741	S	S	*	*			trans	-70.7	101.5	177.9	176.4	0	0	0	0	108.3	L42	V40-L42 HydrophobicContact CG1-CD1 4.12Å; V40-L42 HydrophobicContact CG1-CG 3.89Å
41	T	30.4	Very low	36.7	Very low	104 Å²	104	120 Å²	120	64%	0.638	72%	0.719	S	S	*	*			trans	-104.1	99.5	166	-42.3	0	0	0	0	106.3	V39 I43	V39-T41 PolarHBondContact O-N 3.37Å; T41-I43 HydrophobicContact CG2-CD1 4.02Å; T41-I43 HydrophobicContact CG2-CG1 3.87Å; T41-I43 PolarHBondContact O-N 3.15Å; T41-I43 VanDerWaalsContact O-N 3.15Å
42	L	35.9	Very low	39.2	Very low	101 Å²	101	113.6 Å²	113.6	53%	0.529	69%	0.692	S	S	.	*			trans	-79.8	92	174.6	-80.1	160	0	0	0	108.6	V40 L49	V40-L42 HydrophobicContact CG1-CD1 4.12Å; V40-L42 HydrophobicContact CG1-CG 3.89Å; L42-L49 HydrophobicContact CB-CD2 3.51Å; L42-L49 WeakPolarHBondContact O-CD2 3.05Å
43	I	34.6	Very low	41.6	Very low	143 Å²	143	115.7 Å²	115.7	73%	0.733	69%	0.689	S	S	*	*			trans	-106.1	98.8	164.6	-51.2	179	0	0	0	106.5	T41	T41-I43 HydrophobicContact CG2-CD1 4.02Å; T41-I43 HydrophobicContact CG2-CG1 3.87Å; T41-I43 PolarHBondContact O-N 3.15Å; T41-I43 VanDerWaalsContact O-N 3.15Å
44	G	37.1	Very low	44.6	Very low	38 Å²	38	107.1 Å²	107.1	39%	0.392	65%	0.652	S	S	.	*			trans	-76.2	147	167.8	0	0	0	0	0	110.6	N46 G47	G44-N46 PolarHBondContact O-N 3.18Å; G44-G47 PolarHBondContact O-N 3.15Å
45	E	34.2	Very low	47.5	Very low	201 Å²	201	104.1 Å²	104.1	94%	0.939	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-3.5	-173.1	-68	-176.1	145.1	0	0	115.7
46	N	36.4	Very low	50.5	Low	156 Å²	156	100.9 Å²	100.9	83%	0.834	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123	12.8	175.4	-66.6	-30.3	0	0	0	114.5	G44 I48	G44-N46 PolarHBondContact O-N 3.18Å; N46-I48 VanDerWaalsContact C-N 3.31Å; N46-I48 PolarHBondContact O-N 2.94Å
47	G	39.1	Very low	53.7	Low	70 Å²	70	94.4 Å²	94.4	72%	0.722	56%	0.559	S	S	*	*	S	Bend	trans	74.2	8.6	171.4	0	0	0	0	0	116.8	G44	G44-G47 PolarHBondContact O-N 3.15Å
48	I	39.9	Very low	56.7	Low	128 Å²	128	87.5 Å²	87.5	66%	0.656	53%	0.531	S	S	*	.			trans	-104.4	116.4	172.5	-57.5	174.6	0	0	0	108.2	N46 A50	N46-I48 VanDerWaalsContact C-N 3.31Å; N46-I48 PolarHBondContact O-N 2.94Å; I48-A50 PolarHBondContact O-N 2.83Å
49	L	52	Low	59.8	Low	73 Å²	73	87 Å²	87	38%	0.382	52%	0.519	S	S	.	.			trans	-62.6	113.3	166.5	-80.4	157.3	0	0	0	108	L42 A51	L42-L49 HydrophobicContact CB-CD2 3.51Å; L42-L49 WeakPolarHBondContact O-CD2 3.05Å; L49-A51 PolarHBondContact O-N 3.1Å
50	A	55.7	Low	62.8	Low	81 Å²	81	87 Å²	87	67%	0.669	51%	0.514	S	S	*	.			trans	-58.7	129.5	169.4	0	0	0	0	0	108.8	I48	I48-A50 PolarHBondContact O-N 2.83Å
51	A	64.5	Low	65.8	Low	45 Å²	45	86.7 Å²	86.7	37%	0.372	52%	0.516	S	S	.	.			trans	-63.5	139.6	174.7	0	0	0	0	0	110.5	L49 F170	L49-A51 PolarHBondContact O-N 3.1Å; A51-F170 HydrophobicContact CB-CD1 4.25Å; A51-F170 HydrophobicContact CB-CE1 4.18Å
52	T	87.5	Confident	68.8	Low	52 Å²	52	88 Å²	88	32%	0.319	52%	0.515	S	S	.	.			trans	-81.2	176.9	164.5	67.7	0	0	0	0	109.5	A54 Y55 F170	T52-A54 PolarHBondContact O-N 2.88Å; T52-A54 VanDerWaalsContact O-N 3.11Å; T52-A54 PolarHBondContact OG1-N 2.86Å; T52-Y55 HydrophobicContact CG2-CE1 4.17Å; T52-Y55 PolarHBondContact N-O 2.94Å; T52-Y55 VanDerWaalsContact OG1-CD1 3.27Å; T52-Y55 WeakPolarHBondContact OG1-CD1 3.34Å; T52-Y55 PolarHBondContact OG1-N 2.8Å; T52-Y55 PolarHBondContact OG1-O 3.23Å; T52-F170 WeakPolarHBondContact O-CE1 3.38Å
53	D	87.2	Confident	71.6	Confident	149 Å²	149	88.3 Å²	88.3	80%	0.797	53%	0.525	S	S	*	.	S	Bend	trans	-65.1	-13.1	176	-65.8	-27.1	0	0	0	114.4	K168	D53-K168 WeakPolarHBondContact O-CD 3.28Å; D53-K168 PolarHBondContact O-NZ 3.48Å; D53-K168 VanDerWaalsContact O-NZ 3.17Å
54	A	93.3	Very high	74.3	Confident	20 Å²	20	85.7 Å²	85.7	17%	0.165	51%	0.51	C	S	.	.	S	Bend	trans	-121.4	-28.4	-175.4	0	0	0	0	0	114.3	T52 M128 K168 V169	T52-A54 PolarHBondContact O-N 2.88Å; T52-A54 VanDerWaalsContact O-N 3.11Å; T52-A54 PolarHBondContact OG1-N 2.86Å; A54-M128 HydrophobicContact CB-SD 4.48Å; A54-K168 HydrophobicContact CB-CG 4.44Å; A54-K168 CarbonylContact O-C 3.58Å; A54-K168 WeakPolarHBondContact O-CA 3.28Å; A54-K168 VanDerWaalsContact O-CB 3.28Å; A54-K168 WeakPolarHBondContact O-CB 3.5Å; A54-V169 PolarHBondContact O-N 2.91Å
55	Y	95.7	Very high	76.7	Confident	39 Å²	39	91.6 Å²	91.6	15%	0.153	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	156.2	179.2	69.7	-81.2	0	0	0	113.7	T52 P125 M128 F131 V169	T52-Y55 HydrophobicContact CG2-CE1 4.17Å; T52-Y55 PolarHBondContact N-O 2.94Å; T52-Y55 VanDerWaalsContact OG1-CD1 3.27Å; T52-Y55 WeakPolarHBondContact OG1-CD1 3.34Å; T52-Y55 PolarHBondContact OG1-N 2.8Å; T52-Y55 PolarHBondContact OG1-O 3.23Å; Y55-P125 HydrophobicContact CE1-CG 4.26Å; Y55-M128 HydrophobicContact CD1-CB 3.61Å; Y55-M128 HydrophobicContact CD1-CG 3.59Å; Y55-M128 HydrophobicContact CD1-SD 4.06Å; Y55-M128 HydrophobicContact CE1-CB 3.75Å; Y55-M128 HydrophobicContact CE1-CG 4.26Å; Y55-M128 HydrophobicContact CG-CB 4.07Å; Y55-M128 HydrophobicContact CG-CG 3.75Å; Y55-F131 HydrophobicContact CD2-CB 3.72Å; Y55-F131 AromaticContact CD2-CD1 3.5Å; Y55-F131 HydrophobicContact CD2-CD1 3.5Å; Y55-F131 HydrophobicContact CD2-CD2 4.23Å; Y55-F131 HydrophobicContact CD2-CE1 4.16Å; Y55-F131 AromaticContact CD2-CG 3.54Å; Y55-F131 HydrophobicContact CD2-CG 3.54Å; Y55-F131 HydrophobicContact CE2-CB 3.84Å; Y55-F131 HydrophobicContact CE2-CD1 4.44Å; Y55-F131 HydrophobicContact CE2-CG 4.06Å; Y55-F131 HydrophobicContact CG-CD1 4.16Å; Y55-V169 WeakPolarHBondContact CA-O 3.36Å; Y55-V169 VanDerWaalsContact CB-O 3.27Å; Y55-V169 WeakPolarHBondContact CB-O 3.5Å
56	G	94.2	Very high	79.3	Confident	3 Å²	3	89 Å²	89	3%	0.031	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.6	-162.7	174.2	0	0	0	0	0	112.4	F131 V169 F170 V171	G56-F131 VanDerWaalsContact C-CZ 3.47Å; G56-F131 VanDerWaalsContact CA-CZ 3.46Å; G56-F131 WeakPolarHBondContact O-CZ 3.08Å; G56-V169 PolarHBondContact N-O 2.72Å; G56-F170 CarbonylContact O-C 3.52Å; G56-F170 VanDerWaalsContact O-CA 3.31Å; G56-F170 WeakPolarHBondContact O-CA 3.49Å; G56-V171 PolarHBondContact O-N 3.02Å
57	V	95.8	Very high	81.8	Confident	51 Å²	51	90.1 Å²	90.1	31%	0.309	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.3	176.8	-175.2	0	0	0	0	108.3	V171	V57-V171 HydrophobicContact CG2-CB 4.3Å
58	L	92.5	Very high	84	Confident	51 Å²	51	89.8 Å²	89.8	27%	0.267	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-65.1	151.4	176	-67.3	-175.6	0	0	0	110.5	D142 F170 V171 V172	L58-D142 WeakPolarHBondContact CD1-OD2 3.48Å; L58-F170 HydrophobicContact CD1-CB 4.21Å; L58-F170 HydrophobicContact CD2-CB 3.72Å; L58-F170 HydrophobicContact CD2-CD1 3.75Å; L58-F170 HydrophobicContact CD2-CG 3.8Å; L58-F170 HydrophobicContact CG-CB 3.71Å; L58-F170 HydrophobicContact CG-CG 4.35Å; L58-V171 PolarHBondContact N-O 2.79Å; L58-V172 HydrophobicContact CD1-CG2 4.07Å
59	P	90.2	Very high	86.5	Confident	95 Å²	95	86 Å²	86	62%	0.617	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-57.7	152.2	166.9	27.3	-34.8	0	0	0	110.1	C61	P59-C61 PolarHBondContact O-N 3.35Å; P59-C61 VanDerWaalsContact O-N 3.13Å
60	L	93.2	Very high	88.5	Confident	124 Å²	124	91.6 Å²	91.6	65%	0.649	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-52.7	122.6	175.5	177.3	64	0	0	0	109.7	Q62 Q64	L60-Q62 HydrophobicContact CB-CG 4.4Å; L60-Q62 HydrophobicContact CD2-CG 3.83Å; L60-Q62 HydrophobicContact CG-CG 3.75Å; L60-Q62 PolarHBondContact O-N 2.74Å; L60-Q64 PolarHBondContact O-NE2 2.95Å; L60-Q64 PolarHBondContact O-OE1 3.3Å
61	C	91.5	Very high	90.5	Very high	97 Å²	97	91.7 Å²	91.7	66%	0.655	51%	0.508	S	S	*	.			trans	-67.4	106.5	175.2	-174.7	0	0	0	0	109.6	P59	P59-C61 PolarHBondContact O-N 3.35Å; P59-C61 VanDerWaalsContact O-N 3.13Å
62	Q	94.2	Very high	92	Very high	132 Å²	132	91 Å²	91	62%	0.617	50%	0.499	S	S	*	.	S	Bend	trans	-124.9	32.9	173.7	-45.3	172	-56.6	0	0	110.2	L60 Q64	L60-Q62 HydrophobicContact CB-CG 4.4Å; L60-Q62 HydrophobicContact CD2-CG 3.83Å; L60-Q62 HydrophobicContact CG-CG 3.75Å; L60-Q62 PolarHBondContact O-N 2.74Å; Q62-Q64 HydrophobicContact CB-CG 4.36Å; Q62-Q64 VanDerWaalsContact CG-NE2 3.32Å; Q62-Q64 VanDerWaalsContact N-CD 3.34Å; Q62-Q64 PolarHBondContact O-N 3.36Å; Q62-Q64 VanDerWaalsContact OE1-NE2 3.12Å
63	S	94	Very high	92.3	Very high	106 Å²	106	93 Å²	93	74%	0.741	51%	0.505	S	S	*	.	S	Bend	trans	56.3	33.9	-178.2	-51.9	0	0	0	0	113.7	F65	S63-F65 PolarHBondContact O-N 3.46Å
64	Q	91.4	Very high	92.6	Very high	89 Å²	89	86 Å²	86	42%	0.416	47%	0.468	S	S	.	.			trans	-70.2	-15.8	179.4	-52.1	92.4	-22.7	0	0	112.7	L60 Q62	L60-Q64 PolarHBondContact O-NE2 2.95Å; L60-Q64 PolarHBondContact O-OE1 3.3Å; Q62-Q64 HydrophobicContact CB-CG 4.36Å; Q62-Q64 VanDerWaalsContact CG-NE2 3.32Å; Q62-Q64 VanDerWaalsContact N-CD 3.34Å; Q62-Q64 PolarHBondContact O-N 3.36Å; Q62-Q64 VanDerWaalsContact OE1-NE2 3.12Å
65	F	87.5	Confident	92.5	Very high	162 Å²	162	89.5 Å²	89.5	71%	0.711	48%	0.477	S	S	*	.			trans	-134	136.4	177.6	-51.1	-76.6	0	0	0	109.2	S63	S63-F65 PolarHBondContact O-N 3.46Å
66	T	89.5	Confident	92.4	Very high	146 Å²	146	90.9 Å²	90.9	90%	0.896	49%	0.487	S	S	*	.	S	Bend	trans	-92.4	-22.3	172.8	50.5	0	0	0	0	112.3
67	E	88.5	Confident	92.4	Very high	180 Å²	180	90.7 Å²	90.7	84%	0.841	49%	0.485	S	S	*	.			trans	-100.3	144.7	177	-63.5	-176.4	-179.4	0	0	110.2
68	G	86.9	Confident	92	Very high	63 Å²	63	91 Å²	91	65%	0.649	49%	0.489	S	S	*	.			trans	-169.2	-179.7	-177.8	0	0	0	0	0	111.4
69	P	91.2	Very high	92.1	Very high	49 Å²	49	92 Å²	92	32%	0.318	50%	0.495	S	S	.	.			trans	-61.5	144.1	176.8	26.3	-33.8	0	0	0	111.1	Y71 W88	P69-Y71 HydrophobicContact CG-CE1 4.13Å; P69-Y71 HydrophobicContact CG-CE2 3.9Å; P69-Y71 WeakPolarHBondContact CG-OH 3.46Å; P69-Y71 WeakPolarHBondContact O-CD2 3.47Å; P69-Y71 WeakPolarHBondContact O-CE2 3.38Å; P69-Y71 PolarHBondContact O-N 3.34Å; P69-W88 HydrophobicContact CB-CB 4.01Å; P69-W88 HydrophobicContact CB-CD2 3.68Å; P69-W88 HydrophobicContact CB-CE3 4.48Å; P69-W88 HydrophobicContact CB-CG 3.42Å; P69-W88 VanDerWaalsContact CB-CG 3.42Å; P69-W88 HydrophobicContact CG-CD2 4.11Å; P69-W88 HydrophobicContact CG-CE3 4.45Å; P69-W88 HydrophobicContact CG-CG 4.25Å
70	K	95.1	Very high	92.1	Very high	190 Å²	190	93.8 Å²	93.8	83%	0.826	50%	0.495	S	S	*	.			trans	-79	107.6	170.3	-174.3	179.1	-179.9	-178.2	0	108.7
71	Y	96.3	Very high	92.2	Very high	82 Å²	82	92.2 Å²	92.2	32%	0.322	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-76.8	138.4	177.9	-61.1	-84.1	0	0	0	111.4	P69 W88 R90 D142	P69-Y71 HydrophobicContact CG-CE1 4.13Å; P69-Y71 HydrophobicContact CG-CE2 3.9Å; P69-Y71 WeakPolarHBondContact CG-OH 3.46Å; P69-Y71 WeakPolarHBondContact O-CD2 3.47Å; P69-Y71 WeakPolarHBondContact O-CE2 3.38Å; P69-Y71 PolarHBondContact O-N 3.34Å; Y71-W88 CarbonylContact C-O 3.56Å; Y71-W88 WeakPolarHBondContact CA-O 3.45Å; Y71-W88 HydrophobicContact CD1-CB 4.02Å; Y71-W88 HydrophobicContact CE1-CB 4.38Å; Y71-R90 HydrophobicContact CD1-CB 3.95Å; Y71-R90 HydrophobicContact CE1-CB 4.09Å; Y71-R90 PolarHBondContact OH-NH2 3.39Å; Y71-D142 HydrophobicContact CE1-CB 4.44Å; Y71-D142 WeakPolarHBondContact CE1-OD1 3.32Å; Y71-D142 PolarHBondContact OH-OD2 2.86Å; Y71-D142 VanDerWaalsContact OH-OD2 3.07Å
72	T	96.7	Very high	92.3	Very high	31 Å²	31	88.9 Å²	88.9	19%	0.19	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-95.9	132.9	167.7	-55.4	0	0	0	0	108.6	D76 L77 W88	T72-D76 HydrophobicContact CG2-CB 4.41Å; T72-L77 HydrophobicContact CG2-CD2 3.76Å; T72-L77 HydrophobicContact CG2-CG 4.45Å; T72-W88 PolarHBondContact N-O 3.27Å
73	E	93.9	Very high	92.3	Very high	93 Å²	93	83.3 Å²	83.3	44%	0.435	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-70.1	143	175	-68.5	-64.9	152.4	0	0	110.8	R75 D76 L109	E73-R75 HydrophobicContact CB-CG 4.04Å; E73-R75 PolarHBondContact O-N 3.02Å; E73-D76 PolarHBondContact O-N 3.43Å; E73-L109 WeakPolarHBondContact OE2-CD2 3.41Å
74	L	93.8	Very high	92.5	Very high	2 Å²	2	82.2 Å²	82.2	1%	0.01	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-60.5	-33.2	-176.1	-61.4	-162.9	0	0	0	113	D76 L77 V89 L107 L109 I114	L74-D76 PolarHBondContact O-N 3.23Å; L74-L77 HydrophobicContact CB-CD1 4.37Å; L74-L77 HydrophobicContact CD2-CD1 3.72Å; L74-L77 WeakPolarHBondContact O-CB 3.49Å; L74-L77 PolarHBondContact O-N 3.37Å; L74-V89 HydrophobicContact CD2-CB 3.8Å; L74-V89 HydrophobicContact CD2-CG1 4.02Å; L74-V89 HydrophobicContact CD2-CG2 4.32Å; L74-L107 HydrophobicContact CD2-CD2 4.18Å; L74-L109 HydrophobicContact CB-CB 4.29Å; L74-L109 HydrophobicContact CD1-CB 3.47Å; L74-L109 VanDerWaalsContact CD1-CB 3.47Å; L74-L109 HydrophobicContact CG-CB 3.68Å; L74-L109 HydrophobicContact CG-CD2 4.21Å; L74-I114 HydrophobicContact CD1-CG2 4.09Å; L74-I114 HydrophobicContact CD2-CG2 3.98Å
75	R	90.5	Very high	92.7	Very high	94 Å²	94	83 Å²	83	36%	0.355	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-62.4	-30.3	177.7	66.4	179.9	65.4	-149.3	-5.6	113.3	E73 Y112	E73-R75 HydrophobicContact CB-CG 4.04Å; E73-R75 PolarHBondContact O-N 3.02Å; R75-Y112 HydrophobicContact CB-CD1 3.95Å; R75-Y112 HydrophobicContact CB-CD2 4.02Å; R75-Y112 HydrophobicContact CB-CE1 3.53Å; R75-Y112 HydrophobicContact CB-CE2 3.62Å; R75-Y112 HydrophobicContact CB-CG 4.17Å
76	D	93.8	Very high	93.2	Very high	68 Å²	68	78.8 Å²	78.8	36%	0.364	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-89.5	-9.9	-175.3	-63.4	-34	0	0	0	112.2	T72 E73 L74 S78 N79 N82	T72-D76 HydrophobicContact CG2-CB 4.41Å; E73-D76 PolarHBondContact O-N 3.43Å; L74-D76 PolarHBondContact O-N 3.23Å; D76-S78 PolarHBondContact O-N 3.2Å; D76-S78 VanDerWaalsContact O-N 3.16Å; D76-N79 WeakPolarHBondContact O-CB 3.46Å; D76-N79 VanDerWaalsContact O-CG 3.22Å; D76-N79 PolarHBondContact O-N 3.02Å; D76-N79 PolarHBondContact O-ND2 3.48Å; D76-N82 PolarHBondContact O-ND2 3Å
77	L	93.4	Very high	93.6	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.1	-175.8	-70	174.4	0	0	0	113.6	T72 L74 N79 V87 V89 I114 V147 I162 I164	T72-L77 HydrophobicContact CG2-CD2 3.76Å; T72-L77 HydrophobicContact CG2-CG 4.45Å; L74-L77 HydrophobicContact CB-CD1 4.37Å; L74-L77 HydrophobicContact CD2-CD1 3.72Å; L74-L77 WeakPolarHBondContact O-CB 3.49Å; L74-L77 PolarHBondContact O-N 3.37Å; L77-N79 PolarHBondContact O-N 3.12Å; L77-V87 HydrophobicContact CD2-CG2 4Å; L77-V89 HydrophobicContact CD1-CG1 4.15Å; L77-V89 HydrophobicContact CD2-CG1 3.86Å; L77-V89 HydrophobicContact CG-CG1 4.47Å; L77-I114 HydrophobicContact CD1-CB 4.34Å; L77-I114 HydrophobicContact CD1-CG1 4.1Å; L77-I114 HydrophobicContact CD1-CG2 4.31Å; L77-V147 HydrophobicContact CD2-CG2 4.06Å; L77-I162 HydrophobicContact CB-CD1 3.71Å; L77-I164 HydrophobicContact CD1-CD1 4.08Å
78	S	88.8	Confident	94.1	Very high	57 Å²	57	66.1 Å²	66.1	40%	0.399	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.9	177.1	61.3	0	0	0	0	113.7	D76 E80	D76-S78 PolarHBondContact O-N 3.2Å; D76-S78 VanDerWaalsContact O-N 3.16Å; S78-E80 PolarHBondContact O-N 3.28Å
79	N	93.5	Very high	94.6	Very high	73 Å²	73	63.2 Å²	63.2	39%	0.39	32%	0.317	S	S	.	.	S	Bend	trans	-61	131.7	175.5	-66.1	-24.1	0	0	0	109.9	D76 L77 S81 N82	D76-N79 WeakPolarHBondContact O-CB 3.46Å; D76-N79 VanDerWaalsContact O-CG 3.22Å; D76-N79 PolarHBondContact O-N 3.02Å; D76-N79 PolarHBondContact O-ND2 3.48Å; L77-N79 PolarHBondContact O-N 3.12Å; N79-S81 PolarHBondContact O-N 2.88Å; N79-N82 WeakPolarHBondContact O-CB 3.43Å; N79-N82 PolarHBondContact O-N 3.27Å
80	E	90.7	Very high	94.9	Very high	132 Å²	132	65.2 Å²	65.2	62%	0.617	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-55.2	-27.2	-178.6	-77.5	-72	165	0	0	112.8	S78 N82 I83 K149	S78-E80 PolarHBondContact O-N 3.28Å; E80-N82 PolarHBondContact O-N 3.3Å; E80-I83 PolarHBondContact O-N 2.87Å; E80-K149 IonicContact OE1-NZ 2.79Å; E80-K149 PolarHBondContact OE1-NZ 3.45Å; E80-K149 IonicContact OE2-NZ 3.7Å
81	S	94.2	Very high	95	Very high	90 Å²	90	56.3 Å²	56.3	63%	0.629	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-64.1	-21.4	174.5	61.7	0	0	0	0	114.6	N79 Q85	N79-S81 PolarHBondContact O-N 2.88Å; S81-Q85 VanDerWaalsContact O-CG 3.3Å; S81-Q85 WeakPolarHBondContact O-CG 3.37Å
82	N	94.6	Very high	95.1	Very high	27 Å²	27	55.8 Å²	55.8	14%	0.144	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-93.5	-18.4	179.5	-69.6	-38	0	0	0	112.3	D76 N79 E80 N84 Q85 V147	D76-N82 PolarHBondContact O-ND2 3Å; N79-N82 WeakPolarHBondContact O-CB 3.43Å; N79-N82 PolarHBondContact O-N 3.27Å; E80-N82 PolarHBondContact O-N 3.3Å; N82-N84 PolarHBondContact O-N 3.29Å; N82-Q85 WeakPolarHBondContact O-CB 3.19Å; N82-Q85 PolarHBondContact O-N 3.23Å; N82-Q85 VanDerWaalsContact O-N 3.12Å; N82-V147 WeakPolarHBondContact O-CB 3.27Å
83	I	95.2	Very high	95.1	Very high	15 Å²	15	54.3 Å²	54.3	8%	0.077	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	136.4	179.5	-55.9	-60.9	0	0	0	110	E80 Q85 V147 K149 I162	E80-I83 PolarHBondContact O-N 2.87Å; I83-Q85 PolarHBondContact O-N 2.92Å; I83-V147 HydrophobicContact CD1-CG1 4.04Å; I83-K149 HydrophobicContact CG2-CG 4.2Å; I83-I162 HydrophobicContact CD1-CG2 3.7Å
84	N	96.5	Very high	95.2	Very high	83 Å²	83	50.3 Å²	50.3	44%	0.444	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	8	-174.5	-62.3	-54.4	0	0	0	115.3	N82 R146 V147 L148	N82-N84 PolarHBondContact O-N 3.29Å; N84-R146 PolarHBondContact O-NE 2.86Å; N84-R146 PolarHBondContact O-NH2 2.85Å; N84-V147 VanDerWaalsContact CA-O 3.29Å; N84-V147 WeakPolarHBondContact CA-O 3.19Å; N84-V147 PolarHBondContact N-O 3.36Å; N84-L148 VanDerWaalsContact OD1-CD2 3.31Å; N84-L148 WeakPolarHBondContact OD1-CD2 3.33Å
85	Q	97.1	Very high	95.2	Very high	106 Å²	106	56 Å²	56	50%	0.495	27%	0.272	S	S	.	.			trans	-95.4	152.6	175.7	-57.7	-55.9	-43.8	0	0	111.7	S81 N82 I83 R146 V147	S81-Q85 VanDerWaalsContact O-CG 3.3Å; S81-Q85 WeakPolarHBondContact O-CG 3.37Å; N82-Q85 WeakPolarHBondContact O-CB 3.19Å; N82-Q85 PolarHBondContact O-N 3.23Å; N82-Q85 VanDerWaalsContact O-N 3.12Å; I83-Q85 PolarHBondContact O-N 2.92Å; Q85-R146 WeakPolarHBondContact O-CA 3.26Å; Q85-V147 PolarHBondContact O-N 3.12Å
86	N	97.4	Very high	95.4	Very high	74 Å²	74	53.4 Å²	53.4	40%	0.396	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.6	169.1	-75.7	-0.5	0	0	0	109.5	F144 G145 R146	N86-F144 HydrophobicContact CB-CE2 3.86Å; N86-F144 HydrophobicContact CB-CZ 3.68Å; N86-G145 CarbonylContact C-O 3.51Å; N86-G145 WeakPolarHBondContact CA-O 3.17Å; N86-R146 WeakPolarHBondContact OD1-CA 3.26Å; N86-R146 WeakPolarHBondContact OD1-CB 3.44Å; N86-R146 WeakPolarHBondContact OD1-CG 3.31Å
87	V	97.7	Very high	95.4	Very high	9 Å²	9	58.4 Å²	58.4	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151	-176.4	-61.5	0	0	0	0	110.6	L77 V89 F144 G145 V147 I164	L77-V87 HydrophobicContact CD2-CG2 4Å; V87-V89 HydrophobicContact CG2-CG1 3.97Å; V87-F144 WeakPolarHBondContact O-CA 3.35Å; V87-F144 WeakPolarHBondContact O-CD2 3.27Å; V87-G145 PolarHBondContact N-O 2.83Å; V87-G145 PolarHBondContact O-N 3.16Å; V87-G145 VanDerWaalsContact O-N 3.13Å; V87-V147 HydrophobicContact CB-CG2 4.45Å; V87-V147 HydrophobicContact CG1-CG2 4.04Å; V87-V147 HydrophobicContact CG2-CG2 3.52Å; V87-I164 HydrophobicContact CG2-CD1 4.48Å
88	W	98.1	Very high	95.4	Very high	51 Å²	51	61.5 Å²	61.5	19%	0.193	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.7	161.3	-80.3	95.7	0	0	0	108.9	P69 Y71 T72 D142 V143 F144 K168 F170	P69-W88 HydrophobicContact CB-CB 4.01Å; P69-W88 HydrophobicContact CB-CD2 3.68Å; P69-W88 HydrophobicContact CB-CE3 4.48Å; P69-W88 HydrophobicContact CB-CG 3.42Å; P69-W88 VanDerWaalsContact CB-CG 3.42Å; P69-W88 HydrophobicContact CG-CD2 4.11Å; P69-W88 HydrophobicContact CG-CE3 4.45Å; P69-W88 HydrophobicContact CG-CG 4.25Å; Y71-W88 CarbonylContact C-O 3.56Å; Y71-W88 WeakPolarHBondContact CA-O 3.45Å; Y71-W88 HydrophobicContact CD1-CB 4.02Å; Y71-W88 HydrophobicContact CE1-CB 4.38Å; T72-W88 PolarHBondContact N-O 3.27Å; W88-D142 HydrophobicContact CE3-CB 4.25Å; W88-D142 HydrophobicContact CZ3-CB 3.99Å; W88-V143 CarbonylContact C-O 3.46Å; W88-V143 WeakPolarHBondContact CA-O 3.27Å; W88-F144 AromaticContact CD1-CD2 3.42Å; W88-F144 VanDerWaalsContact CD1-CD2 3.42Å; W88-F144 AromaticContact CD1-CE2 3.86Å; W88-F144 HydrophobicContact CD2-CB 3.77Å; W88-F144 AromaticContact CD2-CD2 3.83Å; W88-F144 HydrophobicContact CD2-CD2 3.83Å; W88-F144 HydrophobicContact CD2-CG 4.19Å; W88-F144 AromaticContact CE2-CD2 3.52Å; W88-F144 AromaticContact CE2-CG 3.78Å; W88-F144 HydrophobicContact CE3-CB 3.84Å; W88-F144 AromaticContact CG-CD2 3.81Å; W88-F144 HydrophobicContact CG-CD2 3.81Å; W88-F144 HydrophobicContact CH2-CB 3.84Å; W88-F144 HydrophobicContact CZ2-CB 3.73Å; W88-F144 HydrophobicContact CZ2-CD2 4.21Å; W88-F144 HydrophobicContact CZ2-CG 4.02Å; W88-F144 HydrophobicContact CZ3-CB 3.87Å; W88-F144 AromaticContact NE1-CD2 3.21Å; W88-F144 AromaticContact NE1-CE2 3.67Å; W88-F144 AromaticContact NE1-CG 3.92Å; W88-K168 HydrophobicContact CH2-CB 4.39Å; W88-K168 HydrophobicContact CH2-CD 4.26Å; W88-K168 HydrophobicContact CZ2-CD 4.26Å; W88-F170 HydrophobicContact CH2-CD2 4Å; W88-F170 AromaticContact CH2-CE2 3.79Å; W88-F170 HydrophobicContact CH2-CE2 3.79Å; W88-F170 HydrophobicContact CZ3-CD2 4.09Å; W88-F170 HydrophobicContact CZ3-CE2 4.34Å
89	V	97.7	Very high	95.6	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.3	174.1	-61	0	0	0	0	109.6	L74 L77 V87 L107 D142 V143 I164	L74-V89 HydrophobicContact CD2-CB 3.8Å; L74-V89 HydrophobicContact CD2-CG1 4.02Å; L74-V89 HydrophobicContact CD2-CG2 4.32Å; L77-V89 HydrophobicContact CD1-CG1 4.15Å; L77-V89 HydrophobicContact CD2-CG1 3.86Å; L77-V89 HydrophobicContact CG-CG1 4.47Å; V87-V89 HydrophobicContact CG2-CG1 3.97Å; V89-L107 HydrophobicContact CB-CD2 4.2Å; V89-L107 HydrophobicContact CG2-CD2 3.51Å; V89-D142 WeakPolarHBondContact O-CA 3.44Å; V89-V143 HydrophobicContact CG2-CB 3.79Å; V89-V143 HydrophobicContact CG2-CG1 4.43Å; V89-V143 PolarHBondContact N-O 2.92Å; V89-V143 PolarHBondContact O-N 3Å; V89-I164 HydrophobicContact CG1-CD1 4.14Å; V89-I164 HydrophobicContact CG2-CD1 3.79Å
90	R	97.7	Very high	95.5	Very high	91 Å²	91	64.9 Å²	64.9	34%	0.343	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.3	175.1	177	172.5	-73.1	-175.8	-4.8	109.3	Y71 I140 I141 D142	Y71-R90 HydrophobicContact CD1-CB 3.95Å; Y71-R90 HydrophobicContact CE1-CB 4.09Å; Y71-R90 PolarHBondContact OH-NH2 3.39Å; R90-I140 HydrophobicContact CG-CG2 3.91Å; R90-I141 WeakPolarHBondContact CA-O 3.08Å; R90-D142 WeakPolarHBondContact CB-OD1 3.42Å; R90-D142 WeakPolarHBondContact CG-OD1 3.31Å; R90-D142 IonicContact CZ-OD1 2.96Å; R90-D142 IonicContact CZ-OD2 2.62Å; R90-D142 IonicContact NE-OD1 3.33Å; R90-D142 PolarHBondContact NE-OD1 2.85Å; R90-D142 IonicContact NE-OD2 3.34Å; R90-D142 IonicContact NH2-OD1 2.81Å; R90-D142 PolarHBondContact NH2-OD1 3.44Å; R90-D142 IonicContact NH2-OD2 3.99Å; R90-D142 PolarHBondContact NH2-OD2 3.17Å
91	G	97.4	Very high	95.7	Very high	3 Å²	3	66.1 Å²	66.1	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	-176.5	176.2	0	0	0	0	0	112.9	L107 R108 I140 I141	G91-L107 WeakPolarHBondContact O-CD1 3.31Å; G91-R108 CarbonylContact C-O 3.55Å; G91-R108 WeakPolarHBondContact CA-O 3.41Å; G91-I140 CarbonylContact O-C 3.52Å; G91-I140 WeakPolarHBondContact O-CA 3.32Å; G91-I141 PolarHBondContact N-O 2.84Å; G91-I141 VanDerWaalsContact N-O 3.09Å; G91-I141 PolarHBondContact O-N 2.62Å
92	R	97.7	Very high	95.8	Very high	71 Å²	71	64.7 Å²	64.7	27%	0.268	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.5	174.8	-66.4	-171.7	179.5	-74.1	-3.4	110.6	H94 L107 R108 E138 S139 I140	R92-H94 PolarHBondContact O-N 2.64Å; R92-H94 VanDerWaalsContact O-N 3.1Å; R92-L107 WeakPolarHBondContact O-CA 3.35Å; R92-R108 PolarHBondContact N-O 3.39Å; R92-R108 PolarHBondContact O-N 2.97Å; R92-E138 PolarHBondContact NH1-O 3.42Å; R92-S139 CarbonylContact C-O 3.53Å; R92-S139 WeakPolarHBondContact CA-O 3.49Å; R92-I140 HydrophobicContact CG-CG1 4.26Å
93	L	97.2	Very high	95.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	106.3	168.5	-177.2	64.9	0	0	0	109.5	F105 I135 E138 S139 I141	L93-F105 HydrophobicContact CD1-CB 3.74Å; L93-F105 HydrophobicContact CD1-CD2 3.89Å; L93-F105 HydrophobicContact CD1-CG 4.21Å; L93-I135 HydrophobicContact CD2-CB 3.59Å; L93-I135 HydrophobicContact CD2-CG2 3.49Å; L93-I135 VanDerWaalsContact CD2-CG2 3.49Å; L93-I135 WeakPolarHBondContact CD2-O 3.02Å; L93-E138 PolarHBondContact O-N 3.08Å; L93-S139 PolarHBondContact N-O 2.94Å; L93-I141 HydrophobicContact CB-CD1 4.29Å; L93-I141 HydrophobicContact CD1-CD1 4.17Å
94	H	95.5	Very high	96	Very high	10 Å²	10	65.7 Å²	65.7	5%	0.046	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-49.5	-179.4	-176.3	56.7	0	0	0	111.3	R92 I106 R108	R92-H94 PolarHBondContact O-N 2.64Å; R92-H94 VanDerWaalsContact O-N 3.1Å; H94-I106 HydrophobicContact CB-CB 4.21Å; H94-I106 HydrophobicContact CB-CG2 4.12Å; H94-I106 WeakPolarHBondContact CB-O 3.41Å; H94-I106 PolarHBondContact N-O 3.28Å; H94-R108 HydrophobicContact CB-CB 4.04Å
95	R	94.1	Very high	96	Very high	120 Å²	120	61.9 Å²	61.9	45%	0.453	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	151.7	174.1	63.8	-179.3	-176.9	-165.6	-3.7	110.4	F105 I106	R95-F105 CarbonylContact O-C 3.56Å; R95-F105 WeakPolarHBondContact O-CA 3.27Å; R95-F105 WeakPolarHBondContact O-CB 3.13Å; R95-I106 HydrophobicContact CG-CB 3.93Å; R95-I106 HydrophobicContact CG-CG1 3.63Å; R95-I106 VanDerWaalsContact NE-CG1 3.31Å; R95-I106 PolarHBondContact O-N 2.83Å
96	S	94.9	Very high	96	Very high	40 Å²	40	57 Å²	57	28%	0.28	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.3	172.7	57.1	0	0	0	0	110.1	F104	S96-F104 CarbonylContact C-O 3.56Å; S96-F104 WeakPolarHBondContact CA-O 3.27Å
97	R	93.8	Very high	96	Very high	173 Å²	173	53.5 Å²	53.5	65%	0.653	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.4	119.9	176.7	-176.1	-177.9	-178.7	-179.8	4.5	110.3	F104	R97-F104 PolarHBondContact N-O 3.45Å; R97-F104 PolarHBondContact O-N 2.7Å
98	M	93.4	Very high	95.9	Very high	65 Å²	65	53.3 Å²	53.3	32%	0.32	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.2	170.7	-167.8	177	177.7	0	0	110.7	K126 L129	M98-K126 HydrophobicContact CE-CG 4.25Å; M98-L129 HydrophobicContact CE-CB 3.84Å; M98-L129 HydrophobicContact CE-CD2 4.3Å; M98-L129 HydrophobicContact SD-CB 4.32Å
99	K	92.9	Very high	95.7	Very high	144 Å²	144	53.3 Å²	53.3	63%	0.626	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.5	95.2	175.1	-171.5	179.6	179.2	-176.1	0	109.6	K101 L102	K99-K101 PolarHBondContact O-N 2.63Å; K99-K101 VanDerWaalsContact O-N 3.15Å; K99-L102 CarbonylContact C-O 3.59Å; K99-L102 PolarHBondContact N-O 2.76Å; K99-L102 PolarHBondContact O-N 3.25Å; K99-L102 VanDerWaalsContact O-N 3.1Å
100	G	92.2	Very high	95.4	Very high	58 Å²	58	56.8 Å²	56.8	60%	0.598	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	-111	177.2	0	0	0	0	0	112.6
101	K	95.5	Very high	94.9	Very high	158 Å²	158	53.3 Å²	53.3	69%	0.687	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	7.7	178.1	-66.6	-173.9	178.9	-177.1	0	113.5	K99 S119 V120 L129	K99-K101 PolarHBondContact O-N 2.63Å; K99-K101 VanDerWaalsContact O-N 3.15Å; K101-S119 WeakPolarHBondContact O-CA 3.46Å; K101-V120 HydrophobicContact CB-CB 4.17Å; K101-V120 HydrophobicContact CB-CG2 4.01Å; K101-V120 HydrophobicContact CG-CB 4.48Å; K101-V120 HydrophobicContact CG-CG2 4.34Å; K101-V120 PolarHBondContact O-N 2.94Å; K101-L129 WeakPolarHBondContact O-CD2 3.37Å
102	L	96.3	Very high	94.7	Very high	60 Å²	60	55.4 Å²	55.4	31%	0.314	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.4	-179.7	-60.1	175.4	0	0	0	110.6	K99 F104 L118	K99-L102 CarbonylContact C-O 3.59Å; K99-L102 PolarHBondContact N-O 2.76Å; K99-L102 PolarHBondContact O-N 3.25Å; K99-L102 VanDerWaalsContact O-N 3.1Å; L102-F104 HydrophobicContact CB-CD2 4.32Å; L102-F104 HydrophobicContact CB-CE2 3.65Å; L102-F104 HydrophobicContact CB-CZ 4.21Å; L102-F104 HydrophobicContact CD1-CE2 3.89Å; L102-F104 HydrophobicContact CD1-CZ 3.8Å; L102-F104 HydrophobicContact CG-CE2 4.4Å; L102-L118 CarbonylContact C-O 3.37Å; L102-L118 VanDerWaalsContact CA-O 3.28Å; L102-L118 WeakPolarHBondContact CA-O 3.24Å
103	C	96.3	Very high	94.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.1	166.1	-173	0	0	0	0	108.8	L118 L129	C103-L118 HydrophobicContact CB-CB 4.21Å; C103-L118 PolarHBondContact N-O 2.87Å; C103-L118 PolarHBondContact O-N 2.76Å; C103-L129 HydrophobicContact CB-CB 4.1Å; C103-L129 HydrophobicContact CB-CD2 4.19Å; C103-L129 HydrophobicContact CB-CG 3.8Å
104	F	96.3	Very high	94.5	Very high	63 Å²	63	53.3 Å²	53.3	28%	0.276	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.8	177	-63.3	-91.1	0	0	0	108.7	S96 R97 L102 N116 V117	S96-F104 CarbonylContact C-O 3.56Å; S96-F104 WeakPolarHBondContact CA-O 3.27Å; R97-F104 PolarHBondContact N-O 3.45Å; R97-F104 PolarHBondContact O-N 2.7Å; L102-F104 HydrophobicContact CB-CD2 4.32Å; L102-F104 HydrophobicContact CB-CE2 3.65Å; L102-F104 HydrophobicContact CB-CZ 4.21Å; L102-F104 HydrophobicContact CD1-CE2 3.89Å; L102-F104 HydrophobicContact CD1-CZ 3.8Å; L102-F104 HydrophobicContact CG-CE2 4.4Å; F104-N116 WeakPolarHBondContact CA-O 3.33Å; F104-V117 HydrophobicContact CD1-CG1 4.21Å; F104-V117 HydrophobicContact CD1-CG2 3.81Å; F104-V117 HydrophobicContact CE1-CB 4.49Å; F104-V117 HydrophobicContact CE1-CG1 3.86Å; F104-V117 HydrophobicContact CE1-CG2 3.86Å; F104-V117 HydrophobicContact CZ-CG1 4.38Å
105	F	97.2	Very high	94.6	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148	175.2	60.9	-80.1	0	0	0	111.9	L93 R95 N116 L118 V132 I141 V143 C166 V169	L93-F105 HydrophobicContact CD1-CB 3.74Å; L93-F105 HydrophobicContact CD1-CD2 3.89Å; L93-F105 HydrophobicContact CD1-CG 4.21Å; R95-F105 CarbonylContact O-C 3.56Å; R95-F105 WeakPolarHBondContact O-CA 3.27Å; R95-F105 WeakPolarHBondContact O-CB 3.13Å; F105-N116 HydrophobicContact CD1-CB 3.87Å; F105-N116 HydrophobicContact CD2-CB 3.64Å; F105-N116 HydrophobicContact CE1-CB 3.54Å; F105-N116 HydrophobicContact CE2-CB 3.3Å; F105-N116 HydrophobicContact CG-CB 3.92Å; F105-N116 HydrophobicContact CZ-CB 3.25Å; F105-N116 PolarHBondContact N-O 3.39Å; F105-N116 WeakPolarHBondContact O-CB 3.43Å; F105-N116 PolarHBondContact O-N 3.21Å; F105-N116 PolarHBondContact O-ND2 3.28Å; F105-L118 HydrophobicContact CE1-CD1 3.84Å; F105-L118 HydrophobicContact CE1-CG 4.06Å; F105-V132 HydrophobicContact CD1-CG1 3.75Å; F105-V132 HydrophobicContact CE1-CG1 3.91Å; F105-V132 HydrophobicContact CG-CG1 4.13Å; F105-V132 HydrophobicContact CZ-CG1 4.39Å; F105-I141 HydrophobicContact CD2-CD1 4.12Å; F105-I141 HydrophobicContact CE2-CD1 3.88Å; F105-V143 HydrophobicContact CE2-CG2 3.83Å; F105-V143 HydrophobicContact CZ-CG1 4.37Å; F105-V143 HydrophobicContact CZ-CG2 4.23Å; F105-C166 HydrophobicContact CZ-CB 4.49Å; F105-V169 HydrophobicContact CE1-CG2 4.49Å; F105-V169 HydrophobicContact CZ-CG2 3.86Å
106	I	96.9	Very high	94.8	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.2	178.8	-56.2	-51.7	0	0	0	108.4	H94 R95 R113 I114 Q115	H94-I106 HydrophobicContact CB-CB 4.21Å; H94-I106 HydrophobicContact CB-CG2 4.12Å; H94-I106 WeakPolarHBondContact CB-O 3.41Å; H94-I106 PolarHBondContact N-O 3.28Å; R95-I106 HydrophobicContact CG-CB 3.93Å; R95-I106 HydrophobicContact CG-CG1 3.63Å; R95-I106 VanDerWaalsContact NE-CG1 3.31Å; R95-I106 PolarHBondContact O-N 2.83Å; I106-R113 HydrophobicContact CG2-CB 3.93Å; I106-R113 HydrophobicContact CG2-CG 4.23Å; I106-I114 WeakPolarHBondContact CA-O 3.31Å; I106-Q115 HydrophobicContact CD1-CB 3.73Å; I106-Q115 HydrophobicContact CD1-CG 4.16Å
107	L	97.2	Very high	94.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.6	170.8	-168.3	73.2	0	0	0	108.3	L74 V89 G91 R92 R113 I114 N116 I141 V143	L74-L107 HydrophobicContact CD2-CD2 4.18Å; V89-L107 HydrophobicContact CB-CD2 4.2Å; V89-L107 HydrophobicContact CG2-CD2 3.51Å; G91-L107 WeakPolarHBondContact O-CD1 3.31Å; R92-L107 WeakPolarHBondContact O-CA 3.35Å; L107-R113 WeakPolarHBondContact O-CA 3.34Å; L107-I114 HydrophobicContact CB-CG2 3.89Å; L107-I114 PolarHBondContact N-O 3.33Å; L107-I114 PolarHBondContact O-N 2.84Å; L107-N116 VanDerWaalsContact CB-ND2 3.29Å; L107-N116 WeakPolarHBondContact CB-ND2 3.11Å; L107-N116 PolarHBondContact N-ND2 3.04Å; L107-I141 HydrophobicContact CD1-CD1 3.79Å; L107-I141 HydrophobicContact CD1-CG1 3.36Å; L107-V143 HydrophobicContact CD2-CG2 4.23Å
108	R	96.1	Very high	95	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.7	-178.6	179.2	-174.8	62.1	153.9	0.5	110.8	G91 R92 H94 Q110 Y112 R113 E138 I183 R213	G91-R108 CarbonylContact C-O 3.55Å; G91-R108 WeakPolarHBondContact CA-O 3.41Å; R92-R108 PolarHBondContact N-O 3.39Å; R92-R108 PolarHBondContact O-N 2.97Å; H94-R108 HydrophobicContact CB-CB 4.04Å; R108-Q110 WeakPolarHBondContact CG-O 3.48Å; R108-Y112 VanDerWaalsContact CA-O 3.28Å; R108-Y112 WeakPolarHBondContact CA-O 3.36Å; R108-Y112 WeakPolarHBondContact CG-O 3.22Å; R108-R113 HydrophobicContact CB-CG 4.11Å; R108-R113 HydrophobicContact CG-CG 3.99Å; R108-E138 IonicContact CZ-OE1 3.58Å; R108-E138 IonicContact NH2-OE1 2.71Å; R108-E138 PolarHBondContact NH2-OE1 3.3Å; R108-E138 IonicContact NH2-OE2 2.85Å; R108-E138 PolarHBondContact NH2-OE2 3.41Å; R108-I183 VanDerWaalsContact NH1-CG2 3.26Å; R108-R213 PolarHBondContact NH1-O 3.11Å
109	L	94.3	Very high	95.1	Very high	52 Å²	52	39.1 Å²	39.1	27%	0.272	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	111.2	168.1	-175	65.2	0	0	0	107.6	E73 L74 D111 Y112	E73-L109 WeakPolarHBondContact OE2-CD2 3.41Å; L74-L109 HydrophobicContact CB-CB 4.29Å; L74-L109 HydrophobicContact CD1-CB 3.47Å; L74-L109 VanDerWaalsContact CD1-CB 3.47Å; L74-L109 HydrophobicContact CG-CB 3.68Å; L74-L109 HydrophobicContact CG-CD2 4.21Å; L109-D111 PolarHBondContact O-N 2.65Å; L109-Y112 PolarHBondContact N-O 2.83Å; L109-Y112 PolarHBondContact O-N 2.91Å
110	Q	91.2	Very high	95.2	Very high	74 Å²	74	34.8 Å²	34.8	35%	0.346	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-121	-171.9	-57	168.1	-21.2	0	0	110.5	R108 Q218	R108-Q110 WeakPolarHBondContact CG-O 3.48Å; Q110-Q218 HydrophobicContact CB-CG 4.43Å
111	D	87.5	Confident	95.2	Very high	18 Å²	18	33.9 Å²	33.9	10%	0.096	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-21.9	176.9	57.3	-56.4	0	0	0	113.6	L109 P215 I352	L109-D111 PolarHBondContact O-N 2.65Å; D111-P215 HydrophobicContact CB-CB 4.09Å; D111-I352 HydrophobicContact CB-CD1 4.24Å
112	Y	92.6	Very high	94.7	Very high	47 Å²	47	35.4 Å²	35.4	18%	0.184	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.1	-178.7	-62.4	-87.4	0	0	0	112.7	R75 R108 L109	R75-Y112 HydrophobicContact CB-CD1 3.95Å; R75-Y112 HydrophobicContact CB-CD2 4.02Å; R75-Y112 HydrophobicContact CB-CE1 3.53Å; R75-Y112 HydrophobicContact CB-CE2 3.62Å; R75-Y112 HydrophobicContact CB-CG 4.17Å; R108-Y112 VanDerWaalsContact CA-O 3.28Å; R108-Y112 WeakPolarHBondContact CA-O 3.36Å; R108-Y112 WeakPolarHBondContact CG-O 3.22Å; L109-Y112 PolarHBondContact N-O 2.83Å; L109-Y112 PolarHBondContact O-N 2.91Å
113	R	94.8	Very high	94.2	Very high	27 Å²	27	39.7 Å²	39.7	10%	0.102	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	129.3	-178.9	-71	167.5	-162.9	-164.6	-3.6	110.4	I106 L107 R108 G156 C157 N158 M187	I106-R113 HydrophobicContact CG2-CB 3.93Å; I106-R113 HydrophobicContact CG2-CG 4.23Å; L107-R113 WeakPolarHBondContact O-CA 3.34Å; R108-R113 HydrophobicContact CB-CG 4.11Å; R108-R113 HydrophobicContact CG-CG 3.99Å; R113-G156 WeakPolarHBondContact CD-O 3.37Å; R113-C157 HydrophobicContact CB-CB 4.49Å; R113-C157 WeakPolarHBondContact O-CA 3.16Å; R113-C157 VanDerWaalsContact O-CB 3.27Å; R113-C157 WeakPolarHBondContact O-CB 3.36Å; R113-N158 PolarHBondContact N-O 2.82Å; R113-N158 CarbonylContact O-C 3.46Å; R113-N158 PolarHBondContact O-N 3.42Å; R113-M187 PolarHBondContact NH2-SD 3.32Å
114	I	96.6	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138	179.3	-172.6	62.1	0	0	0	110.4	L74 L77 I106 L107 N116 I162 I164	L74-I114 HydrophobicContact CD1-CG2 4.09Å; L74-I114 HydrophobicContact CD2-CG2 3.98Å; L77-I114 HydrophobicContact CD1-CB 4.34Å; L77-I114 HydrophobicContact CD1-CG1 4.1Å; L77-I114 HydrophobicContact CD1-CG2 4.31Å; I106-I114 WeakPolarHBondContact CA-O 3.31Å; L107-I114 HydrophobicContact CB-CG2 3.89Å; L107-I114 PolarHBondContact N-O 3.33Å; L107-I114 PolarHBondContact O-N 2.84Å; I114-N116 PolarHBondContact O-ND2 3.37Å; I114-I162 HydrophobicContact CD1-CD1 3.8Å; I114-I162 HydrophobicContact CD1-CG1 3.65Å; I114-I162 VanDerWaalsContact CD1-O 3.26Å; I114-I162 WeakPolarHBondContact CD1-O 3.41Å; I114-I164 HydrophobicContact CG1-CD1 4.07Å; I114-I164 HydrophobicContact CG1-CG1 4Å; I114-I164 HydrophobicContact CG2-CD1 4.32Å
115	Q	97	Very high	93.8	Very high	33 Å²	33	39.7 Å²	39.7	15%	0.154	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.3	171.3	175.9	167.1	-79.7	0	0	110.8	I106 V117 I154 E163 I164	I106-Q115 HydrophobicContact CD1-CB 3.73Å; I106-Q115 HydrophobicContact CD1-CG 4.16Å; Q115-V117 HydrophobicContact CG-CG2 4.21Å; Q115-I154 HydrophobicContact CB-CD1 3.95Å; Q115-I154 HydrophobicContact CB-CG2 3.89Å; Q115-E163 HydrophobicContact CB-CB 4.27Å; Q115-E163 HydrophobicContact CG-CB 4.36Å; Q115-E163 PolarHBondContact NE2-OE2 2.94Å; Q115-E163 CarbonylContact O-C 3.53Å; Q115-E163 WeakPolarHBondContact O-CA 3.5Å; Q115-I164 PolarHBondContact O-N 3.31Å
116	N	97.5	Very high	93.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.8	179.2	-61.5	-93.2	0	0	0	108.3	F104 F105 L107 I114 I164 C166	F104-N116 WeakPolarHBondContact CA-O 3.33Å; F105-N116 HydrophobicContact CD1-CB 3.87Å; F105-N116 HydrophobicContact CD2-CB 3.64Å; F105-N116 HydrophobicContact CE1-CB 3.54Å; F105-N116 HydrophobicContact CE2-CB 3.3Å; F105-N116 HydrophobicContact CG-CB 3.92Å; F105-N116 HydrophobicContact CZ-CB 3.25Å; F105-N116 PolarHBondContact N-O 3.39Å; F105-N116 WeakPolarHBondContact O-CB 3.43Å; F105-N116 PolarHBondContact O-N 3.21Å; F105-N116 PolarHBondContact O-ND2 3.28Å; L107-N116 VanDerWaalsContact CB-ND2 3.29Å; L107-N116 WeakPolarHBondContact CB-ND2 3.11Å; L107-N116 PolarHBondContact N-ND2 3.04Å; I114-N116 PolarHBondContact O-ND2 3.37Å; N116-I164 CarbonylContact C-O 3.44Å; N116-I164 WeakPolarHBondContact CA-O 3.36Å; N116-C166 VanDerWaalsContact CB-SG 3.56Å
117	V	97.1	Very high	93.4	Very high	12 Å²	12	50.2 Å²	50.2	7%	0.073	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.1	-174.4	-171.3	0	0	0	0	109.4	F104 Q115 E163 I164 C166	F104-V117 HydrophobicContact CD1-CG1 4.21Å; F104-V117 HydrophobicContact CD1-CG2 3.81Å; F104-V117 HydrophobicContact CE1-CB 4.49Å; F104-V117 HydrophobicContact CE1-CG1 3.86Å; F104-V117 HydrophobicContact CE1-CG2 3.86Å; F104-V117 HydrophobicContact CZ-CG1 4.38Å; Q115-V117 HydrophobicContact CG-CG2 4.21Å; V117-E163 WeakPolarHBondContact CG2-OE2 3.46Å; V117-I164 PolarHBondContact N-O 3.12Å; V117-C166 PolarHBondContact O-N 2.89Å
118	L	96.8	Very high	93.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.1	166.8	-76.1	164	0	0	0	109.2	L102 C103 F105 T124 M128 L129 V132 C166 V169	L102-L118 CarbonylContact C-O 3.37Å; L102-L118 VanDerWaalsContact CA-O 3.28Å; L102-L118 WeakPolarHBondContact CA-O 3.24Å; C103-L118 HydrophobicContact CB-CB 4.21Å; C103-L118 PolarHBondContact N-O 2.87Å; C103-L118 PolarHBondContact O-N 2.76Å; F105-L118 HydrophobicContact CE1-CD1 3.84Å; F105-L118 HydrophobicContact CE1-CG 4.06Å; L118-T124 HydrophobicContact CB-CG2 4.49Å; L118-T124 HydrophobicContact CD2-CG2 3.81Å; L118-M128 HydrophobicContact CD1-CE 4.17Å; L118-M128 HydrophobicContact CD2-CE 3.56Å; L118-M128 HydrophobicContact CD2-SD 4.16Å; L118-L129 HydrophobicContact CB-CD1 4.05Å; L118-L129 HydrophobicContact CB-CG 4.15Å; L118-V132 HydrophobicContact CD1-CB 3.97Å; L118-V132 HydrophobicContact CD1-CG1 4.08Å; L118-V132 HydrophobicContact CD1-CG2 3.64Å; L118-C166 HydrophobicContact CD2-CB 3.55Å; L118-C166 WeakPolarHBondContact CD2-O 3.38Å; L118-C166 HydrophobicContact CG-CB 3.86Å; L118-V169 HydrophobicContact CD1-CG2 4.1Å
119	S	96	Very high	93.2	Very high	65 Å²	65	50 Å²	50	46%	0.455	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138	173.1	179.7	0	0	0	0	110	K101 G121 T124	K101-S119 WeakPolarHBondContact O-CA 3.46Å; S119-G121 PolarHBondContact O-N 2.68Å; S119-T124 WeakPolarHBondContact O-CB 3.47Å; S119-T124 VanDerWaalsContact O-CG2 3.31Å; S119-T124 WeakPolarHBondContact O-CG2 3.38Å
120	V	94.2	Very high	93.2	Very high	52 Å²	52	49.7 Å²	49.7	32%	0.315	26%	0.263	S	S	.	.			trans	-57.7	126.5	174.3	176.9	0	0	0	0	109.6	K101 T124 K126 L129	K101-V120 HydrophobicContact CB-CB 4.17Å; K101-V120 HydrophobicContact CB-CG2 4.01Å; K101-V120 HydrophobicContact CG-CB 4.48Å; K101-V120 HydrophobicContact CG-CG2 4.34Å; K101-V120 PolarHBondContact O-N 2.94Å; V120-T124 WeakPolarHBondContact CA-O 3.37Å; V120-K126 HydrophobicContact CG2-CB 4.3Å; V120-L129 HydrophobicContact CG2-CD1 4.22Å; V120-L129 HydrophobicContact CG2-CD2 3.7Å
121	G	91.4	Very high	93.4	Very high	40 Å²	40	47.3 Å²	47.3	41%	0.412	25%	0.252	S	S	.	.			trans	-156.6	-175.7	179.9	0	0	0	0	0	110.8	S119 Q123 T124	S119-G121 PolarHBondContact O-N 2.68Å; G121-Q123 VanDerWaalsContact C-N 3.31Å; G121-Q123 PolarHBondContact O-N 3.48Å; G121-T124 PolarHBondContact N-O 3.3Å; G121-T124 CarbonylContact O-C 3.56Å; G121-T124 PolarHBondContact O-N 2.82Å; G121-T124 VanDerWaalsContact O-O 3.13Å
122	E	86.1	Confident	93.8	Very high	190 Å²	190	46.5 Å²	46.5	89%	0.888	25%	0.247	S	C	*	.	S	Bend	trans	-59.1	-41.2	-178.3	-171.4	177.4	-177.9	0	0	112.4
123	Q	85.4	Confident	93.9	Very high	150 Å²	150	46.3 Å²	46.3	70%	0.701	25%	0.253	S	S	*	.	S	Bend	trans	-92.7	-5.5	179.2	-57.9	-59.4	-30.1	0	0	113.6	G121 P125	G121-Q123 VanDerWaalsContact C-N 3.31Å; G121-Q123 PolarHBondContact O-N 3.48Å; Q123-P125 WeakPolarHBondContact O-CD 3.25Å
124	T	91.8	Very high	93.9	Very high	15 Å²	15	49.3 Å²	49.3	9%	0.092	28%	0.278	C	S	.	.	S	Bend	trans	-128.2	81.3	-173.8	-52.6	0	0	0	0	108.6	L118 S119 V120 G121 M128 L129	L118-T124 HydrophobicContact CB-CG2 4.49Å; L118-T124 HydrophobicContact CD2-CG2 3.81Å; S119-T124 WeakPolarHBondContact O-CB 3.47Å; S119-T124 VanDerWaalsContact O-CG2 3.31Å; S119-T124 WeakPolarHBondContact O-CG2 3.38Å; V120-T124 WeakPolarHBondContact CA-O 3.37Å; G121-T124 PolarHBondContact N-O 3.3Å; G121-T124 CarbonylContact O-C 3.56Å; G121-T124 PolarHBondContact O-N 2.82Å; G121-T124 VanDerWaalsContact O-O 3.13Å; T124-M128 HydrophobicContact CG2-SD 3.83Å; T124-L129 HydrophobicContact CG2-CD1 3.61Å
125	P	92.2	Very high	93.8	Very high	48 Å²	48	50 Å²	50	31%	0.312	28%	0.282	S	S	.	.			trans	-67.8	159.1	-177.7	29.9	-36.2	0	0	0	111	Y55 Q123 E127 M128	Y55-P125 HydrophobicContact CE1-CG 4.26Å; Q123-P125 WeakPolarHBondContact O-CD 3.25Å; P125-E127 WeakPolarHBondContact CB-OE2 3.34Å; P125-E127 PolarHBondContact O-N 3.49Å; P125-M128 HydrophobicContact CG-CB 4.17Å; P125-M128 WeakPolarHBondContact O-CB 3.41Å; P125-M128 PolarHBondContact O-N 2.76Å
126	K	92.9	Very high	93.8	Very high	130 Å²	130	49.5 Å²	49.5	57%	0.565	28%	0.282	S	S	*	.	H	α-helix	trans	-62.2	-28.2	-178.9	-171.9	179.2	176.5	-172.5	0	111.8	M98 V120 M128 L129 A130	M98-K126 HydrophobicContact CE-CG 4.25Å; V120-K126 HydrophobicContact CG2-CB 4.3Å; K126-M128 VanDerWaalsContact C-N 3.3Å; K126-M128 PolarHBondContact O-N 3.44Å; K126-L129 WeakPolarHBondContact O-CB 3.34Å; K126-L129 PolarHBondContact O-N 3.34Å; K126-A130 PolarHBondContact O-N 2.83Å
127	E	92.7	Very high	93.7	Very high	97 Å²	97	53.1 Å²	53.1	45%	0.453	30%	0.297	S	S	.	.	H	α-helix	trans	-60.6	-37.2	174	-66.4	71.8	-162.5	0	0	111.7	P125 A130 F131	P125-E127 WeakPolarHBondContact CB-OE2 3.34Å; P125-E127 PolarHBondContact O-N 3.49Å; E127-A130 PolarHBondContact O-N 3.41Å; E127-F131 WeakPolarHBondContact O-CB 3.14Å; E127-F131 PolarHBondContact O-N 2.85Å
128	M	94.7	Very high	93.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-43.5	174.4	-178.6	177.7	177.7	0	0	111.2	A54 Y55 L118 T124 P125 K126 A130 F131 V132 V169	A54-M128 HydrophobicContact CB-SD 4.48Å; Y55-M128 HydrophobicContact CD1-CB 3.61Å; Y55-M128 HydrophobicContact CD1-CG 3.59Å; Y55-M128 HydrophobicContact CD1-SD 4.06Å; Y55-M128 HydrophobicContact CE1-CB 3.75Å; Y55-M128 HydrophobicContact CE1-CG 4.26Å; Y55-M128 HydrophobicContact CG-CB 4.07Å; Y55-M128 HydrophobicContact CG-CG 3.75Å; L118-M128 HydrophobicContact CD1-CE 4.17Å; L118-M128 HydrophobicContact CD2-CE 3.56Å; L118-M128 HydrophobicContact CD2-SD 4.16Å; T124-M128 HydrophobicContact CG2-SD 3.83Å; P125-M128 HydrophobicContact CG-CB 4.17Å; P125-M128 WeakPolarHBondContact O-CB 3.41Å; P125-M128 PolarHBondContact O-N 2.76Å; K126-M128 VanDerWaalsContact C-N 3.3Å; K126-M128 PolarHBondContact O-N 3.44Å; M128-A130 VanDerWaalsContact C-N 3.31Å; M128-A130 PolarHBondContact O-N 2.86Å; M128-F131 WeakPolarHBondContact O-CB 3.42Å; M128-F131 PolarHBondContact O-N 3.46Å; M128-V132 WeakPolarHBondContact O-CG2 3.33Å; M128-V132 PolarHBondContact O-N 2.84Å; M128-V169 HydrophobicContact CE-CB 4.13Å; M128-V169 HydrophobicContact CE-CG2 3.9Å
129	L	95.3	Very high	93.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-41.7	176.2	-81.6	66.4	0	0	0	111	M98 K101 C103 L118 V120 T124 K126 V132 S133	M98-L129 HydrophobicContact CE-CB 3.84Å; M98-L129 HydrophobicContact CE-CD2 4.3Å; M98-L129 HydrophobicContact SD-CB 4.32Å; K101-L129 WeakPolarHBondContact O-CD2 3.37Å; C103-L129 HydrophobicContact CB-CB 4.1Å; C103-L129 HydrophobicContact CB-CD2 4.19Å; C103-L129 HydrophobicContact CB-CG 3.8Å; L118-L129 HydrophobicContact CB-CD1 4.05Å; L118-L129 HydrophobicContact CB-CG 4.15Å; V120-L129 HydrophobicContact CG2-CD1 4.22Å; V120-L129 HydrophobicContact CG2-CD2 3.7Å; T124-L129 HydrophobicContact CG2-CD1 3.61Å; K126-L129 WeakPolarHBondContact O-CB 3.34Å; K126-L129 PolarHBondContact O-N 3.34Å; L129-V132 PolarHBondContact O-N 2.8Å; L129-S133 WeakPolarHBondContact O-CB 3.49Å; L129-S133 PolarHBondContact O-N 3.18Å; L129-S133 PolarHBondContact O-OG 3.42Å
130	A	93.3	Very high	93.9	Very high	46 Å²	46	51.7 Å²	51.7	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-44.7	176.3	0	0	0	0	0	111.4	K126 E127 M128 S133 S134	K126-A130 PolarHBondContact O-N 2.83Å; E127-A130 PolarHBondContact O-N 3.41Å; M128-A130 VanDerWaalsContact C-N 3.31Å; M128-A130 PolarHBondContact O-N 2.86Å; A130-S133 WeakPolarHBondContact CA-OG 3.48Å; A130-S133 PolarHBondContact O-N 3.37Å; A130-S133 PolarHBondContact O-OG 3.1Å; A130-S134 PolarHBondContact O-N 2.85Å; A130-S134 VanDerWaalsContact O-N 3.12Å
131	F	94.7	Very high	94.1	Very high	24 Å²	24	49.2 Å²	49.2	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-52.9	173.5	171.7	-100.5	0	0	0	111.7	Y55 G56 E127 M128 S133 S134 I135 V171	Y55-F131 HydrophobicContact CD2-CB 3.72Å; Y55-F131 AromaticContact CD2-CD1 3.5Å; Y55-F131 HydrophobicContact CD2-CD1 3.5Å; Y55-F131 HydrophobicContact CD2-CD2 4.23Å; Y55-F131 HydrophobicContact CD2-CE1 4.16Å; Y55-F131 AromaticContact CD2-CG 3.54Å; Y55-F131 HydrophobicContact CD2-CG 3.54Å; Y55-F131 HydrophobicContact CE2-CB 3.84Å; Y55-F131 HydrophobicContact CE2-CD1 4.44Å; Y55-F131 HydrophobicContact CE2-CG 4.06Å; Y55-F131 HydrophobicContact CG-CD1 4.16Å; G56-F131 VanDerWaalsContact C-CZ 3.47Å; G56-F131 VanDerWaalsContact CA-CZ 3.46Å; G56-F131 WeakPolarHBondContact O-CZ 3.08Å; E127-F131 WeakPolarHBondContact O-CB 3.14Å; E127-F131 PolarHBondContact O-N 2.85Å; M128-F131 WeakPolarHBondContact O-CB 3.42Å; M128-F131 PolarHBondContact O-N 3.46Å; F131-S133 VanDerWaalsContact C-N 3.27Å; F131-S133 PolarHBondContact O-N 3.34Å; F131-S134 PolarHBondContact O-N 2.79Å; F131-S134 PolarHBondContact O-OG 2.81Å; F131-I135 HydrophobicContact CD1-CD1 4.35Å; F131-I135 HydrophobicContact CE1-CD1 3.91Å; F131-I135 HydrophobicContact CE1-CG1 4.32Å; F131-I135 HydrophobicContact CZ-CD1 4.37Å; F131-I135 HydrophobicContact CZ-CG1 4.42Å; F131-I135 WeakPolarHBondContact O-CG1 3.28Å; F131-I135 PolarHBondContact O-N 2.87Å; F131-V171 HydrophobicContact CE1-CG2 4.32Å; F131-V171 HydrophobicContact CZ-CG2 3.81Å
132	V	96	Very high	94.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-35.7	-178.6	174.4	0	0	0	0	111.9	F105 L118 M128 L129 S134 I135 V169	F105-V132 HydrophobicContact CD1-CG1 3.75Å; F105-V132 HydrophobicContact CE1-CG1 3.91Å; F105-V132 HydrophobicContact CG-CG1 4.13Å; F105-V132 HydrophobicContact CZ-CG1 4.39Å; L118-V132 HydrophobicContact CD1-CB 3.97Å; L118-V132 HydrophobicContact CD1-CG1 4.08Å; L118-V132 HydrophobicContact CD1-CG2 3.64Å; M128-V132 WeakPolarHBondContact O-CG2 3.33Å; M128-V132 PolarHBondContact O-N 2.84Å; L129-V132 PolarHBondContact O-N 2.8Å; V132-S134 VanDerWaalsContact C-N 3.26Å; V132-S134 PolarHBondContact O-N 2.87Å; V132-I135 HydrophobicContact CB-CD1 4.47Å; V132-I135 HydrophobicContact CG2-CD1 4.41Å; V132-I135 PolarHBondContact O-N 3.15Å; V132-V169 HydrophobicContact CG2-CB 3.78Å; V132-V169 HydrophobicContact CG2-CG1 3.76Å; V132-V169 HydrophobicContact CG2-CG2 4.07Å
133	S	94.6	Very high	94.9	Very high	44 Å²	44	38.4 Å²	38.4	31%	0.308	21%	0.208	S	C	.	.	H	α-helix	trans	-68.4	-22.7	175.8	75.7	0	0	0	0	114	L129 A130 F131	L129-S133 WeakPolarHBondContact O-CB 3.49Å; L129-S133 PolarHBondContact O-N 3.18Å; L129-S133 PolarHBondContact O-OG 3.42Å; A130-S133 WeakPolarHBondContact CA-OG 3.48Å; A130-S133 PolarHBondContact O-N 3.37Å; A130-S133 PolarHBondContact O-OG 3.1Å; F131-S133 VanDerWaalsContact C-N 3.27Å; F131-S133 PolarHBondContact O-N 3.34Å
134	S	94.7	Very high	95.5	Very high	90 Å²	90	33 Å²	33	63%	0.629	18%	0.182	S	C	*	.	H	α-helix	trans	-93.3	-9.2	-179.9	72.7	0	0	0	0	113.9	A130 F131 V132 S136	A130-S134 PolarHBondContact O-N 2.85Å; A130-S134 VanDerWaalsContact O-N 3.12Å; F131-S134 PolarHBondContact O-N 2.79Å; F131-S134 PolarHBondContact O-OG 2.81Å; V132-S134 VanDerWaalsContact C-N 3.26Å; V132-S134 PolarHBondContact O-N 2.87Å; S134-S136 PolarHBondContact O-N 3.1Å
135	I	96.4	Very high	95.8	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.077	18%	0.177	C	C	.	.	S	Bend	trans	-60.8	126.5	173.2	-58.7	171.5	0	0	0	108.5	L93 F131 V132 I141 V169 V171	L93-I135 HydrophobicContact CD2-CB 3.59Å; L93-I135 HydrophobicContact CD2-CG2 3.49Å; L93-I135 VanDerWaalsContact CD2-CG2 3.49Å; L93-I135 WeakPolarHBondContact CD2-O 3.02Å; F131-I135 HydrophobicContact CD1-CD1 4.35Å; F131-I135 HydrophobicContact CE1-CD1 3.91Å; F131-I135 HydrophobicContact CE1-CG1 4.32Å; F131-I135 HydrophobicContact CZ-CD1 4.37Å; F131-I135 HydrophobicContact CZ-CG1 4.42Å; F131-I135 WeakPolarHBondContact O-CG1 3.28Å; F131-I135 PolarHBondContact O-N 2.87Å; V132-I135 HydrophobicContact CB-CD1 4.47Å; V132-I135 HydrophobicContact CG2-CD1 4.41Å; V132-I135 PolarHBondContact O-N 3.15Å; I135-I141 HydrophobicContact CD1-CG2 4.21Å; I135-I141 HydrophobicContact CG2-CG2 4.13Å; I135-V169 HydrophobicContact CD1-CG1 4.32Å; I135-V171 HydrophobicContact CD1-CG2 3.62Å; I135-V171 HydrophobicContact CG1-CG2 3.79Å; I135-V171 HydrophobicContact CG2-CG2 4.07Å
136	S	96.1	Very high	96.1	Very high	22 Å²	22	35.3 Å²	35.3	15%	0.154	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-64.1	143	176.8	49.2	0	0	0	0	111.1	S134 S139 A175	S134-S136 PolarHBondContact O-N 3.1Å; S136-S139 VanDerWaalsContact O-CB 3.24Å; S136-S139 WeakPolarHBondContact O-CB 3.15Å; S136-S139 PolarHBondContact O-N 2.89Å; S136-S139 PolarHBondContact O-OG 3.1Å; S136-S139 PolarHBondContact OG-OG 2.84Å; S136-A175 PolarHBondContact OG-O 2.88Å
137	K	95.6	Very high	96.3	Very high	75 Å²	75	29.1 Å²	29.1	33%	0.326	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	150.4	171.5	-64.8	-172.3	-178.6	-171.7	0	110.8	S139 A175 E184	K137-S139 PolarHBondContact O-N 3.29Å; K137-A175 VanDerWaalsContact O-CB 3.25Å; K137-A175 WeakPolarHBondContact O-CB 3.29Å; K137-E184 IonicContact NZ-OE1 3.54Å; K137-E184 PolarHBondContact NZ-OE1 3.35Å; K137-E184 IonicContact NZ-OE2 3.99Å
138	E	97	Very high	96.5	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.023	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-4	-176.2	-62.5	-65.2	94.9	0	0	116.9	R92 L93 R108 A175 L179 I183 R213	R92-E138 PolarHBondContact NH1-O 3.42Å; L93-E138 PolarHBondContact O-N 3.08Å; R108-E138 IonicContact CZ-OE1 3.58Å; R108-E138 IonicContact NH2-OE1 2.71Å; R108-E138 PolarHBondContact NH2-OE1 3.3Å; R108-E138 IonicContact NH2-OE2 2.85Å; R108-E138 PolarHBondContact NH2-OE2 3.41Å; E138-A175 HydrophobicContact CB-CB 4.1Å; E138-L179 HydrophobicContact CB-CD1 3.8Å; E138-L179 HydrophobicContact CG-CD1 3.36Å; E138-I183 HydrophobicContact CG-CG1 4.48Å; E138-R213 WeakPolarHBondContact OE2-CD 3.4Å; E138-R213 IonicContact OE2-CZ 3.82Å; E138-R213 IonicContact OE2-NE 3.85Å; E138-R213 IonicContact OE2-NH1 3.76Å; E138-R213 PolarHBondContact OE2-NH1 3.16Å
139	S	98.1	Very high	96.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	17%	0.169	C	C	.	.			trans	-57.6	140.1	169.6	-65.5	0	0	0	0	110.6	R92 L93 S136 K137 S173 A175	R92-S139 CarbonylContact C-O 3.53Å; R92-S139 WeakPolarHBondContact CA-O 3.49Å; L93-S139 PolarHBondContact N-O 2.94Å; S136-S139 VanDerWaalsContact O-CB 3.24Å; S136-S139 WeakPolarHBondContact O-CB 3.15Å; S136-S139 PolarHBondContact O-N 2.89Å; S136-S139 PolarHBondContact O-OG 3.1Å; S136-S139 PolarHBondContact OG-OG 2.84Å; K137-S139 PolarHBondContact O-N 3.29Å; S139-S173 CarbonylContact C-O 3.48Å; S139-S173 VanDerWaalsContact CA-O 3.29Å; S139-S173 WeakPolarHBondContact CA-O 3.25Å; S139-A175 PolarHBondContact OG-N 3.13Å
140	I	98.3	Very high	96.4	Very high	42 Å²	42	33 Å²	33	22%	0.215	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125	173.2	-57.9	175.1	0	0	0	107.7	R90 G91 R92 V172 S173	R90-I140 HydrophobicContact CG-CG2 3.91Å; G91-I140 CarbonylContact O-C 3.52Å; G91-I140 WeakPolarHBondContact O-CA 3.32Å; R92-I140 HydrophobicContact CG-CG1 4.26Å; I140-V172 HydrophobicContact CB-CB 4.36Å; I140-V172 HydrophobicContact CG2-CB 4.05Å; I140-V172 HydrophobicContact CG2-CG2 4.27Å; I140-V172 PolarHBondContact O-N 3.22Å; I140-S173 PolarHBondContact N-O 2.82Å; I140-S173 PolarHBondContact O-N 2.76Å; I140-S173 VanDerWaalsContact O-N 3.16Å
141	I	98.1	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.2	-178.4	67.6	174.6	0	0	0	111.2	R90 G91 L93 F105 L107 I135 V143 V169 F170 V171	R90-I141 WeakPolarHBondContact CA-O 3.08Å; G91-I141 PolarHBondContact N-O 2.84Å; G91-I141 VanDerWaalsContact N-O 3.09Å; G91-I141 PolarHBondContact O-N 2.62Å; L93-I141 HydrophobicContact CB-CD1 4.29Å; L93-I141 HydrophobicContact CD1-CD1 4.17Å; F105-I141 HydrophobicContact CD2-CD1 4.12Å; F105-I141 HydrophobicContact CE2-CD1 3.88Å; L107-I141 HydrophobicContact CD1-CD1 3.79Å; L107-I141 HydrophobicContact CD1-CG1 3.36Å; I135-I141 HydrophobicContact CD1-CG2 4.21Å; I135-I141 HydrophobicContact CG2-CG2 4.13Å; I141-V143 HydrophobicContact CD1-CG2 3.94Å; I141-V143 HydrophobicContact CG1-CG2 4.09Å; I141-V169 HydrophobicContact CD1-CG1 4.16Å; I141-F170 CarbonylContact C-O 3.5Å; I141-F170 WeakPolarHBondContact CA-O 3.42Å; I141-F170 WeakPolarHBondContact CB-O 3.28Å; I141-V171 HydrophobicContact CG2-CG2 4.12Å
142	D	97.7	Very high	96.2	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.7	166.3	-69.5	-21.1	0	0	0	109.1	L58 Y71 W88 V89 R90 V169 F170 V172	L58-D142 WeakPolarHBondContact CD1-OD2 3.48Å; Y71-D142 HydrophobicContact CE1-CB 4.44Å; Y71-D142 WeakPolarHBondContact CE1-OD1 3.32Å; Y71-D142 PolarHBondContact OH-OD2 2.86Å; Y71-D142 VanDerWaalsContact OH-OD2 3.07Å; W88-D142 HydrophobicContact CE3-CB 4.25Å; W88-D142 HydrophobicContact CZ3-CB 3.99Å; V89-D142 WeakPolarHBondContact O-CA 3.44Å; R90-D142 WeakPolarHBondContact CB-OD1 3.42Å; R90-D142 WeakPolarHBondContact CG-OD1 3.31Å; R90-D142 IonicContact CZ-OD1 2.96Å; R90-D142 IonicContact CZ-OD2 2.62Å; R90-D142 IonicContact NE-OD1 3.33Å; R90-D142 PolarHBondContact NE-OD1 2.85Å; R90-D142 IonicContact NE-OD2 3.34Å; R90-D142 IonicContact NH2-OD1 2.81Å; R90-D142 PolarHBondContact NH2-OD1 3.44Å; R90-D142 IonicContact NH2-OD2 3.99Å; R90-D142 PolarHBondContact NH2-OD2 3.17Å; D142-V169 CarbonylContact O-C 3.54Å; D142-V169 WeakPolarHBondContact O-CA 3.08Å; D142-F170 HydrophobicContact CB-CB 4.45Å; D142-F170 PolarHBondContact N-O 2.91Å; D142-F170 PolarHBondContact O-N 2.83Å; D142-V172 HydrophobicContact CB-CG2 4.29Å; D142-V172 VanDerWaalsContact CG-CG2 3.41Å; D142-V172 WeakPolarHBondContact OD1-CG2 3.44Å; D142-V172 WeakPolarHBondContact OD2-CG2 3.28Å
143	V	97.8	Very high	96.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.8	179.7	-179.3	0	0	0	0	108.4	W88 V89 F105 L107 I141 I164 C166 K168 V169	W88-V143 CarbonylContact C-O 3.46Å; W88-V143 WeakPolarHBondContact CA-O 3.27Å; V89-V143 HydrophobicContact CG2-CB 3.79Å; V89-V143 HydrophobicContact CG2-CG1 4.43Å; V89-V143 PolarHBondContact N-O 2.92Å; V89-V143 PolarHBondContact O-N 3Å; F105-V143 HydrophobicContact CE2-CG2 3.83Å; F105-V143 HydrophobicContact CZ-CG1 4.37Å; F105-V143 HydrophobicContact CZ-CG2 4.23Å; L107-V143 HydrophobicContact CD2-CG2 4.23Å; I141-V143 HydrophobicContact CD1-CG2 3.94Å; I141-V143 HydrophobicContact CG1-CG2 4.09Å; V143-I164 HydrophobicContact CG1-CG2 4.46Å; V143-C166 HydrophobicContact CG1-CB 4.16Å; V143-C166 WeakPolarHBondContact CG1-SG 3.36Å; V143-K168 WeakPolarHBondContact CA-O 3.36Å; V143-V169 HydrophobicContact CG1-CG2 4.46Å
144	F	98	Very high	96	Very high	35 Å²	35	44.1 Å²	44.1	15%	0.154	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.6	168	-178.5	-112.5	0	0	0	109.2	N86 V87 W88 E167 K168	N86-F144 HydrophobicContact CB-CE2 3.86Å; N86-F144 HydrophobicContact CB-CZ 3.68Å; V87-F144 WeakPolarHBondContact O-CA 3.35Å; V87-F144 WeakPolarHBondContact O-CD2 3.27Å; W88-F144 AromaticContact CD1-CD2 3.42Å; W88-F144 VanDerWaalsContact CD1-CD2 3.42Å; W88-F144 AromaticContact CD1-CE2 3.86Å; W88-F144 HydrophobicContact CD2-CB 3.77Å; W88-F144 AromaticContact CD2-CD2 3.83Å; W88-F144 HydrophobicContact CD2-CD2 3.83Å; W88-F144 HydrophobicContact CD2-CG 4.19Å; W88-F144 AromaticContact CE2-CD2 3.52Å; W88-F144 AromaticContact CE2-CG 3.78Å; W88-F144 HydrophobicContact CE3-CB 3.84Å; W88-F144 AromaticContact CG-CD2 3.81Å; W88-F144 HydrophobicContact CG-CD2 3.81Å; W88-F144 HydrophobicContact CH2-CB 3.84Å; W88-F144 HydrophobicContact CZ2-CB 3.73Å; W88-F144 HydrophobicContact CZ2-CD2 4.21Å; W88-F144 HydrophobicContact CZ2-CG 4.02Å; W88-F144 HydrophobicContact CZ3-CB 3.87Å; W88-F144 AromaticContact NE1-CD2 3.21Å; W88-F144 AromaticContact NE1-CE2 3.67Å; W88-F144 AromaticContact NE1-CG 3.92Å; F144-E167 HydrophobicContact CD1-CB 4.03Å; F144-E167 WeakPolarHBondContact CE1-OE2 3.34Å; F144-E167 PolarHBondContact O-N 2.86Å; F144-K168 HydrophobicContact CB-CB 3.88Å; F144-K168 HydrophobicContact CB-CD 4.47Å; F144-K168 HydrophobicContact CB-CG 4.19Å; F144-K168 HydrophobicContact CD1-CD 4.24Å; F144-K168 HydrophobicContact CD1-CG 4.06Å; F144-K168 PolarHBondContact N-O 2.85Å; F144-K168 PolarHBondContact O-N 3.12Å; F144-K168 VanDerWaalsContact O-N 3.1Å
145	G	97.3	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	177.9	177.7	0	0	0	0	0	113.7	N86 V87 H165	N86-G145 CarbonylContact C-O 3.51Å; N86-G145 WeakPolarHBondContact CA-O 3.17Å; V87-G145 PolarHBondContact N-O 2.83Å; V87-G145 PolarHBondContact O-N 3.16Å; V87-G145 VanDerWaalsContact O-N 3.13Å; G145-H165 CarbonylContact C-O 3.39Å; G145-H165 WeakPolarHBondContact CA-O 3.38Å
146	R	97.7	Very high	95.3	Very high	113 Å²	113	50 Å²	50	43%	0.426	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.4	-178.3	-162.1	171.4	-175.1	-170.4	-0.7	111.5	N84 Q85 N86 L148 I164 H165	N84-R146 PolarHBondContact O-NE 2.86Å; N84-R146 PolarHBondContact O-NH2 2.85Å; Q85-R146 WeakPolarHBondContact O-CA 3.26Å; N86-R146 WeakPolarHBondContact OD1-CA 3.26Å; N86-R146 WeakPolarHBondContact OD1-CB 3.44Å; N86-R146 WeakPolarHBondContact OD1-CG 3.31Å; R146-L148 HydrophobicContact CG-CD2 4.05Å; R146-L148 HydrophobicContact CG-CG 4.44Å; R146-I164 WeakPolarHBondContact O-CA 3.49Å; R146-H165 PolarHBondContact N-O 2.92Å; R146-H165 PolarHBondContact O-N 2.99Å
147	V	97.7	Very high	95.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.8	173.8	-174.1	0	0	0	0	109.4	L77 N82 I83 N84 Q85 V87 I162 I164	L77-V147 HydrophobicContact CD2-CG2 4.06Å; N82-V147 WeakPolarHBondContact O-CB 3.27Å; I83-V147 HydrophobicContact CD1-CG1 4.04Å; N84-V147 VanDerWaalsContact CA-O 3.29Å; N84-V147 WeakPolarHBondContact CA-O 3.19Å; N84-V147 PolarHBondContact N-O 3.36Å; Q85-V147 PolarHBondContact O-N 3.12Å; V87-V147 HydrophobicContact CB-CG2 4.45Å; V87-V147 HydrophobicContact CG1-CG2 4.04Å; V87-V147 HydrophobicContact CG2-CG2 3.52Å; V147-I162 HydrophobicContact CG1-CB 4.32Å; V147-I162 HydrophobicContact CG1-CD1 3.88Å; V147-I164 HydrophobicContact CG2-CG1 4.44Å
148	L	97.2	Very high	94.8	Very high	37 Å²	37	49.9 Å²	49.9	19%	0.194	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152	178.9	-61.4	-179.4	0	0	0	110.8	N84 R146 S150 I162 E163 H165	N84-L148 VanDerWaalsContact OD1-CD2 3.31Å; N84-L148 WeakPolarHBondContact OD1-CD2 3.33Å; R146-L148 HydrophobicContact CG-CD2 4.05Å; R146-L148 HydrophobicContact CG-CG 4.44Å; L148-S150 PolarHBondContact O-N 2.59Å; L148-I162 CarbonylContact O-C 3.59Å; L148-I162 VanDerWaalsContact O-CA 3.26Å; L148-I162 WeakPolarHBondContact O-CA 3.35Å; L148-I162 WeakPolarHBondContact O-CB 3.24Å; L148-E163 PolarHBondContact N-O 2.99Å; L148-E163 PolarHBondContact O-N 2.87Å; L148-H165 HydrophobicContact CD1-CB 4.27Å
149	K	95.3	Very high	94.4	Very high	123 Å²	123	50.2 Å²	50.2	54%	0.535	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.1	169.3	-66.6	-171.3	176.9	-174.3	0	108.5	E80 I83	E80-K149 IonicContact OE1-NZ 2.79Å; E80-K149 PolarHBondContact OE1-NZ 3.45Å; E80-K149 IonicContact OE2-NZ 3.7Å; I83-K149 HydrophobicContact CG2-CG 4.2Å
150	S	93.4	Very high	94.2	Very high	19 Å²	19	53.1 Å²	53.1	13%	0.133	29%	0.287	C	S	.	.			trans	-73	138	176.1	179.7	0	0	0	0	109.6	L148 V152 T161	L148-S150 PolarHBondContact O-N 2.59Å; S150-V152 VanDerWaalsContact CB-O 3.28Å; S150-V152 WeakPolarHBondContact CB-O 3.29Å; S150-V152 PolarHBondContact O-N 3.44Å; S150-V152 PolarHBondContact OG-N 3.41Å; S150-V152 PolarHBondContact OG-O 3.39Å; S150-T161 PolarHBondContact N-O 2.84Å
151	P	90.1	Very high	94	Very high	120 Å²	120	54.4 Å²	54.4	78%	0.779	30%	0.297	S	S	*	.	S	Bend	trans	-70	-15.4	175.8	29.1	-35.3	0	0	0	113.1
152	V	92.9	Very high	93.9	Very high	100 Å²	100	54.6 Å²	54.6	61%	0.606	30%	0.298	S	S	*	.	S	Bend	trans	-136.6	152.9	179.3	-63.6	0	0	0	0	110.2	S150 I154	S150-V152 VanDerWaalsContact CB-O 3.28Å; S150-V152 WeakPolarHBondContact CB-O 3.29Å; S150-V152 PolarHBondContact O-N 3.44Å; S150-V152 PolarHBondContact OG-N 3.41Å; S150-V152 PolarHBondContact OG-O 3.39Å; V152-I154 PolarHBondContact O-N 2.94Å
153	L	93.4	Very high	93.8	Very high	118 Å²	118	55.5 Å²	55.5	62%	0.618	30%	0.302	S	S	*	.			trans	-64.5	133.7	172.3	-61.9	178.6	0	0	0	110.1	T161	L153-T161 HydrophobicContact CD2-CG2 3.84Å
154	I	93.1	Very high	93.8	Very high	9 Å²	9	55.5 Å²	55.5	5%	0.046	30%	0.302	C	S	.	.			trans	-97	97.9	-177.6	-60.1	154.2	0	0	0	108.6	Q115 V152 G156 C157 D160 I162 E163	Q115-I154 HydrophobicContact CB-CD1 3.95Å; Q115-I154 HydrophobicContact CB-CG2 3.89Å; V152-I154 PolarHBondContact O-N 2.94Å; I154-G156 PolarHBondContact O-N 2.87Å; I154-C157 HydrophobicContact CB-CB 4.18Å; I154-C157 HydrophobicContact CG2-CB 3.86Å; I154-C157 WeakPolarHBondContact O-CB 3.41Å; I154-C157 PolarHBondContact O-N 2.9Å; I154-C157 VanDerWaalsContact O-N 3.12Å; I154-D160 PolarHBondContact N-O 3.21Å; I154-D160 WeakPolarHBondContact O-CB 3.33Å; I154-I162 WeakPolarHBondContact CD1-O 3.39Å; I154-E163 HydrophobicContact CD1-CB 4.05Å
155	E	90	Very high	93.8	Very high	174 Å²	174	57.4 Å²	57.4	81%	0.813	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	130.8	-178.4	-66.6	178.7	-178.1	0	0	112.9	C157	E155-C157 VanDerWaalsContact C-N 3.28Å; E155-C157 PolarHBondContact O-N 3.37Å
156	G	86.3	Confident	93.8	Very high	54 Å²	54	57.8 Å²	57.8	56%	0.557	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	6.3	179.4	0	0	0	0	0	114.7	R113 I154	R113-G156 WeakPolarHBondContact CD-O 3.37Å; I154-G156 PolarHBondContact O-N 2.87Å
157	C	91.6	Very high	93.7	Very high	13 Å²	13	56.5 Å²	56.5	9%	0.088	31%	0.312	C	S	.	.			trans	-97.8	153.6	167.4	-78.5	0	0	0	0	111.3	R113 I154 E155 P159	R113-C157 HydrophobicContact CB-CB 4.49Å; R113-C157 WeakPolarHBondContact O-CA 3.16Å; R113-C157 VanDerWaalsContact O-CB 3.27Å; R113-C157 WeakPolarHBondContact O-CB 3.36Å; I154-C157 HydrophobicContact CB-CB 4.18Å; I154-C157 HydrophobicContact CG2-CB 3.86Å; I154-C157 WeakPolarHBondContact O-CB 3.41Å; I154-C157 PolarHBondContact O-N 2.9Å; I154-C157 VanDerWaalsContact O-N 3.12Å; E155-C157 VanDerWaalsContact C-N 3.28Å; E155-C157 PolarHBondContact O-N 3.37Å; C157-P159 WeakPolarHBondContact CB-O 3.37Å
158	N	89.3	Confident	93.6	Very high	82 Å²	82	59.9 Å²	59.9	44%	0.439	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-147.2	106.9	170.8	-178.5	10.7	0	0	0	106.6	R113	R113-N158 PolarHBondContact N-O 2.82Å; R113-N158 CarbonylContact O-C 3.46Å; R113-N158 PolarHBondContact O-N 3.42Å
159	P	89.5	Confident	93.7	Very high	11 Å²	11	58.1 Å²	58.1	7%	0.071	32%	0.318	C	S	.	.	S	Bend	cis	-68.5	147.7	1.1	30.1	-37.4	0	0	0	113.5	C157 I162	C157-P159 WeakPolarHBondContact CB-O 3.37Å; P159-I162 HydrophobicContact CB-CG1 4.05Å; P159-I162 HydrophobicContact CG-CD1 3.57Å; P159-I162 HydrophobicContact CG-CG1 3.47Å; P159-I162 VanDerWaalsContact CG-CG1 3.47Å
160	D	92.5	Very high	93.7	Very high	63 Å²	63	53.1 Å²	53.1	34%	0.337	30%	0.296	S	S	.	.			trans	-95.8	-5.9	178.9	60.8	-10.6	0	0	0	113.7	I154	I154-D160 PolarHBondContact N-O 3.21Å; I154-D160 WeakPolarHBondContact O-CB 3.33Å
161	T	94.5	Very high	94	Very high	69 Å²	69	52.5 Å²	52.5	42%	0.423	29%	0.292	S	S	.	.	S	Bend	trans	-96.4	-4.2	-174.7	52.1	0	0	0	0	114.6	S150 L153	S150-T161 PolarHBondContact N-O 2.84Å; L153-T161 HydrophobicContact CD2-CG2 3.84Å
162	I	95.9	Very high	94.3	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.7	-175.3	57.5	156.2	0	0	0	111.8	L77 I83 I114 V147 L148 I154 P159	L77-I162 HydrophobicContact CB-CD1 3.71Å; I83-I162 HydrophobicContact CD1-CG2 3.7Å; I114-I162 HydrophobicContact CD1-CD1 3.8Å; I114-I162 HydrophobicContact CD1-CG1 3.65Å; I114-I162 VanDerWaalsContact CD1-O 3.26Å; I114-I162 WeakPolarHBondContact CD1-O 3.41Å; V147-I162 HydrophobicContact CG1-CB 4.32Å; V147-I162 HydrophobicContact CG1-CD1 3.88Å; L148-I162 CarbonylContact O-C 3.59Å; L148-I162 VanDerWaalsContact O-CA 3.26Å; L148-I162 WeakPolarHBondContact O-CA 3.35Å; L148-I162 WeakPolarHBondContact O-CB 3.24Å; I154-I162 WeakPolarHBondContact CD1-O 3.39Å; P159-I162 HydrophobicContact CB-CG1 4.05Å; P159-I162 HydrophobicContact CG-CD1 3.57Å; P159-I162 HydrophobicContact CG-CG1 3.47Å; P159-I162 VanDerWaalsContact CG-CG1 3.47Å
163	E	96.9	Very high	94.5	Very high	22 Å²	22	46.9 Å²	46.9	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159.3	172.2	57	177.5	-158	0	0	111	Q115 V117 L148 I154 H165	Q115-E163 HydrophobicContact CB-CB 4.27Å; Q115-E163 HydrophobicContact CG-CB 4.36Å; Q115-E163 PolarHBondContact NE2-OE2 2.94Å; Q115-E163 CarbonylContact O-C 3.53Å; Q115-E163 WeakPolarHBondContact O-CA 3.5Å; V117-E163 WeakPolarHBondContact CG2-OE2 3.46Å; L148-E163 PolarHBondContact N-O 2.99Å; L148-E163 PolarHBondContact O-N 2.87Å; I154-E163 HydrophobicContact CD1-CB 4.05Å; E163-H165 IonicContact OE1-CD2 3.83Å; E163-H165 IonicContact OE1-CE1 2.76Å; E163-H165 IonicContact OE1-NE2 2.76Å; E163-H165 PolarHBondContact OE1-NE2 3.38Å
164	I	97.6	Very high	94.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.8	175.9	-57.4	177.9	0	0	0	109	L77 V87 V89 I114 Q115 N116 V117 V143 R146 V147 C166	L77-I164 HydrophobicContact CD1-CD1 4.08Å; V87-I164 HydrophobicContact CG2-CD1 4.48Å; V89-I164 HydrophobicContact CG1-CD1 4.14Å; V89-I164 HydrophobicContact CG2-CD1 3.79Å; I114-I164 HydrophobicContact CG1-CD1 4.07Å; I114-I164 HydrophobicContact CG1-CG1 4Å; I114-I164 HydrophobicContact CG2-CD1 4.32Å; Q115-I164 PolarHBondContact O-N 3.31Å; N116-I164 CarbonylContact C-O 3.44Å; N116-I164 WeakPolarHBondContact CA-O 3.36Å; V117-I164 PolarHBondContact N-O 3.12Å; V143-I164 HydrophobicContact CG1-CG2 4.46Å; R146-I164 WeakPolarHBondContact O-CA 3.49Å; V147-I164 HydrophobicContact CG2-CG1 4.44Å; I164-C166 PolarHBondContact O-N 2.97Å; I164-C166 PolarHBondContact O-SG 2.94Å
165	H	97.1	Very high	94.8	Very high	75 Å²	75	45.4 Å²	45.4	35%	0.347	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	104.5	170.1	-77.5	-139	0	0	0	108	G145 R146 L148 E163	G145-H165 CarbonylContact C-O 3.39Å; G145-H165 WeakPolarHBondContact CA-O 3.38Å; R146-H165 PolarHBondContact N-O 2.92Å; R146-H165 PolarHBondContact O-N 2.99Å; L148-H165 HydrophobicContact CD1-CB 4.27Å; E163-H165 IonicContact OE1-CD2 3.83Å; E163-H165 IonicContact OE1-CE1 2.76Å; E163-H165 IonicContact OE1-NE2 2.76Å; E163-H165 PolarHBondContact OE1-NE2 3.38Å
166	C	97	Very high	95	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	143.4	-166.1	-57.6	0	0	0	0	112.3	F105 N116 V117 L118 V143 I164 V169	F105-C166 HydrophobicContact CZ-CB 4.49Å; N116-C166 VanDerWaalsContact CB-SG 3.56Å; V117-C166 PolarHBondContact O-N 2.89Å; L118-C166 HydrophobicContact CD2-CB 3.55Å; L118-C166 WeakPolarHBondContact CD2-O 3.38Å; L118-C166 HydrophobicContact CG-CB 3.86Å; V143-C166 HydrophobicContact CG1-CB 4.16Å; V143-C166 WeakPolarHBondContact CG1-SG 3.36Å; I164-C166 PolarHBondContact O-N 2.97Å; I164-C166 PolarHBondContact O-SG 2.94Å; C166-V169 HydrophobicContact CB-CG2 4.38Å
167	E	96	Very high	95.3	Very high	85 Å²	85	46.1 Å²	46.1	40%	0.397	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-32.6	173.3	-65.4	177.5	-160.4	0	0	111.2	F144	F144-E167 HydrophobicContact CD1-CB 4.03Å; F144-E167 WeakPolarHBondContact CE1-OE2 3.34Å; F144-E167 PolarHBondContact O-N 2.86Å
168	K	96.9	Very high	95.4	Very high	71 Å²	71	51.3 Å²	51.3	31%	0.309	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143	178.3	-45	-176.1	174.9	-159.5	0	112.4	D53 A54 W88 V143 F144 F170	D53-K168 WeakPolarHBondContact O-CD 3.28Å; D53-K168 PolarHBondContact O-NZ 3.48Å; D53-K168 VanDerWaalsContact O-NZ 3.17Å; A54-K168 HydrophobicContact CB-CG 4.44Å; A54-K168 CarbonylContact O-C 3.58Å; A54-K168 WeakPolarHBondContact O-CA 3.28Å; A54-K168 VanDerWaalsContact O-CB 3.28Å; A54-K168 WeakPolarHBondContact O-CB 3.5Å; W88-K168 HydrophobicContact CH2-CB 4.39Å; W88-K168 HydrophobicContact CH2-CD 4.26Å; W88-K168 HydrophobicContact CZ2-CD 4.26Å; V143-K168 WeakPolarHBondContact CA-O 3.36Å; F144-K168 HydrophobicContact CB-CB 3.88Å; F144-K168 HydrophobicContact CB-CD 4.47Å; F144-K168 HydrophobicContact CB-CG 4.19Å; F144-K168 HydrophobicContact CD1-CD 4.24Å; F144-K168 HydrophobicContact CD1-CG 4.06Å; F144-K168 PolarHBondContact N-O 2.85Å; F144-K168 PolarHBondContact O-N 3.12Å; F144-K168 VanDerWaalsContact O-N 3.1Å; K168-F170 HydrophobicContact CB-CD2 4.37Å; K168-F170 HydrophobicContact CB-CE2 3.65Å; K168-F170 HydrophobicContact CB-CZ 4.38Å; K168-F170 HydrophobicContact CD-CE2 4.16Å; K168-F170 HydrophobicContact CG-CE2 4.49Å
169	V	97.3	Very high	95.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	117.6	178.8	-177.1	0	0	0	0	110.9	A54 Y55 G56 F105 L118 M128 V132 I135 I141 D142 V143 C166	A54-V169 PolarHBondContact O-N 2.91Å; Y55-V169 WeakPolarHBondContact CA-O 3.36Å; Y55-V169 VanDerWaalsContact CB-O 3.27Å; Y55-V169 WeakPolarHBondContact CB-O 3.5Å; G56-V169 PolarHBondContact N-O 2.72Å; F105-V169 HydrophobicContact CE1-CG2 4.49Å; F105-V169 HydrophobicContact CZ-CG2 3.86Å; L118-V169 HydrophobicContact CD1-CG2 4.1Å; M128-V169 HydrophobicContact CE-CB 4.13Å; M128-V169 HydrophobicContact CE-CG2 3.9Å; V132-V169 HydrophobicContact CG2-CB 3.78Å; V132-V169 HydrophobicContact CG2-CG1 3.76Å; V132-V169 HydrophobicContact CG2-CG2 4.07Å; I135-V169 HydrophobicContact CD1-CG1 4.32Å; I141-V169 HydrophobicContact CD1-CG1 4.16Å; D142-V169 CarbonylContact O-C 3.54Å; D142-V169 WeakPolarHBondContact O-CA 3.08Å; V143-V169 HydrophobicContact CG1-CG2 4.46Å; C166-V169 HydrophobicContact CB-CG2 4.38Å
170	F	97.2	Very high	95.9	Very high	19 Å²	19	52 Å²	52	8%	0.083	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.4	-178.9	-58.8	-86.9	0	0	0	112.4	A51 T52 G56 L58 W88 I141 D142 K168	A51-F170 HydrophobicContact CB-CD1 4.25Å; A51-F170 HydrophobicContact CB-CE1 4.18Å; T52-F170 WeakPolarHBondContact O-CE1 3.38Å; G56-F170 CarbonylContact O-C 3.52Å; G56-F170 VanDerWaalsContact O-CA 3.31Å; G56-F170 WeakPolarHBondContact O-CA 3.49Å; L58-F170 HydrophobicContact CD1-CB 4.21Å; L58-F170 HydrophobicContact CD2-CB 3.72Å; L58-F170 HydrophobicContact CD2-CD1 3.75Å; L58-F170 HydrophobicContact CD2-CG 3.8Å; L58-F170 HydrophobicContact CG-CB 3.71Å; L58-F170 HydrophobicContact CG-CG 4.35Å; W88-F170 HydrophobicContact CH2-CD2 4Å; W88-F170 AromaticContact CH2-CE2 3.79Å; W88-F170 HydrophobicContact CH2-CE2 3.79Å; W88-F170 HydrophobicContact CZ3-CD2 4.09Å; W88-F170 HydrophobicContact CZ3-CE2 4.34Å; I141-F170 CarbonylContact C-O 3.5Å; I141-F170 WeakPolarHBondContact CA-O 3.42Å; I141-F170 WeakPolarHBondContact CB-O 3.28Å; D142-F170 HydrophobicContact CB-CB 4.45Å; D142-F170 PolarHBondContact N-O 2.91Å; D142-F170 PolarHBondContact O-N 2.83Å; K168-F170 HydrophobicContact CB-CD2 4.37Å; K168-F170 HydrophobicContact CB-CE2 3.65Å; K168-F170 HydrophobicContact CB-CZ 4.38Å; K168-F170 HydrophobicContact CD-CE2 4.16Å; K168-F170 HydrophobicContact CG-CE2 4.49Å
171	V	97.8	Very high	95.8	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.3	173	179.1	0	0	0	0	109.3	G56 V57 L58 F131 I135 I141 A174	G56-V171 PolarHBondContact O-N 3.02Å; V57-V171 HydrophobicContact CG2-CB 4.3Å; L58-V171 PolarHBondContact N-O 2.79Å; F131-V171 HydrophobicContact CE1-CG2 4.32Å; F131-V171 HydrophobicContact CZ-CG2 3.81Å; I135-V171 HydrophobicContact CD1-CG2 3.62Å; I135-V171 HydrophobicContact CG1-CG2 3.79Å; I135-V171 HydrophobicContact CG2-CG2 4.07Å; I141-V171 HydrophobicContact CG2-CG2 4.12Å; V171-A174 HydrophobicContact CG1-CB 3.99Å
172	V	96.3	Very high	95.7	Very high	37 Å²	37	48.8 Å²	48.8	22%	0.224	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-42.3	174.7	-172.1	0	0	0	0	110.4	L58 I140 D142	L58-V172 HydrophobicContact CD1-CG2 4.07Å; I140-V172 HydrophobicContact CB-CB 4.36Å; I140-V172 HydrophobicContact CG2-CB 4.05Å; I140-V172 HydrophobicContact CG2-CG2 4.27Å; I140-V172 PolarHBondContact O-N 3.22Å; D142-V172 HydrophobicContact CB-CG2 4.29Å; D142-V172 VanDerWaalsContact CG-CG2 3.41Å; D142-V172 WeakPolarHBondContact OD1-CG2 3.44Å; D142-V172 WeakPolarHBondContact OD2-CG2 3.28Å
173	S	97.3	Very high	95.5	Very high	66 Å²	66	48.7 Å²	48.7	46%	0.462	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	111.9	-179.9	-178.8	0	0	0	0	109.3	S139 I140	S139-S173 CarbonylContact C-O 3.48Å; S139-S173 VanDerWaalsContact CA-O 3.29Å; S139-S173 WeakPolarHBondContact CA-O 3.25Å; I140-S173 PolarHBondContact N-O 2.82Å; I140-S173 PolarHBondContact O-N 2.76Å; I140-S173 VanDerWaalsContact O-N 3.16Å
174	A	96.9	Very high	95.2	Very high	72 Å²	72	50 Å²	50	60%	0.595	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-75.5	129.1	178.4	0	0	0	0	0	110.6	V171	V171-A174 HydrophobicContact CG1-CB 3.99Å
175	A	96.8	Very high	94.9	Very high	24 Å²	24	51.9 Å²	51.9	20%	0.198	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-82.5	161.3	169.5	0	0	0	0	0	110.8	S136 K137 E138 S139	S136-A175 PolarHBondContact OG-O 2.88Å; K137-A175 VanDerWaalsContact O-CB 3.25Å; K137-A175 WeakPolarHBondContact O-CB 3.29Å; E138-A175 HydrophobicContact CB-CB 4.1Å; S139-A175 PolarHBondContact OG-N 3.13Å
176	L	95.1	Very high	94.7	Very high	129 Å²	129	48.3 Å²	48.3	68%	0.675	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-63	141.2	170.3	-64.6	176	0	0	0	110	T178	L176-T178 PolarHBondContact O-N 2.86Å
177	P	92.6	Very high	94.4	Very high	114 Å²	114	50.2 Å²	50.2	74%	0.74	29%	0.292	S	S	*	.	S	Bend	trans	-58.2	-35.9	176.7	-26	34.7	0	0	0	113.4
178	T	93.1	Very high	94	Very high	121 Å²	121	48 Å²	48	74%	0.742	28%	0.279	S	S	*	.	S	Bend	trans	-108.9	114.5	176.7	-51.4	0	0	0	0	109.2	L176	L176-T178 PolarHBondContact O-N 2.86Å
179	L	94.2	Very high	93.5	Very high	25 Å²	25	46.3 Å²	46.3	13%	0.131	28%	0.276	C	S	.	.			trans	-96	147.9	173.7	-60.8	172.9	0	0	0	109.7	E138 L181 I210	E138-L179 HydrophobicContact CB-CD1 3.8Å; E138-L179 HydrophobicContact CG-CD1 3.36Å; L179-L181 WeakPolarHBondContact CB-O 3.05Å; L179-L181 PolarHBondContact O-N 2.89Å; L179-I210 HydrophobicContact CB-CD1 4.33Å; L179-I210 HydrophobicContact CD2-CD1 4.35Å
180	P	93.8	Very high	92.6	Very high	84 Å²	84	49.7 Å²	49.7	55%	0.545	29%	0.294	S	S	.	.	S	Bend	trans	-68.1	-16.3	178.6	30.3	-37.2	0	0	0	113	N207 I210	P180-N207 WeakPolarHBondContact CB-OD1 3.42Å; P180-N207 HydrophobicContact CG-CB 4.28Å; P180-N207 WeakPolarHBondContact CG-OD1 3.35Å; P180-I210 HydrophobicContact CG-CD1 3.71Å
181	L	92.3	Very high	91.6	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.037	32%	0.32	C	S	.	.	S	Bend	trans	-144	136.6	178.5	176.9	61.8	0	0	0	109.5	L179 A186 V199 N207 I210 D211	L179-L181 WeakPolarHBondContact CB-O 3.05Å; L179-L181 PolarHBondContact O-N 2.89Å; L181-A186 HydrophobicContact CD1-CB 4.28Å; L181-A186 HydrophobicContact CD2-CB 4.11Å; L181-A186 HydrophobicContact CG-CB 4.34Å; L181-V199 HydrophobicContact CD1-CB 3.78Å; L181-V199 HydrophobicContact CD1-CG1 3.34Å; L181-V199 HydrophobicContact CD1-CG2 3.21Å; L181-N207 HydrophobicContact CB-CB 4.38Å; L181-I210 HydrophobicContact CB-CG2 4.16Å; L181-I210 HydrophobicContact CD2-CG2 4.29Å; L181-I210 HydrophobicContact CG-CG2 4.34Å; L181-D211 HydrophobicContact CD2-CB 4.02Å
182	Q	91.9	Very high	90.6	Very high	56 Å²	56	55.7 Å²	55.7	26%	0.262	33%	0.327	S	S	.	.			trans	-90.8	135.8	168.3	-59.4	-62	-62.2	0	0	109.8	E184 D185 A186	Q182-E184 VanDerWaalsContact C-N 3.28Å; Q182-E184 PolarHBondContact O-N 2.97Å; Q182-D185 HydrophobicContact CB-CB 4.34Å; Q182-D185 PolarHBondContact O-N 3.14Å; Q182-A186 PolarHBondContact O-N 3.37Å
183	I	92.4	Very high	89.5	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-40.4	179	-66	-63.6	0	0	0	110.6	R108 E138 D185 A186 M187 I210 R213 T214	R108-I183 VanDerWaalsContact NH1-CG2 3.26Å; E138-I183 HydrophobicContact CG-CG1 4.48Å; I183-D185 VanDerWaalsContact C-N 3.28Å; I183-D185 PolarHBondContact O-N 3.04Å; I183-A186 PolarHBondContact O-N 3.25Å; I183-A186 VanDerWaalsContact O-N 3.15Å; I183-M187 HydrophobicContact CG2-CG 4.17Å; I183-M187 HydrophobicContact CG2-SD 3.77Å; I183-M187 VanDerWaalsContact O-CG 3.24Å; I183-M187 WeakPolarHBondContact O-CG 3.48Å; I183-M187 PolarHBondContact O-N 3.27Å; I183-I210 HydrophobicContact CD1-CG2 3.65Å; I183-I210 VanDerWaalsContact CD1-O 3.25Å; I183-I210 WeakPolarHBondContact CD1-O 3.46Å; I183-I210 HydrophobicContact CG1-CG2 4.42Å; I183-R213 HydrophobicContact CD1-CB 3.93Å; I183-T214 HydrophobicContact CD1-CG2 4.47Å; I183-T214 HydrophobicContact CG2-CG2 4.42Å
184	E	89.6	Confident	88.4	Confident	50 Å²	50	63.3 Å²	63.3	23%	0.234	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-36.8	-178.3	-60.4	93.5	143.6	0	0	111.9	K137 Q182 M187 R188	K137-E184 IonicContact NZ-OE1 3.54Å; K137-E184 PolarHBondContact NZ-OE1 3.35Å; K137-E184 IonicContact NZ-OE2 3.99Å; Q182-E184 VanDerWaalsContact C-N 3.28Å; Q182-E184 PolarHBondContact O-N 2.97Å; E184-M187 PolarHBondContact O-N 3.17Å; E184-R188 WeakPolarHBondContact O-CG 3.37Å
185	D	91.6	Very high	87.2	Confident	39 Å²	39	67.2 Å²	67.2	21%	0.209	37%	0.374	C	S	.	.	H	α-helix	trans	-73.2	-35.5	176.6	-58.9	-16.7	0	0	0	111.2	Q182 I183 M187 R188 V199	Q182-D185 HydrophobicContact CB-CB 4.34Å; Q182-D185 PolarHBondContact O-N 3.14Å; I183-D185 VanDerWaalsContact C-N 3.28Å; I183-D185 PolarHBondContact O-N 3.04Å; D185-M187 VanDerWaalsContact C-N 3.27Å; D185-M187 PolarHBondContact O-N 3.27Å; D185-R188 IonicContact OD1-CZ 3.31Å; D185-R188 VanDerWaalsContact OD1-CZ 3.31Å; D185-R188 IonicContact OD1-NE 2.9Å; D185-R188 IonicContact OD1-NH1 3.83Å; D185-R188 IonicContact OD1-NH2 2.63Å; D185-R188 PolarHBondContact OD1-NH2 3Å; D185-V199 HydrophobicContact CB-CG2 3.62Å
186	A	92.3	Very high	86.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-71.8	-20.8	177.2	0	0	0	0	0	113.1	L181 Q182 I183 R204 T214 Q356	L181-A186 HydrophobicContact CD1-CB 4.28Å; L181-A186 HydrophobicContact CD2-CB 4.11Å; L181-A186 HydrophobicContact CG-CB 4.34Å; Q182-A186 PolarHBondContact O-N 3.37Å; I183-A186 PolarHBondContact O-N 3.25Å; I183-A186 VanDerWaalsContact O-N 3.15Å; A186-R204 VanDerWaalsContact O-CZ 3.23Å; A186-R204 PolarHBondContact O-NH1 2.67Å; A186-R204 PolarHBondContact O-NH2 3.21Å; A186-T214 HydrophobicContact CB-CG2 3.72Å; A186-Q356 PolarHBondContact O-NE2 2.83Å
187	M	90.2	Very high	85.6	Confident	49 Å²	49	68.6 Å²	68.6	24%	0.241	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.6	179.9	-76.4	178.6	58.9	0	0	115	R113 I183 E184 D185 T214 P215	R113-M187 PolarHBondContact NH2-SD 3.32Å; I183-M187 HydrophobicContact CG2-CG 4.17Å; I183-M187 HydrophobicContact CG2-SD 3.77Å; I183-M187 VanDerWaalsContact O-CG 3.24Å; I183-M187 WeakPolarHBondContact O-CG 3.48Å; I183-M187 PolarHBondContact O-N 3.27Å; E184-M187 PolarHBondContact O-N 3.17Å; D185-M187 VanDerWaalsContact C-N 3.27Å; D185-M187 PolarHBondContact O-N 3.27Å; M187-T214 HydrophobicContact CG-CG2 3.96Å; M187-P215 HydrophobicContact CE-CG 4.12Å; M187-P215 HydrophobicContact SD-CG 4.36Å
188	R	88.6	Confident	85.1	Confident	37 Å²	37	69.5 Å²	69.5	14%	0.14	37%	0.374	C	S	.	.	S	Bend	trans	-65.4	136.3	-175.4	-65.5	-174.2	-162.2	152.2	3.1	110.6	E184 D185 L196 S197 R198 Q356	E184-R188 WeakPolarHBondContact O-CG 3.37Å; D185-R188 IonicContact OD1-CZ 3.31Å; D185-R188 VanDerWaalsContact OD1-CZ 3.31Å; D185-R188 IonicContact OD1-NE 2.9Å; D185-R188 IonicContact OD1-NH1 3.83Å; D185-R188 IonicContact OD1-NH2 2.63Å; D185-R188 PolarHBondContact OD1-NH2 3Å; R188-L196 PolarHBondContact NH1-O 3.3Å; R188-S197 PolarHBondContact NH1-O 3.28Å; R188-R198 HydrophobicContact CB-CG 4.42Å; R188-Q356 PolarHBondContact O-NE2 3.49Å
189	P	86.4	Confident	84.8	Confident	36 Å²	36	64.8 Å²	64.8	23%	0.234	35%	0.345	C	S	.	.			trans	-55.7	152.3	173.4	-25.1	34.8	0	0	0	112.9	D191 D192	P189-D191 WeakPolarHBondContact CB-OD1 3.35Å; P189-D191 PolarHBondContact O-N 2.86Å; P189-D192 HydrophobicContact CB-CB 4.36Å; P189-D192 VanDerWaalsContact O-CB 3.31Å; P189-D192 WeakPolarHBondContact O-CB 3.49Å; P189-D192 PolarHBondContact O-N 3.09Å
190	D	77.3	Confident	84.7	Confident	71 Å²	71	68.1 Å²	68.1	38%	0.38	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.7	178.6	-77.3	-16	0	0	0	112.3	R198 Q356 Y357 K513	D190-R198 PolarHBondContact O-NH1 3.23Å; D190-Q356 PolarHBondContact N-O 2.82Å; D190-Y357 VanDerWaalsContact OD2-CD1 3.27Å; D190-Y357 WeakPolarHBondContact OD2-CD1 3.46Å; D190-Y357 WeakPolarHBondContact OD2-CE1 3.45Å; D190-K513 IonicContact OD2-NZ 3.42Å; D190-K513 PolarHBondContact OD2-NZ 2.79Å
191	D	77.2	Confident	84.6	Confident	117 Å²	117	66.7 Å²	66.7	63%	0.626	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	8	175.9	63.2	-17.7	0	0	0	113.5	P189 E193	P189-D191 WeakPolarHBondContact CB-OD1 3.35Å; P189-D191 PolarHBondContact O-N 2.86Å; D191-E193 PolarHBondContact O-N 2.8Å
192	D	75.4	Confident	84.7	Confident	34 Å²	34	70.8 Å²	70.8	18%	0.182	37%	0.371	C	S	.	.			trans	-62.8	110.9	177.9	-169.3	-8.3	0	0	0	110.8	P189 T194 R198	P189-D192 HydrophobicContact CB-CB 4.36Å; P189-D192 VanDerWaalsContact O-CB 3.31Å; P189-D192 WeakPolarHBondContact O-CB 3.49Å; P189-D192 PolarHBondContact O-N 3.09Å; D192-T194 PolarHBondContact O-N 2.85Å; D192-T194 VanDerWaalsContact OD1-CB 3.27Å; D192-T194 WeakPolarHBondContact OD1-CB 3.25Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.34Å; D192-T194 PolarHBondContact OD1-N 3.12Å; D192-T194 PolarHBondContact OD1-OG1 2.73Å; D192-T194 PolarHBondContact OD2-OG1 3.41Å; D192-T194 VanDerWaalsContact OD2-OG1 3.08Å; D192-R198 PolarHBondContact O-NH2 3.05Å; D192-R198 VanDerWaalsContact O-NH2 3.12Å
193	E	73.9	Confident	84.8	Confident	194 Å²	194	70.4 Å²	70.4	91%	0.907	37%	0.372	S	S	*	.			trans	-77.3	-2.5	179.4	-62.8	-166.2	159.1	0	0	113.1	D191	D191-E193 PolarHBondContact O-N 2.8Å
194	T	74	Confident	85	Confident	68 Å²	68	71.1 Å²	71.1	42%	0.417	38%	0.375	S	S	.	.	S	Bend	trans	-67.9	149.6	177.2	60.9	0	0	0	0	111.5	D192 L196	D192-T194 PolarHBondContact O-N 2.85Å; D192-T194 VanDerWaalsContact OD1-CB 3.27Å; D192-T194 WeakPolarHBondContact OD1-CB 3.25Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.34Å; D192-T194 PolarHBondContact OD1-N 3.12Å; D192-T194 PolarHBondContact OD1-OG1 2.73Å; D192-T194 PolarHBondContact OD2-OG1 3.41Å; D192-T194 VanDerWaalsContact OD2-OG1 3.08Å; T194-L196 PolarHBondContact O-N 2.81Å; T194-L196 WeakPolarHBondContact OG1-CB 3.4Å
195	T	71.8	Confident	85.4	Confident	154 Å²	154	69 Å²	69	95%	0.945	37%	0.365	S	S	*	.	S	Bend	trans	-73.1	22.6	179.2	61.5	0	0	0	0	113.5
196	L	78	Confident	85.6	Confident	93 Å²	93	71.6 Å²	71.6	49%	0.487	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-101.2	129.9	-159.5	-105.9	-165.8	0	0	0	107	R188 T194 R198	R188-L196 PolarHBondContact NH1-O 3.3Å; T194-L196 PolarHBondContact O-N 2.81Å; T194-L196 WeakPolarHBondContact OG1-CB 3.4Å; L196-R198 PolarHBondContact O-N 2.89Å
197	S	80.4	Confident	85.8	Confident	90 Å²	90	73.7 Å²	73.7	63%	0.629	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-52.4	124.3	-174.4	-55.9	0	0	0	0	114.3	R188	R188-S197 PolarHBondContact NH1-O 3.28Å
198	R	81.6	Confident	86.2	Confident	133 Å²	133	71.7 Å²	71.7	50%	0.502	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-96.4	155.8	168.5	-74	-179	-95.3	174.1	-21.1	110.7	R188 D190 D192 L196	R188-R198 HydrophobicContact CB-CG 4.42Å; D190-R198 PolarHBondContact O-NH1 3.23Å; D192-R198 PolarHBondContact O-NH2 3.05Å; D192-R198 VanDerWaalsContact O-NH2 3.12Å; L196-R198 PolarHBondContact O-N 2.89Å
199	V	88.8	Confident	86.5	Confident	22 Å²	22	73.9 Å²	73.9	13%	0.133	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-101.6	118.6	-178.4	-173.8	0	0	0	0	108	L181 D185 T203 R204	L181-V199 HydrophobicContact CD1-CB 3.78Å; L181-V199 HydrophobicContact CD1-CG1 3.34Å; L181-V199 HydrophobicContact CD1-CG2 3.21Å; D185-V199 HydrophobicContact CB-CG2 3.62Å; V199-T203 HydrophobicContact CG1-CG2 3.87Å; V199-R204 HydrophobicContact CB-CG 4.12Å; V199-R204 HydrophobicContact CG1-CG 3.61Å; V199-R204 PolarHBondContact O-NE 3.21Å
200	N	91.5	Very high	87	Confident	94 Å²	94	73 Å²	73	50%	0.503	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-64.4	158.4	177.6	69.2	61.8	0	0	0	111.4	D202 T203 R204	N200-D202 PolarHBondContact O-N 2.73Å; N200-D202 PolarHBondContact OD1-N 3.2Å; N200-T203 PolarHBondContact ND2-OG1 3.13Å; N200-T203 VanDerWaalsContact ND2-OG1 3.1Å; N200-T203 PolarHBondContact O-N 2.8Å; N200-T203 WeakPolarHBondContact OD1-CB 3.29Å; N200-T203 PolarHBondContact OD1-N 2.84Å; N200-T203 PolarHBondContact OD1-OG1 2.96Å; N200-R204 WeakPolarHBondContact O-CG 3.46Å; N200-R204 PolarHBondContact O-N 3.07Å; N200-R204 VanDerWaalsContact O-N 3.16Å
201	Q	91.8	Very high	87.9	Confident	55 Å²	55	69.7 Å²	69.7	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-43.8	-173.8	-172.5	169.9	18.2	0	0	113.3	T203 R204 L205 N510	Q201-T203 PolarHBondContact O-N 2.99Å; Q201-R204 WeakPolarHBondContact O-CB 3.37Å; Q201-R204 PolarHBondContact O-N 2.65Å; Q201-L205 HydrophobicContact CG-CD1 4.15Å; Q201-L205 HydrophobicContact CG-CG 4.38Å; Q201-L205 WeakPolarHBondContact O-CG 3.41Å; Q201-L205 PolarHBondContact O-N 3.13Å; Q201-N510 VanDerWaalsContact NE2-CG 3.29Å; Q201-N510 PolarHBondContact NE2-OD1 2.96Å; Q201-N510 PolarHBondContact OE1-ND2 2.83Å
202	D	93.7	Very high	88.9	Confident	93 Å²	93	65.1 Å²	65.1	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-41.3	-179.3	-76.7	-46.7	0	0	0	112.3	N200 R204 L205 D206 R523	N200-D202 PolarHBondContact O-N 2.73Å; N200-D202 PolarHBondContact OD1-N 3.2Å; D202-R204 VanDerWaalsContact C-N 3.29Å; D202-R204 PolarHBondContact O-N 2.77Å; D202-L205 PolarHBondContact O-N 3.17Å; D202-L205 VanDerWaalsContact O-N 3.14Å; D202-D206 WeakPolarHBondContact O-CB 3.47Å; D202-D206 PolarHBondContact O-N 3.06Å; D202-R523 IonicContact OD1-CZ 2.82Å; D202-R523 IonicContact OD1-NH2 2.81Å; D202-R523 PolarHBondContact OD1-NH2 3.4Å
203	T	95	Very high	89.9	Confident	47 Å²	47	66 Å²	66	29%	0.288	35%	0.352	S	S	.	.	H	α-helix	trans	-64.1	-35.2	176.4	-58.7	0	0	0	0	111.8	V199 N200 Q201 N207	V199-T203 HydrophobicContact CG1-CG2 3.87Å; N200-T203 PolarHBondContact ND2-OG1 3.13Å; N200-T203 VanDerWaalsContact ND2-OG1 3.1Å; N200-T203 PolarHBondContact O-N 2.8Å; N200-T203 WeakPolarHBondContact OD1-CB 3.29Å; N200-T203 PolarHBondContact OD1-N 2.84Å; N200-T203 PolarHBondContact OD1-OG1 2.96Å; Q201-T203 PolarHBondContact O-N 2.99Å; T203-N207 PolarHBondContact O-N 3.16Å; T203-N207 PolarHBondContact O-ND2 3.46Å
204	R	96.3	Very high	90.9	Very high	18 Å²	18	56.8 Å²	56.8	7%	0.068	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-45.1	172.6	-67.7	170.2	-179.9	-101.9	8.9	111.3	A186 V199 N200 Q201 D202 N207 R208 D211	A186-R204 VanDerWaalsContact O-CZ 3.23Å; A186-R204 PolarHBondContact O-NH1 2.67Å; A186-R204 PolarHBondContact O-NH2 3.21Å; V199-R204 HydrophobicContact CB-CG 4.12Å; V199-R204 HydrophobicContact CG1-CG 3.61Å; V199-R204 PolarHBondContact O-NE 3.21Å; N200-R204 WeakPolarHBondContact O-CG 3.46Å; N200-R204 PolarHBondContact O-N 3.07Å; N200-R204 VanDerWaalsContact O-N 3.16Å; Q201-R204 WeakPolarHBondContact O-CB 3.37Å; Q201-R204 PolarHBondContact O-N 2.65Å; D202-R204 VanDerWaalsContact C-N 3.29Å; D202-R204 PolarHBondContact O-N 2.77Å; R204-N207 CarbonylContact O-C 3.54Å; R204-N207 PolarHBondContact O-N 3.47Å; R204-R208 VanDerWaalsContact O-CA 3.28Å; R204-R208 WeakPolarHBondContact O-CA 3.18Å; R204-R208 PolarHBondContact O-N 3.18Å; R204-D211 HydrophobicContact CB-CB 4.18Å; R204-D211 IonicContact NH1-OD1 3.38Å; R204-D211 PolarHBondContact NH1-OD1 3.27Å; R204-D211 VanDerWaalsContact NH1-OD1 3.12Å
205	L	97	Very high	91.8	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-70.5	-36.4	-179.4	-65	179.6	0	0	0	112.6	Q201 D202 N207 R208 R512 P518 R523 P526	Q201-L205 HydrophobicContact CG-CD1 4.15Å; Q201-L205 HydrophobicContact CG-CG 4.38Å; Q201-L205 WeakPolarHBondContact O-CG 3.41Å; Q201-L205 PolarHBondContact O-N 3.13Å; D202-L205 PolarHBondContact O-N 3.17Å; D202-L205 VanDerWaalsContact O-N 3.14Å; L205-N207 PolarHBondContact O-N 2.97Å; L205-R208 WeakPolarHBondContact O-CB 3.45Å; L205-R208 PolarHBondContact O-N 3.06Å; L205-R512 HydrophobicContact CD1-CB 4.03Å; L205-R512 HydrophobicContact CD1-CG 4.4Å; L205-P518 HydrophobicContact CD1-CG 4.3Å; L205-P518 HydrophobicContact CD2-CG 3.78Å; L205-R523 VanDerWaalsContact CB-CZ 3.41Å; L205-P526 VanDerWaalsContact O-CD 3.25Å; L205-P526 WeakPolarHBondContact O-CD 3.28Å; L205-P526 WeakPolarHBondContact O-CG 3.47Å
206	D	97	Very high	92.9	Very high	94 Å²	94	47.2 Å²	47.2	50%	0.503	25%	0.25	S	S	.	.	H	α-helix	trans	-64.1	-27.6	173.9	-65.2	-12	0	0	0	111.4	D202 R523	D202-D206 WeakPolarHBondContact O-CB 3.47Å; D202-D206 PolarHBondContact O-N 3.06Å; D206-R523 IonicContact OD1-CZ 2.62Å; D206-R523 IonicContact OD1-NH1 3.12Å; D206-R523 PolarHBondContact OD1-NH1 3.26Å; D206-R523 IonicContact OD1-NH2 3.42Å; D206-R523 PolarHBondContact OD1-NH2 3.01Å; D206-R523 VanDerWaalsContact OD1-NH2 3.12Å
207	N	96.8	Very high	93.9	Very high	44 Å²	44	43.1 Å²	43.1	24%	0.235	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	34.3	179.2	-61.5	-75.3	0	0	0	112.4	P180 L181 T203 R204 L205 C209 I210 D211	P180-N207 WeakPolarHBondContact CB-OD1 3.42Å; P180-N207 HydrophobicContact CG-CB 4.28Å; P180-N207 WeakPolarHBondContact CG-OD1 3.35Å; L181-N207 HydrophobicContact CB-CB 4.38Å; T203-N207 PolarHBondContact O-N 3.16Å; T203-N207 PolarHBondContact O-ND2 3.46Å; R204-N207 CarbonylContact O-C 3.54Å; R204-N207 PolarHBondContact O-N 3.47Å; L205-N207 PolarHBondContact O-N 2.97Å; N207-C209 PolarHBondContact O-N 3.09Å; N207-I210 PolarHBondContact O-N 2.93Å; N207-D211 PolarHBondContact O-N 3.3Å
208	R	97.5	Very high	94.6	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-52.7	-36.9	-166.8	-164.8	52.9	163.4	171.1	-7.2	114.4	R204 L205 I210 D211 L212 N217 Y221 R512 S515 M516 F517 P526	R204-R208 VanDerWaalsContact O-CA 3.28Å; R204-R208 WeakPolarHBondContact O-CA 3.18Å; R204-R208 PolarHBondContact O-N 3.18Å; L205-R208 WeakPolarHBondContact O-CB 3.45Å; L205-R208 PolarHBondContact O-N 3.06Å; R208-I210 PolarHBondContact O-N 3.24Å; R208-D211 IonicContact CZ-OD2 3.09Å; R208-D211 IonicContact NH1-OD2 2.77Å; R208-D211 PolarHBondContact NH1-OD2 2.82Å; R208-D211 PolarHBondContact O-N 3.03Å; R208-L212 HydrophobicContact CG-CD1 3.93Å; R208-L212 HydrophobicContact CG-CG 4.03Å; R208-L212 WeakPolarHBondContact O-CB 3.16Å; R208-L212 WeakPolarHBondContact O-CG 3.34Å; R208-L212 PolarHBondContact O-N 3.48Å; R208-N217 PolarHBondContact NH1-OD1 2.87Å; R208-Y221 PolarHBondContact NH2-OH 2.9Å; R208-R512 PolarHBondContact NH2-O 3.26Å; R208-R512 VanDerWaalsContact NH2-O 3.17Å; R208-S515 PolarHBondContact NH2-O 2.94Å; R208-M516 WeakPolarHBondContact CG-O 3.37Å; R208-M516 PolarHBondContact NE-O 3.12Å; R208-F517 HydrophobicContact CB-CD1 4.37Å; R208-F517 HydrophobicContact CB-CE1 4.2Å; R208-F517 HydrophobicContact CG-CD1 4.06Å; R208-F517 HydrophobicContact CG-CE1 4.02Å; R208-P526 HydrophobicContact CB-CG 3.96Å
209	C	95.9	Very high	95.4	Very high	84 Å²	84	35 Å²	35	57%	0.568	19%	0.187	S	C	*	.	H	α-helix	trans	-60.1	-30.3	178.2	-174.8	0	0	0	0	113.6	N207 R213	N207-C209 PolarHBondContact O-N 3.09Å; C209-R213 WeakPolarHBondContact O-CG 3.41Å; C209-R213 PolarHBondContact O-NE 2.93Å
210	I	95.9	Very high	95.8	Very high	17 Å²	17	34 Å²	34	9%	0.087	18%	0.181	C	C	.	.	H	α-helix	trans	-83.8	-46	175.1	-63.7	176.4	0	0	0	109.9	L179 P180 L181 I183 N207 R208 L212 R213	L179-I210 HydrophobicContact CB-CD1 4.33Å; L179-I210 HydrophobicContact CD2-CD1 4.35Å; P180-I210 HydrophobicContact CG-CD1 3.71Å; L181-I210 HydrophobicContact CB-CG2 4.16Å; L181-I210 HydrophobicContact CD2-CG2 4.29Å; L181-I210 HydrophobicContact CG-CG2 4.34Å; I183-I210 HydrophobicContact CD1-CG2 3.65Å; I183-I210 VanDerWaalsContact CD1-O 3.25Å; I183-I210 WeakPolarHBondContact CD1-O 3.46Å; I183-I210 HydrophobicContact CG1-CG2 4.42Å; N207-I210 PolarHBondContact O-N 2.93Å; R208-I210 PolarHBondContact O-N 3.24Å; I210-L212 VanDerWaalsContact C-N 3.29Å; I210-L212 PolarHBondContact O-N 2.68Å; I210-R213 VanDerWaalsContact O-CB 3.28Å; I210-R213 WeakPolarHBondContact O-CB 3.45Å; I210-R213 WeakPolarHBondContact O-CG 3.47Å; I210-R213 PolarHBondContact O-N 2.87Å
211	D	96.9	Very high	96.1	Very high	2 Å²	2	31 Å²	31	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-57.5	-40.4	179.6	-180	65.7	0	0	0	112.3	L181 R204 N207 R208 R213 T214 N217	L181-D211 HydrophobicContact CD2-CB 4.02Å; R204-D211 HydrophobicContact CB-CB 4.18Å; R204-D211 IonicContact NH1-OD1 3.38Å; R204-D211 PolarHBondContact NH1-OD1 3.27Å; R204-D211 VanDerWaalsContact NH1-OD1 3.12Å; N207-D211 PolarHBondContact O-N 3.3Å; R208-D211 IonicContact CZ-OD2 3.09Å; R208-D211 IonicContact NH1-OD2 2.77Å; R208-D211 PolarHBondContact NH1-OD2 2.82Å; R208-D211 PolarHBondContact O-N 3.03Å; D211-R213 PolarHBondContact O-N 2.98Å; D211-T214 WeakPolarHBondContact O-CB 3.21Å; D211-T214 WeakPolarHBondContact O-CG2 3.36Å; D211-T214 PolarHBondContact O-N 3.26Å; D211-T214 PolarHBondContact O-OG1 2.77Å; D211-N217 VanDerWaalsContact CG-ND2 3.33Å; D211-N217 PolarHBondContact O-ND2 2.79Å; D211-N217 VanDerWaalsContact O-ND2 3.09Å; D211-N217 PolarHBondContact OD1-ND2 2.78Å; D211-N217 PolarHBondContact OD2-ND2 3.17Å
212	L	97.4	Very high	96.4	Very high	21 Å²	21	31.5 Å²	31.5	11%	0.11	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.6	176.4	-74.2	171.7	0	0	0	114.1	R208 I210 T214 N217 Q218 Y221 M516 F517	R208-L212 HydrophobicContact CG-CD1 3.93Å; R208-L212 HydrophobicContact CG-CG 4.03Å; R208-L212 WeakPolarHBondContact O-CB 3.16Å; R208-L212 WeakPolarHBondContact O-CG 3.34Å; R208-L212 PolarHBondContact O-N 3.48Å; I210-L212 VanDerWaalsContact C-N 3.29Å; I210-L212 PolarHBondContact O-N 2.68Å; L212-T214 VanDerWaalsContact C-N 3.33Å; L212-N217 HydrophobicContact CD2-CB 4.26Å; L212-Q218 PolarHBondContact O-NE2 2.81Å; L212-Y221 HydrophobicContact CD2-CD2 3.76Å; L212-Y221 HydrophobicContact CD2-CE2 3.17Å; L212-M516 HydrophobicContact CD1-CG 3.72Å; L212-M516 HydrophobicContact CD1-SD 4.31Å; L212-M516 HydrophobicContact CD2-CG 4.16Å; L212-F517 HydrophobicContact CD1-CE1 4.49Å; L212-F517 HydrophobicContact CD1-CZ 4.21Å
213	R	96.5	Very high	96.6	Very high	53 Å²	53	27.1 Å²	27.1	20%	0.2	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.3	177.2	-53.5	174.2	-172	179.7	1.3	112.9	R108 E138 I183 C209 I210 D211	R108-R213 PolarHBondContact NH1-O 3.11Å; E138-R213 WeakPolarHBondContact OE2-CD 3.4Å; E138-R213 IonicContact OE2-CZ 3.82Å; E138-R213 IonicContact OE2-NE 3.85Å; E138-R213 IonicContact OE2-NH1 3.76Å; E138-R213 PolarHBondContact OE2-NH1 3.16Å; I183-R213 HydrophobicContact CD1-CB 3.93Å; C209-R213 WeakPolarHBondContact O-CG 3.41Å; C209-R213 PolarHBondContact O-NE 2.93Å; I210-R213 VanDerWaalsContact O-CB 3.28Å; I210-R213 WeakPolarHBondContact O-CB 3.45Å; I210-R213 WeakPolarHBondContact O-CG 3.47Å; I210-R213 PolarHBondContact O-N 2.87Å; D211-R213 PolarHBondContact O-N 2.98Å
214	T	95.1	Very high	96.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-63.5	143.8	174.5	53.8	0	0	0	0	110	I183 A186 M187 D211 L212 V216 N217 Q218	I183-T214 HydrophobicContact CD1-CG2 4.47Å; I183-T214 HydrophobicContact CG2-CG2 4.42Å; A186-T214 HydrophobicContact CB-CG2 3.72Å; M187-T214 HydrophobicContact CG-CG2 3.96Å; D211-T214 WeakPolarHBondContact O-CB 3.21Å; D211-T214 WeakPolarHBondContact O-CG2 3.36Å; D211-T214 PolarHBondContact O-N 3.26Å; D211-T214 PolarHBondContact O-OG1 2.77Å; L212-T214 VanDerWaalsContact C-N 3.33Å; T214-V216 PolarHBondContact O-N 2.73Å; T214-N217 PolarHBondContact O-N 2.84Å; T214-N217 WeakPolarHBondContact OG1-CB 3.4Å; T214-N217 PolarHBondContact OG1-ND2 2.89Å; T214-Q218 WeakPolarHBondContact O-CG 3.33Å; T214-Q218 PolarHBondContact O-N 2.8Å
215	P	93.8	Very high	96.9	Very high	14 Å²	14	27.9 Å²	27.9	9%	0.091	15%	0.15	C	C	.	.	H	α-helix	trans	-54.9	-37.1	179.1	-26.3	34.7	0	0	0	113	D111 M187 Q218 A219 I352	D111-P215 HydrophobicContact CB-CB 4.09Å; M187-P215 HydrophobicContact CE-CG 4.12Å; M187-P215 HydrophobicContact SD-CG 4.36Å; P215-Q218 WeakPolarHBondContact O-CB 3.4Å; P215-Q218 PolarHBondContact O-N 3.06Å; P215-A219 WeakPolarHBondContact O-CB 3.34Å; P215-A219 PolarHBondContact O-N 3.49Å; P215-I352 HydrophobicContact CB-CG2 3.9Å
216	V	95.2	Very high	97	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-66.4	-45.4	179.7	170.7	0	0	0	0	112.5	T214 Q218 A219 I220 I352 I353 Q356 Y357	T214-V216 PolarHBondContact O-N 2.73Å; V216-Q218 VanDerWaalsContact C-N 3.34Å; V216-Q218 PolarHBondContact O-N 2.98Å; V216-A219 PolarHBondContact O-N 2.77Å; V216-I220 HydrophobicContact CG1-CD1 3.91Å; V216-I220 HydrophobicContact CG1-CG1 4.46Å; V216-I220 VanDerWaalsContact O-CG1 3.28Å; V216-I220 WeakPolarHBondContact O-CG1 3.38Å; V216-I220 PolarHBondContact O-N 3.01Å; V216-I352 HydrophobicContact CG2-CG2 4.03Å; V216-I352 WeakPolarHBondContact CG2-O 3.48Å; V216-I353 HydrophobicContact CG1-CG1 4.29Å; V216-Q356 HydrophobicContact CG2-CB 3.66Å; V216-Q356 HydrophobicContact CG2-CG 4.42Å; V216-Y357 HydrophobicContact CG1-CD2 3.76Å; V216-Y357 HydrophobicContact CG1-CE2 3.43Å; V216-Y357 VanDerWaalsContact CG1-CE2 3.43Å
217	N	97	Very high	97.1	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.032	13%	0.125	C	C	.	.	H	α-helix	trans	-64.3	-40.5	173.4	-83.5	-68.4	0	0	0	111.2	R208 D211 L212 T214 A219 I220 Y221	R208-N217 PolarHBondContact NH1-OD1 2.87Å; D211-N217 VanDerWaalsContact CG-ND2 3.33Å; D211-N217 PolarHBondContact O-ND2 2.79Å; D211-N217 VanDerWaalsContact O-ND2 3.09Å; D211-N217 PolarHBondContact OD1-ND2 2.78Å; D211-N217 PolarHBondContact OD2-ND2 3.17Å; L212-N217 HydrophobicContact CD2-CB 4.26Å; T214-N217 PolarHBondContact O-N 2.84Å; T214-N217 WeakPolarHBondContact OG1-CB 3.4Å; T214-N217 PolarHBondContact OG1-ND2 2.89Å; N217-A219 VanDerWaalsContact C-N 3.26Å; N217-A219 PolarHBondContact O-N 3.01Å; N217-I220 PolarHBondContact O-N 3.19Å; N217-Y221 HydrophobicContact CB-CE2 4.46Å; N217-Y221 WeakPolarHBondContact O-CD2 3.48Å; N217-Y221 PolarHBondContact O-N 3.48Å; N217-Y221 VanDerWaalsContact O-N 3.16Å
218	Q	96.7	Very high	97.1	Very high	50 Å²	50	22.8 Å²	22.8	23%	0.234	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-40.9	174.7	-69.2	-69.5	-61.5	0	0	111.8	Q110 L212 T214 P215 V216 R222	Q110-Q218 HydrophobicContact CB-CG 4.43Å; L212-Q218 PolarHBondContact O-NE2 2.81Å; T214-Q218 WeakPolarHBondContact O-CG 3.33Å; T214-Q218 PolarHBondContact O-N 2.8Å; P215-Q218 WeakPolarHBondContact O-CB 3.4Å; P215-Q218 PolarHBondContact O-N 3.06Å; V216-Q218 VanDerWaalsContact C-N 3.34Å; V216-Q218 PolarHBondContact O-N 2.98Å; Q218-R222 WeakPolarHBondContact O-CG 3.39Å; Q218-R222 PolarHBondContact O-N 2.79Å
219	A	97	Very high	97.2	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-44.8	176.3	0	0	0	0	0	112.6	P215 V216 N217 Y221 R222 I223 E349 I352 I353	P215-A219 WeakPolarHBondContact O-CB 3.34Å; P215-A219 PolarHBondContact O-N 3.49Å; V216-A219 PolarHBondContact O-N 2.77Å; N217-A219 VanDerWaalsContact C-N 3.26Å; N217-A219 PolarHBondContact O-N 3.01Å; A219-Y221 PolarHBondContact O-N 3.11Å; A219-R222 WeakPolarHBondContact O-CB 3.15Å; A219-R222 PolarHBondContact O-N 3.29Å; A219-I223 PolarHBondContact O-N 3Å; A219-E349 HydrophobicContact CB-CB 3.8Å; A219-E349 HydrophobicContact CB-CG 3.98Å; A219-I352 HydrophobicContact CB-CB 4.18Å; A219-I352 HydrophobicContact CB-CG2 3.97Å; A219-I353 HydrophobicContact CB-CD1 3.85Å; A219-I353 HydrophobicContact CB-CG1 3.71Å
220	I	98.1	Very high	97.3	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-55.1	-50.7	178.6	-72.4	166.5	0	0	0	110.7	V216 N217 R222 I223 E224 I353 Y357 T502 L506 L508 T514	V216-I220 HydrophobicContact CG1-CD1 3.91Å; V216-I220 HydrophobicContact CG1-CG1 4.46Å; V216-I220 VanDerWaalsContact O-CG1 3.28Å; V216-I220 WeakPolarHBondContact O-CG1 3.38Å; V216-I220 PolarHBondContact O-N 3.01Å; N217-I220 PolarHBondContact O-N 3.19Å; I220-R222 VanDerWaalsContact C-N 3.3Å; I220-R222 PolarHBondContact O-N 3.23Å; I220-I223 PolarHBondContact O-N 3.38Å; I220-I223 VanDerWaalsContact O-N 3.16Å; I220-E224 PolarHBondContact O-N 3.32Å; I220-I353 HydrophobicContact CG1-CD1 3.79Å; I220-I353 HydrophobicContact CG1-CG1 4Å; I220-Y357 HydrophobicContact CD1-CE2 4.49Å; I220-T502 HydrophobicContact CG2-CG2 4.48Å; I220-L506 HydrophobicContact CG1-CD1 4.12Å; I220-L508 HydrophobicContact CD1-CD1 3.96Å; I220-L508 HydrophobicContact CG1-CD1 4.34Å; I220-T514 HydrophobicContact CG2-CG2 4.01Å
221	Y	98	Very high	97.5	Very high	31 Å²	31	21.6 Å²	21.6	12%	0.122	11%	0.108	C	C	.	.	H	α-helix	trans	-72.3	-22.2	-177.6	-69.5	-68.4	0	0	0	113.8	R208 L212 N217 A219 E224 A225 K513 S515 M516	R208-Y221 PolarHBondContact NH2-OH 2.9Å; L212-Y221 HydrophobicContact CD2-CD2 3.76Å; L212-Y221 HydrophobicContact CD2-CE2 3.17Å; N217-Y221 HydrophobicContact CB-CE2 4.46Å; N217-Y221 WeakPolarHBondContact O-CD2 3.48Å; N217-Y221 PolarHBondContact O-N 3.48Å; N217-Y221 VanDerWaalsContact O-N 3.16Å; A219-Y221 PolarHBondContact O-N 3.11Å; Y221-E224 WeakPolarHBondContact CD1-OE2 3.33Å; Y221-E224 WeakPolarHBondContact CE1-OE2 3.29Å; Y221-A225 WeakPolarHBondContact O-CB 3.41Å; Y221-A225 PolarHBondContact O-N 2.92Å; Y221-A225 VanDerWaalsContact O-N 3.07Å; Y221-K513 PolarHBondContact OH-O 3.21Å; Y221-S515 PolarHBondContact OH-O 3.24Å; Y221-M516 HydrophobicContact CD1-CB 4.39Å; Y221-M516 HydrophobicContact CD1-CE 3.69Å; Y221-M516 HydrophobicContact CD2-CE 4.1Å; Y221-M516 HydrophobicContact CE1-CB 3.66Å; Y221-M516 HydrophobicContact CE1-CE 4.08Å; Y221-M516 HydrophobicContact CE1-CG 4.31Å; Y221-M516 HydrophobicContact CG-CE 3.74Å; Y221-M516 WeakPolarHBondContact OH-CA 3.49Å; Y221-M516 PolarHBondContact OH-N 2.73Å; Y221-M516 VanDerWaalsContact OH-N 3.13Å
222	R	97.8	Very high	97.6	Very high	67 Å²	67	24.7 Å²	24.7	25%	0.253	12%	0.123	S	C	.	.	H	α-helix	trans	-69.7	-42.2	168.8	-75.4	179.7	-165.1	-65.7	-0.4	111.3	Q218 A219 I220 A225 G226 Y346 E349	Q218-R222 WeakPolarHBondContact O-CG 3.39Å; Q218-R222 PolarHBondContact O-N 2.79Å; A219-R222 WeakPolarHBondContact O-CB 3.15Å; A219-R222 PolarHBondContact O-N 3.29Å; I220-R222 VanDerWaalsContact C-N 3.3Å; I220-R222 PolarHBondContact O-N 3.23Å; R222-A225 WeakPolarHBondContact O-CB 3.16Å; R222-A225 PolarHBondContact O-N 2.9Å; R222-G226 PolarHBondContact O-N 3.01Å; R222-Y346 HydrophobicContact CB-CE1 4.41Å; R222-Y346 WeakPolarHBondContact O-CE1 3.45Å; R222-E349 HydrophobicContact CB-CG 3.94Å; R222-E349 WeakPolarHBondContact CD-OE1 3.43Å
223	I	98.4	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-42.5	175.9	-69.7	178.8	0	0	0	110.8	A219 I220 A225 G226 V227 L342 Y346 E349 I350 I353 T502 F505 L506	A219-I223 PolarHBondContact O-N 3Å; I220-I223 PolarHBondContact O-N 3.38Å; I220-I223 VanDerWaalsContact O-N 3.16Å; I223-A225 VanDerWaalsContact C-N 3.31Å; I223-A225 PolarHBondContact O-N 3.26Å; I223-G226 CarbonylContact O-C 3.59Å; I223-G226 VanDerWaalsContact O-CA 3.25Å; I223-G226 WeakPolarHBondContact O-CA 3.31Å; I223-G226 PolarHBondContact O-N 3.48Å; I223-V227 PolarHBondContact O-N 2.92Å; I223-L342 HydrophobicContact CG2-CD2 4.15Å; I223-Y346 HydrophobicContact CG1-CD1 4.14Å; I223-Y346 HydrophobicContact CG1-CG 4.37Å; I223-E349 HydrophobicContact CD1-CB 3.78Å; I223-E349 HydrophobicContact CG1-CB 3.79Å; I223-I350 HydrophobicContact CD1-CG1 3.68Å; I223-I353 HydrophobicContact CD1-CD1 3.48Å; I223-I353 VanDerWaalsContact CD1-CD1 3.48Å; I223-T502 HydrophobicContact CG2-CG2 4.44Å; I223-F505 HydrophobicContact CG2-CD1 4.42Å; I223-L506 HydrophobicContact CD1-CD2 3.61Å; I223-L506 HydrophobicContact CG2-CD1 4.43Å; I223-L506 HydrophobicContact CG2-CD2 4.34Å
224	E	98.4	Very high	97.7	Very high	26 Å²	26	26.7 Å²	26.7	12%	0.121	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-42.8	174.6	-166.5	-175.7	144.4	0	0	111.5	I220 Y221 G226 V227 V228 L498 T502	I220-E224 PolarHBondContact O-N 3.32Å; Y221-E224 WeakPolarHBondContact CD1-OE2 3.33Å; Y221-E224 WeakPolarHBondContact CE1-OE2 3.29Å; E224-G226 VanDerWaalsContact C-N 3.27Å; E224-G226 PolarHBondContact O-N 3.26Å; E224-V227 WeakPolarHBondContact O-CB 3.24Å; E224-V227 PolarHBondContact O-N 3.36Å; E224-V228 PolarHBondContact O-N 2.91Å; E224-V228 VanDerWaalsContact O-N 3.16Å; E224-L498 HydrophobicContact CG-CD1 3.82Å; E224-L498 HydrophobicContact CG-CD2 3.9Å; E224-L498 HydrophobicContact CG-CG 3.77Å; E224-L498 WeakPolarHBondContact OE1-CD2 3.43Å; E224-T502 HydrophobicContact CB-CG2 4.14Å
225	A	98.5	Very high	97.9	Very high	56 Å²	56	26.7 Å²	26.7	46%	0.463	13%	0.133	S	C	.	.	H	α-helix	trans	-62.5	-34.2	171.2	0	0	0	0	0	112.4	Y221 R222 I223 V228 K229	Y221-A225 WeakPolarHBondContact O-CB 3.41Å; Y221-A225 PolarHBondContact O-N 2.92Å; Y221-A225 VanDerWaalsContact O-N 3.07Å; R222-A225 WeakPolarHBondContact O-CB 3.16Å; R222-A225 PolarHBondContact O-N 2.9Å; I223-A225 VanDerWaalsContact C-N 3.31Å; I223-A225 PolarHBondContact O-N 3.26Å; A225-V228 PolarHBondContact O-N 3.38Å; A225-K229 WeakPolarHBondContact O-CB 3.3Å; A225-K229 PolarHBondContact O-N 3.2Å
226	G	98.6	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-41.8	171.7	0	0	0	0	0	113.4	R222 I223 E224 V228 K229 F230 Y346	R222-G226 PolarHBondContact O-N 3.01Å; I223-G226 CarbonylContact O-C 3.59Å; I223-G226 VanDerWaalsContact O-CA 3.25Å; I223-G226 WeakPolarHBondContact O-CA 3.31Å; I223-G226 PolarHBondContact O-N 3.48Å; E224-G226 VanDerWaalsContact C-N 3.27Å; E224-G226 PolarHBondContact O-N 3.26Å; G226-V228 VanDerWaalsContact C-N 3.33Å; G226-V228 PolarHBondContact O-N 2.99Å; G226-K229 WeakPolarHBondContact O-CB 3.4Å; G226-K229 PolarHBondContact O-N 3.43Å; G226-F230 WeakPolarHBondContact O-CD2 3.31Å; G226-F230 PolarHBondContact O-N 3.16Å; G226-Y346 VanDerWaalsContact CA-CZ 3.49Å; G226-Y346 VanDerWaalsContact CA-OH 3.23Å; G226-Y346 WeakPolarHBondContact CA-OH 3.46Å
227	V	98.7	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.4	-50	174.1	170.2	0	0	0	0	109.8	I223 E224 F231 L314 M338 L342 L498 V501	I223-V227 PolarHBondContact O-N 2.92Å; E224-V227 WeakPolarHBondContact O-CB 3.24Å; E224-V227 PolarHBondContact O-N 3.36Å; V227-F231 VanDerWaalsContact O-CB 3.27Å; V227-F231 WeakPolarHBondContact O-CB 3.38Å; V227-F231 PolarHBondContact O-N 3.27Å; V227-L314 HydrophobicContact CG1-CD1 4.19Å; V227-M338 HydrophobicContact CB-SD 4.41Å; V227-M338 HydrophobicContact CG1-CE 3.86Å; V227-M338 HydrophobicContact CG1-SD 3.78Å; V227-M338 HydrophobicContact CG2-SD 4.4Å; V227-L342 HydrophobicContact CG2-CD1 3.84Å; V227-L342 HydrophobicContact CG2-CD2 4.42Å; V227-L498 HydrophobicContact CB-CD1 3.91Å; V227-L498 HydrophobicContact CG1-CD1 3.49Å; V227-L498 VanDerWaalsContact CG1-CD1 3.49Å; V227-V501 HydrophobicContact CG1-CG1 4.16Å; V227-V501 HydrophobicContact CG2-CG1 4.43Å
228	V	98.7	Very high	98.3	Very high	34 Å²	34	36.5 Å²	36.5	21%	0.206	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-44.8	177.3	175	0	0	0	0	111.6	E224 A225 G226 F231 M232 I293 L314 L498	E224-V228 PolarHBondContact O-N 2.91Å; E224-V228 VanDerWaalsContact O-N 3.16Å; A225-V228 PolarHBondContact O-N 3.38Å; G226-V228 VanDerWaalsContact C-N 3.33Å; G226-V228 PolarHBondContact O-N 2.99Å; V228-F231 PolarHBondContact O-N 2.85Å; V228-M232 HydrophobicContact CG1-CG 4.31Å; V228-M232 HydrophobicContact CG1-SD 3.87Å; V228-M232 WeakPolarHBondContact O-CB 3.26Å; V228-M232 WeakPolarHBondContact O-CG 3.38Å; V228-M232 PolarHBondContact O-N 3.43Å; V228-I293 HydrophobicContact CG1-CD1 4Å; V228-L314 HydrophobicContact CG2-CD2 4.5Å; V228-L498 HydrophobicContact CG2-CD1 3.77Å; V228-L498 HydrophobicContact CG2-CD2 3.81Å; V228-L498 HydrophobicContact CG2-CG 4.46Å
229	K	98.7	Very high	98.4	Very high	83 Å²	83	36.7 Å²	36.7	36%	0.361	21%	0.206	S	C	.	.	H	α-helix	trans	-55.4	-55	178	173.8	-172.5	161.9	-173.8	0	111.2	A225 G226 F231 M232 E233 E345	A225-K229 WeakPolarHBondContact O-CB 3.3Å; A225-K229 PolarHBondContact O-N 3.2Å; G226-K229 WeakPolarHBondContact O-CB 3.4Å; G226-K229 PolarHBondContact O-N 3.43Å; K229-F231 PolarHBondContact O-N 3.26Å; K229-M232 PolarHBondContact O-N 3Å; K229-E233 VanDerWaalsContact O-CB 3.26Å; K229-E233 WeakPolarHBondContact O-CB 3.47Å; K229-E233 PolarHBondContact O-N 3.38Å; K229-E345 IonicContact NZ-OE1 2.63Å; K229-E345 IonicContact NZ-OE2 3.28Å; K229-E345 PolarHBondContact NZ-OE2 2.97Å
230	F	98.8	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.1	-31.3	-176	-65.9	-58.3	0	0	0	113	G226 Y234 H337 M338 G341 L342 E345 Y346	G226-F230 WeakPolarHBondContact O-CD2 3.31Å; G226-F230 PolarHBondContact O-N 3.16Å; F230-Y234 WeakPolarHBondContact O-CB 3.28Å; F230-Y234 PolarHBondContact O-N 3.23Å; F230-Y234 VanDerWaalsContact O-N 3.08Å; F230-H337 AromaticContact CD1-NE2 3.8Å; F230-M338 HydrophobicContact CB-CB 4.05Å; F230-M338 HydrophobicContact CB-CG 4.2Å; F230-G341 VanDerWaalsContact CE2-CA 3.46Å; F230-G341 WeakPolarHBondContact CZ-O 2.96Å; F230-L342 HydrophobicContact CD2-CD2 4.11Å; F230-L342 HydrophobicContact CD2-CG 4.13Å; F230-L342 HydrophobicContact CE2-CD2 4.06Å; F230-L342 HydrophobicContact CE2-CG 4.26Å; F230-E345 HydrophobicContact CZ-CB 4.4Å; F230-E345 HydrophobicContact CZ-CG 4.38Å; F230-Y346 HydrophobicContact CE2-CD2 4.15Å; F230-Y346 AromaticContact CE2-CE2 3.7Å; F230-Y346 HydrophobicContact CE2-CE2 3.7Å; F230-Y346 HydrophobicContact CZ-CE2 4.12Å
231	F	98.8	Very high	98.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-53.3	169.5	174.8	-91.1	0	0	0	110.9	V227 V228 K229 L235 F291 I293 L314 I316 M334 M338 I496	V227-F231 VanDerWaalsContact O-CB 3.27Å; V227-F231 WeakPolarHBondContact O-CB 3.38Å; V227-F231 PolarHBondContact O-N 3.27Å; V228-F231 PolarHBondContact O-N 2.85Å; K229-F231 PolarHBondContact O-N 3.26Å; F231-L235 HydrophobicContact CD1-CD1 4.01Å; F231-L235 HydrophobicContact CD2-CD1 4.07Å; F231-L235 HydrophobicContact CE1-CD1 3.54Å; F231-L235 HydrophobicContact CE2-CD1 3.61Å; F231-L235 HydrophobicContact CG-CD1 4.25Å; F231-L235 HydrophobicContact CZ-CD1 3.31Å; F231-L235 WeakPolarHBondContact O-CG 3.48Å; F231-L235 PolarHBondContact O-N 3Å; F231-F291 HydrophobicContact CE1-CB 4.21Å; F231-F291 AromaticContact CE1-CD2 3.65Å; F231-F291 HydrophobicContact CE1-CD2 3.65Å; F231-F291 HydrophobicContact CE1-CE2 4.25Å; F231-F291 HydrophobicContact CE1-CG 4.09Å; F231-F291 HydrophobicContact CZ-CB 4.18Å; F231-F291 HydrophobicContact CZ-CD2 4.43Å; F231-I293 HydrophobicContact CD1-CD1 4.02Å; F231-I293 HydrophobicContact CD1-CG1 4.32Å; F231-I293 HydrophobicContact CE1-CD1 4.09Å; F231-I293 HydrophobicContact CE1-CG1 3.95Å; F231-L314 HydrophobicContact CD1-CB 4.46Å; F231-L314 HydrophobicContact CD2-CB 4.02Å; F231-L314 HydrophobicContact CD2-CD1 4.06Å; F231-L314 HydrophobicContact CE1-CB 4.08Å; F231-L314 HydrophobicContact CE2-CB 3.59Å; F231-L314 HydrophobicContact CE2-CD1 4.47Å; F231-L314 HydrophobicContact CG-CB 4.45Å; F231-L314 HydrophobicContact CG-CD1 4.2Å; F231-L314 HydrophobicContact CZ-CB 3.63Å; F231-I316 HydrophobicContact CE2-CD1 3.69Å; F231-I316 HydrophobicContact CE2-CG1 3.77Å; F231-I316 HydrophobicContact CZ-CD1 4.2Å; F231-I316 HydrophobicContact CZ-CG1 3.77Å; F231-M334 HydrophobicContact CD2-CE 4.42Å; F231-M334 HydrophobicContact CD2-SD 3.43Å; F231-M334 WeakPolarHBondContact CD2-SD 3.34Å; F231-M334 HydrophobicContact CE2-SD 3.86Å; F231-M334 HydrophobicContact CG-SD 4.42Å; F231-M338 HydrophobicContact CB-CE 3.92Å; F231-I496 HydrophobicContact CD2-CD1 4.39Å; F231-I496 HydrophobicContact CE2-CD1 4.07Å
232	M	98.5	Very high	98.5	Very high	67 Å²	67	41.6 Å²	41.6	33%	0.33	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-42.8	-179.5	-70.6	-178.1	69.1	0	0	112	V228 K229 T236 F291 I293	V228-M232 HydrophobicContact CG1-CG 4.31Å; V228-M232 HydrophobicContact CG1-SD 3.87Å; V228-M232 WeakPolarHBondContact O-CB 3.26Å; V228-M232 WeakPolarHBondContact O-CG 3.38Å; V228-M232 PolarHBondContact O-N 3.43Å; K229-M232 PolarHBondContact O-N 3Å; M232-T236 WeakPolarHBondContact O-CB 3.31Å; M232-T236 PolarHBondContact O-N 2.71Å; M232-T236 PolarHBondContact O-OG1 2.87Å; M232-F291 HydrophobicContact CE-CZ 4.46Å; M232-F291 HydrophobicContact CG-CE2 4.08Å; M232-F291 HydrophobicContact CG-CZ 4.26Å; M232-I293 HydrophobicContact CG-CD1 3.57Å; M232-I293 HydrophobicContact SD-CD1 3.74Å
233	E	98.5	Very high	98.5	Very high	69 Å²	69	39.4 Å²	39.4	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-58.2	-52.7	179.8	-178.2	-179.7	158.6	0	0	111	K229 L235 N237 H337	K229-E233 VanDerWaalsContact O-CB 3.26Å; K229-E233 WeakPolarHBondContact O-CB 3.47Å; K229-E233 PolarHBondContact O-N 3.38Å; E233-L235 PolarHBondContact O-N 3.18Å; E233-N237 WeakPolarHBondContact O-CB 3.35Å; E233-N237 PolarHBondContact O-N 3.34Å; E233-N237 PolarHBondContact O-ND2 3.34Å; E233-N237 VanDerWaalsContact O-ND2 3.17Å; E233-H337 IonicContact OE1-CE1 3.34Å; E233-H337 IonicContact OE1-NE2 3.75Å
234	Y	98.7	Very high	98.5	Very high	47 Å²	47	46.9 Å²	46.9	18%	0.184	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-48.5	-179.3	-174.7	-86.5	0	0	0	111.7	F230 N237 A238 L330 D333 M334 H337	F230-Y234 WeakPolarHBondContact O-CB 3.28Å; F230-Y234 PolarHBondContact O-N 3.23Å; F230-Y234 VanDerWaalsContact O-N 3.08Å; Y234-N237 PolarHBondContact O-N 2.75Å; Y234-A238 WeakPolarHBondContact O-CB 3.12Å; Y234-A238 PolarHBondContact O-N 3.35Å; Y234-L330 HydrophobicContact CE1-CD2 4.1Å; Y234-L330 HydrophobicContact CE1-CG 4.08Å; Y234-D333 HydrophobicContact CE2-CB 4.2Å; Y234-D333 WeakPolarHBondContact OH-CB 3.5Å; Y234-M334 HydrophobicContact CD1-CB 3.41Å; Y234-M334 VanDerWaalsContact CD1-CB 3.41Å; Y234-M334 HydrophobicContact CD1-CG 3.6Å; Y234-M334 HydrophobicContact CE1-CB 3.61Å; Y234-M334 HydrophobicContact CE1-CG 4.3Å; Y234-M334 HydrophobicContact CG-CB 3.95Å; Y234-M334 HydrophobicContact CG-CG 3.95Å; Y234-H337 HydrophobicContact CD2-CB 3.58Å; Y234-H337 AromaticContact CD2-CG 3.71Å; Y234-H337 HydrophobicContact CE2-CB 4.18Å; Y234-H337 HydrophobicContact CG-CB 4.38Å
235	L	98.7	Very high	98.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69.4	-38.6	-176.7	-65.5	177.7	0	0	0	112.5	F231 E233 N237 A238 G239 F240 F291 I316 L330 M334	F231-L235 HydrophobicContact CD1-CD1 4.01Å; F231-L235 HydrophobicContact CD2-CD1 4.07Å; F231-L235 HydrophobicContact CE1-CD1 3.54Å; F231-L235 HydrophobicContact CE2-CD1 3.61Å; F231-L235 HydrophobicContact CG-CD1 4.25Å; F231-L235 HydrophobicContact CZ-CD1 3.31Å; F231-L235 WeakPolarHBondContact O-CG 3.48Å; F231-L235 PolarHBondContact O-N 3Å; E233-L235 PolarHBondContact O-N 3.18Å; L235-N237 VanDerWaalsContact C-N 3.33Å; L235-N237 PolarHBondContact O-N 3.04Å; L235-A238 CarbonylContact O-C 3.46Å; L235-A238 PolarHBondContact O-N 3.41Å; L235-A238 VanDerWaalsContact O-N 3.15Å; L235-G239 PolarHBondContact O-N 3.22Å; L235-F240 HydrophobicContact CB-CB 4.03Å; L235-F240 HydrophobicContact CB-CD2 4.22Å; L235-F240 HydrophobicContact CB-CG 4.08Å; L235-F240 HydrophobicContact CD2-CD1 4.31Å; L235-F240 HydrophobicContact CD2-CD2 3.98Å; L235-F240 HydrophobicContact CD2-CE1 4.32Å; L235-F240 HydrophobicContact CD2-CE2 3.94Å; L235-F240 HydrophobicContact CD2-CG 4.17Å; L235-F240 HydrophobicContact CD2-CZ 4.12Å; L235-F240 WeakPolarHBondContact O-CB 3.32Å; L235-F240 WeakPolarHBondContact O-CD2 3.16Å; L235-F240 PolarHBondContact O-N 2.81Å; L235-F291 HydrophobicContact CB-CD1 3.87Å; L235-F291 HydrophobicContact CB-CE1 4.13Å; L235-F291 HydrophobicContact CD1-CB 3.74Å; L235-F291 HydrophobicContact CD1-CD1 4.04Å; L235-F291 HydrophobicContact CD1-CG 3.91Å; L235-I316 HydrophobicContact CD1-CD1 3.88Å; L235-I316 HydrophobicContact CD1-CG1 3.82Å; L235-I316 HydrophobicContact CD2-CD1 4.1Å; L235-L330 HydrophobicContact CD2-CD2 4.04Å; L235-M334 HydrophobicContact CD2-CG 4.46Å; L235-M334 HydrophobicContact CG-CG 4.5Å
236	T	98.4	Very high	98.3	Very high	81 Å²	81	46.9 Å²	46.9	50%	0.497	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-44.3	174.7	-56.9	0	0	0	0	110.5	M232 A238 G239	M232-T236 WeakPolarHBondContact O-CB 3.31Å; M232-T236 PolarHBondContact O-N 2.71Å; M232-T236 PolarHBondContact O-OG1 2.87Å; T236-A238 VanDerWaalsContact C-N 3.26Å; T236-A238 PolarHBondContact O-N 3.41Å; T236-G239 PolarHBondContact O-N 2.95Å; T236-G239 VanDerWaalsContact O-N 3.07Å
237	N	98.5	Very high	98.1	Very high	127 Å²	127	49.3 Å²	49.3	68%	0.679	27%	0.271	S	S	*	.	H	α-helix	trans	-65.7	-29.2	176	-69.9	-23.2	0	0	0	112.6	E233 Y234 L235 G239	E233-N237 WeakPolarHBondContact O-CB 3.35Å; E233-N237 PolarHBondContact O-N 3.34Å; E233-N237 PolarHBondContact O-ND2 3.34Å; E233-N237 VanDerWaalsContact O-ND2 3.17Å; Y234-N237 PolarHBondContact O-N 2.75Å; L235-N237 VanDerWaalsContact C-N 3.33Å; L235-N237 PolarHBondContact O-N 3.04Å; N237-G239 PolarHBondContact O-N 3.12Å
238	A	98.3	Very high	97.9	Very high	26 Å²	26	54.2 Å²	54.2	22%	0.215	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	9.5	174	0	0	0	0	0	114	Y234 L235 T236 F240 R289 L330	Y234-A238 WeakPolarHBondContact O-CB 3.12Å; Y234-A238 PolarHBondContact O-N 3.35Å; L235-A238 CarbonylContact O-C 3.46Å; L235-A238 PolarHBondContact O-N 3.41Å; L235-A238 VanDerWaalsContact O-N 3.15Å; T236-A238 VanDerWaalsContact C-N 3.26Å; T236-A238 PolarHBondContact O-N 3.41Å; A238-F240 HydrophobicContact CB-CD2 3.88Å; A238-F240 HydrophobicContact CB-CE2 3.96Å; A238-R289 PolarHBondContact O-NH1 2.96Å; A238-L330 HydrophobicContact CB-CD1 4.37Å
239	G	98.3	Very high	97.5	Very high	53 Å²	53	53.2 Å²	53.2	55%	0.546	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	19.6	174.3	0	0	0	0	0	115	L235 T236 N237	L235-G239 PolarHBondContact O-N 3.22Å; T236-G239 PolarHBondContact O-N 2.95Å; T236-G239 VanDerWaalsContact O-N 3.07Å; N237-G239 PolarHBondContact O-N 3.12Å
240	F	98.7	Very high	96.9	Very high	12 Å²	12	54.3 Å²	54.3	5%	0.053	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-78.4	148.5	176.4	-72.8	-113.6	0	0	0	112.3	L235 A238 R289 F291 I316 M318 L330	L235-F240 HydrophobicContact CB-CB 4.03Å; L235-F240 HydrophobicContact CB-CD2 4.22Å; L235-F240 HydrophobicContact CB-CG 4.08Å; L235-F240 HydrophobicContact CD2-CD1 4.31Å; L235-F240 HydrophobicContact CD2-CD2 3.98Å; L235-F240 HydrophobicContact CD2-CE1 4.32Å; L235-F240 HydrophobicContact CD2-CE2 3.94Å; L235-F240 HydrophobicContact CD2-CG 4.17Å; L235-F240 HydrophobicContact CD2-CZ 4.12Å; L235-F240 WeakPolarHBondContact O-CB 3.32Å; L235-F240 WeakPolarHBondContact O-CD2 3.16Å; L235-F240 PolarHBondContact O-N 2.81Å; A238-F240 HydrophobicContact CB-CD2 3.88Å; A238-F240 HydrophobicContact CB-CE2 3.96Å; F240-R289 WeakPolarHBondContact CA-O 3.4Å; F240-R289 HydrophobicContact CB-CB 4.26Å; F240-R289 HydrophobicContact CD1-CB 3.69Å; F240-R289 HydrophobicContact CD2-CB 3.96Å; F240-R289 HydrophobicContact CE1-CB 3.88Å; F240-R289 HydrophobicContact CE2-CB 4.17Å; F240-R289 HydrophobicContact CE2-CG 4.43Å; F240-R289 HydrophobicContact CG-CB 3.71Å; F240-R289 HydrophobicContact CZ-CB 4.13Å; F240-R289 HydrophobicContact CZ-CG 4.44Å; F240-F291 HydrophobicContact CB-CD1 3.69Å; F240-F291 HydrophobicContact CB-CE1 4.24Å; F240-I316 HydrophobicContact CD1-CG2 4.17Å; F240-I316 HydrophobicContact CE1-CG2 3.4Å; F240-I316 HydrophobicContact CZ-CG2 4.02Å; F240-M318 HydrophobicContact CE1-CB 3.98Å; F240-M318 HydrophobicContact CE2-SD 4.23Å; F240-M318 HydrophobicContact CZ-CB 3.9Å; F240-M318 HydrophobicContact CZ-CG 4.27Å; F240-M318 HydrophobicContact CZ-SD 3.71Å; F240-L330 HydrophobicContact CE2-CD1 3.89Å; F240-L330 HydrophobicContact CE2-CD2 3.88Å; F240-L330 HydrophobicContact CZ-CD1 4.24Å; F240-L330 HydrophobicContact CZ-CD2 3.81Å
241	V	98.5	Very high	96	Very high	66 Å²	66	55.2 Å²	55.2	40%	0.4	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.4	173.3	-177.6	0	0	0	0	110.1	I243 F287 R289 V290 F291	V241-I243 HydrophobicContact CG1-CG2 4.26Å; V241-I243 PolarHBondContact O-N 3.39Å; V241-F287 HydrophobicContact CB-CD1 4.45Å; V241-F287 HydrophobicContact CG1-CD1 4.29Å; V241-F287 HydrophobicContact CG1-CE1 4.46Å; V241-R289 PolarHBondContact N-O 3.16Å; V241-V290 WeakPolarHBondContact O-CA 3.47Å; V241-F291 PolarHBondContact O-N 3.46Å
242	N	98.3	Very high	94.7	Very high	60 Å²	60	56.7 Å²	56.7	32%	0.321	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	119.7	170.2	-171.1	8.5	0	0	0	110	F291	N242-F291 CarbonylContact C-O 3.31Å; N242-F291 WeakPolarHBondContact CA-O 3.2Å; N242-F291 HydrophobicContact CB-CD2 4.32Å; N242-F291 HydrophobicContact CB-CE1 3.95Å; N242-F291 HydrophobicContact CB-CE2 3.66Å; N242-F291 HydrophobicContact CB-CZ 3.46Å; N242-F291 VanDerWaalsContact CB-CZ 3.46Å; N242-F291 VanDerWaalsContact CG-CE2 3.46Å; N242-F291 PolarHBondContact OD1-O 3.47Å
243	I	98.3	Very high	93.1	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.108	31%	0.313	C	S	.	.			trans	-112.6	153.8	178.5	66.1	169.9	0	0	0	111.3	V241 T245 A282 V290 F291 T292	V241-I243 HydrophobicContact CG1-CG2 4.26Å; V241-I243 PolarHBondContact O-N 3.39Å; I243-T245 HydrophobicContact CD1-CG2 3.96Å; I243-T245 HydrophobicContact CG1-CG2 4.3Å; I243-A282 HydrophobicContact CD1-CB 3.88Å; I243-V290 HydrophobicContact CD1-CB 3.87Å; I243-V290 HydrophobicContact CD1-CG1 4.24Å; I243-V290 HydrophobicContact CD1-CG2 3.95Å; I243-V290 HydrophobicContact CG1-CB 4.16Å; I243-V290 HydrophobicContact CG2-CB 4.14Å; I243-V290 HydrophobicContact CG2-CG1 3.83Å; I243-F291 WeakPolarHBondContact CG1-O 3.5Å; I243-F291 PolarHBondContact N-O 3.17Å; I243-T292 WeakPolarHBondContact O-CB 3.48Å; I243-T292 PolarHBondContact O-OG1 2.88Å
244	H	98.2	Very high	91.4	Very high	156 Å²	156	52.2 Å²	52.2	72%	0.722	31%	0.305	S	S	*	.			trans	-118.3	114	176.2	-64.2	-79.6	0	0	0	110.1
245	T	95.5	Very high	89.4	Confident	18 Å²	18	52.4 Å²	52.4	11%	0.11	32%	0.322	C	S	.	.			trans	-103.9	146.5	-175	57.5	0	0	0	0	111.3	I243 K247 P275 Y278	I243-T245 HydrophobicContact CD1-CG2 3.96Å; I243-T245 HydrophobicContact CG1-CG2 4.3Å; T245-K247 WeakPolarHBondContact O-CE 3.21Å; T245-K247 PolarHBondContact OG1-NZ 3.28Å; T245-P275 WeakPolarHBondContact OG1-CB 3.26Å; T245-Y278 VanDerWaalsContact CG2-CB 3.47Å; T245-Y278 HydrophobicContact CG2-CG 4.31Å
246	P	95.9	Very high	87.6	Confident	64 Å²	64	56.8 Å²	56.8	42%	0.416	37%	0.367	S	S	.	.			trans	-65.1	143.9	178.8	29.7	-35.9	0	0	0	110.6	Y278	P246-Y278 HydrophobicContact CG-CD1 4.17Å; P246-Y278 HydrophobicContact CG-CD2 4.22Å; P246-Y278 HydrophobicContact CG-CE1 3.65Å; P246-Y278 HydrophobicContact CG-CE2 3.7Å; P246-Y278 HydrophobicContact CG-CG 4.44Å
247	K	95.2	Very high	86	Confident	52 Å²	52	54.5 Å²	54.5	23%	0.226	36%	0.356	C	S	.	.	S	Bend	trans	-99.7	-9.6	176.2	-51.3	-52.1	177.9	-172.8	0	113.2	T245 L271 A272 F297	T245-K247 WeakPolarHBondContact O-CE 3.21Å; T245-K247 PolarHBondContact OG1-NZ 3.28Å; K247-L271 CarbonylContact O-C 3.48Å; K247-L271 WeakPolarHBondContact O-CA 3.39Å; K247-A272 PolarHBondContact O-N 3.32Å; K247-F297 HydrophobicContact CB-CE2 4.14Å
248	M	93.7	Very high	85.2	Confident	103 Å²	103	53.2 Å²	53.2	51%	0.507	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.3	169.9	-68.9	-177.2	-71.7	0	0	109.3	Y264 A269 Y270 L271	M248-Y264 HydrophobicContact CE-CE2 4.29Å; M248-Y264 HydrophobicContact SD-CD2 4.18Å; M248-Y264 HydrophobicContact SD-CE2 4.1Å; M248-A269 HydrophobicContact CB-CB 4.45Å; M248-Y270 CarbonylContact C-O 3.59Å; M248-Y270 WeakPolarHBondContact CA-O 3.42Å; M248-L271 HydrophobicContact CG-CD2 4.42Å
249	I	90.7	Very high	84.7	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152	-178.3	62	-179.5	0	0	0	111.1	A251 A269 Y270 A272 Y278	I249-A251 WeakPolarHBondContact CD1-O 3.47Å; I249-A251 VanDerWaalsContact CG1-O 3.28Å; I249-A251 WeakPolarHBondContact CG1-O 3.33Å; I249-A269 WeakPolarHBondContact O-CA 3.17Å; I249-Y270 WeakPolarHBondContact CG1-O 3.39Å; I249-Y270 PolarHBondContact N-O 3.13Å; I249-Y270 PolarHBondContact O-N 3.37Å; I249-A272 HydrophobicContact CD1-CB 4.23Å; I249-A272 HydrophobicContact CG2-CB 4.02Å; I249-Y278 HydrophobicContact CG2-CE2 3.72Å; I249-Y278 WeakPolarHBondContact CG2-OH 3.4Å
250	S	86.6	Confident	84.5	Confident	106 Å²	106	54.7 Å²	54.7	74%	0.741	34%	0.339	S	S	*	.	S	Bend	trans	-76.2	-24	-177.4	53	0	0	0	0	113.6	Y270	S250-Y270 WeakPolarHBondContact O-CE2 3.25Å
251	A	78.9	Confident	84.2	Confident	18 Å²	18	62.5 Å²	62.5	15%	0.149	37%	0.368	C	S	.	.	S	Bend	trans	-147.8	155.6	179.2	0	0	0	0	0	110.4	I249 S253 K476	I249-A251 WeakPolarHBondContact CD1-O 3.47Å; I249-A251 VanDerWaalsContact CG1-O 3.28Å; I249-A251 WeakPolarHBondContact CG1-O 3.33Å; A251-S253 PolarHBondContact O-N 2.87Å; A251-K476 HydrophobicContact CB-CB 3.9Å; A251-K476 HydrophobicContact CB-CD 4.19Å; A251-K476 HydrophobicContact CB-CG 4.15Å
252	A	72.9	Confident	84	Confident	32 Å²	32	61.8 Å²	61.8	26%	0.264	36%	0.364	S	S	.	.			trans	-57.1	124.3	172.6	0	0	0	0	0	110.3	V259	A252-V259 HydrophobicContact CB-CG1 3.74Å; A252-V259 HydrophobicContact CB-CG2 4.08Å
253	S	65	Low	83.8	Confident	7 Å²	7	64 Å²	64	5%	0.049	38%	0.383	C	S	.	.	S	Bend	trans	-73.4	-27.8	-175.9	46.2	0	0	0	0	113.5	A251	A251-S253 PolarHBondContact O-N 2.87Å
254	E	62	Low	83.6	Confident	34 Å²	34	68.6 Å²	68.6	16%	0.159	40%	0.401	C	S	.	.	S	Bend	trans	-126	94.1	-173.7	-64.6	173.4	-167.2	0	0	106.7	G256 A257 S274 R298	E254-G256 PolarHBondContact O-N 3.34Å; E254-A257 PolarHBondContact O-N 3.24Å; E254-S274 PolarHBondContact OE1-OG 3.25Å; E254-R298 IonicContact OE2-NH1 3.66Å
255	G	57.1	Low	83.5	Confident	52 Å²	52	69.7 Å²	69.7	54%	0.536	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	138.5	-176.5	0	0	0	0	0	112.2
256	G	60.5	Low	83.4	Confident	91 Å²	91	75.3 Å²	75.3	94%	0.938	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-16.6	176.1	0	0	0	0	0	115.8	E254	E254-G256 PolarHBondContact O-N 3.34Å
257	A	65.9	Low	83.2	Confident	33 Å²	33	74.3 Å²	74.3	27%	0.273	45%	0.445	S	S	.	.	S	Bend	trans	-87.3	151.2	175.2	0	0	0	0	0	112.3	E254 Q273	E254-A257 PolarHBondContact O-N 3.24Å; A257-Q273 VanDerWaalsContact CB-NE2 3.27Å
258	N	81.1	Confident	83	Confident	101 Å²	101	73.7 Å²	73.7	54%	0.54	45%	0.447	S	S	.	.			trans	-66	135.5	171	-72	-25.2	0	0	0	109.2	Q273 A299	N258-Q273 PolarHBondContact O-NE2 3.48Å; N258-A299 HydrophobicContact CB-CB 3.99Å; N258-A299 WeakPolarHBondContact CB-O 3.19Å; N258-A299 WeakPolarHBondContact O-CB 3.42Å
259	V	88	Confident	82.9	Confident	35 Å²	35	69.1 Å²	69.1	21%	0.212	43%	0.426	C	S	.	.			trans	-126.2	142	177.7	-69.9	0	0	0	0	111	A252 R261 Y270 Q273	A252-V259 HydrophobicContact CB-CG1 3.74Å; A252-V259 HydrophobicContact CB-CG2 4.08Å; V259-R261 PolarHBondContact O-N 3.32Å; V259-Y270 HydrophobicContact CB-CD1 4.28Å; V259-Y270 HydrophobicContact CG2-CD1 3.52Å; V259-Y270 HydrophobicContact CG2-CE1 4.05Å; V259-Y270 HydrophobicContact CG2-CG 4.27Å; V259-Q273 HydrophobicContact CG1-CG 4.03Å
260	F	92.9	Very high	83	Confident	74 Å²	74	71.1 Å²	71.1	33%	0.325	43%	0.433	S	S	.	.			trans	-72.1	120.7	171.2	-67.8	-63.8	0	0	0	109.9	Y270 L271 F297 R298 A299 T309	F260-Y270 CarbonylContact O-C 3.57Å; F260-Y270 WeakPolarHBondContact O-CA 3.5Å; F260-L271 HydrophobicContact CB-CB 4.15Å; F260-L271 HydrophobicContact CB-CD1 3.92Å; F260-L271 HydrophobicContact CB-CG 4.1Å; F260-L271 HydrophobicContact CD2-CD1 4.35Å; F260-L271 HydrophobicContact CG-CD1 4.44Å; F260-L271 PolarHBondContact O-N 2.91Å; F260-F297 HydrophobicContact CD2-CB 3.99Å; F260-F297 HydrophobicContact CE2-CB 4.3Å; F260-R298 WeakPolarHBondContact CE2-O 3.44Å; F260-A299 HydrophobicContact CD1-CB 3.94Å; F260-A299 HydrophobicContact CD2-CB 3.81Å; F260-A299 HydrophobicContact CE1-CB 3.83Å; F260-A299 HydrophobicContact CE2-CB 3.72Å; F260-A299 HydrophobicContact CG-CB 3.92Å; F260-A299 HydrophobicContact CZ-CB 3.73Å; F260-T309 HydrophobicContact CZ-CG2 4.27Å
261	R	93.1	Very high	83.4	Confident	177 Å²	177	67.8 Å²	67.8	67%	0.668	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.3	174.9	-171.5	178.3	-175	-167.1	-1	110.1	V259 S268 Y270	V259-R261 PolarHBondContact O-N 3.32Å; R261-S268 VanDerWaalsContact NE-CB 3.31Å; R261-S268 PolarHBondContact NE-OG 2.81Å; R261-S268 PolarHBondContact NH2-OG 3.36Å; R261-Y270 HydrophobicContact CB-CD1 4.05Å; R261-Y270 HydrophobicContact CB-CE1 4.02Å; R261-Y270 HydrophobicContact CG-CD1 4.19Å; R261-Y270 HydrophobicContact CG-CE1 3.84Å
262	V	93.7	Very high	84	Confident	51 Å²	51	67.1 Å²	67.1	31%	0.309	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.5	178.5	-174.4	0	0	0	0	109.1	Y264 S268 A269 L271	V262-Y264 PolarHBondContact O-N 3.31Å; V262-S268 WeakPolarHBondContact O-CA 3.48Å; V262-A269 PolarHBondContact N-O 3.24Å; V262-A269 PolarHBondContact O-N 3.45Å; V262-L271 HydrophobicContact CG2-CD1 4.41Å; V262-L271 HydrophobicContact CG2-CD2 3.94Å; V262-L271 HydrophobicContact CG2-CG 3.85Å
263	S	94.3	Very high	84.9	Confident	105 Å²	105	65.6 Å²	65.6	73%	0.734	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	126.5	171.3	-170.3	0	0	0	0	109.5
264	Y	94.2	Very high	86.1	Confident	119 Å²	119	66 Å²	66	47%	0.467	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	91.9	-177.5	-166	-101.9	0	0	0	110.6	M248 V262 S266 G267 A269	M248-Y264 HydrophobicContact CE-CE2 4.29Å; M248-Y264 HydrophobicContact SD-CD2 4.18Å; M248-Y264 HydrophobicContact SD-CE2 4.1Å; V262-Y264 PolarHBondContact O-N 3.31Å; Y264-S266 PolarHBondContact O-N 3.05Å; Y264-G267 CarbonylContact C-O 3.47Å; Y264-G267 PolarHBondContact N-O 3.31Å; Y264-G267 CarbonylContact O-C 3.59Å; Y264-G267 WeakPolarHBondContact O-CA 3.49Å; Y264-G267 PolarHBondContact O-N 3.01Å; Y264-A269 HydrophobicContact CD2-CB 4.33Å; Y264-A269 HydrophobicContact CG-CB 4.08Å
265	F	95.2	Very high	87.7	Confident	178 Å²	178	64.5 Å²	64.5	78%	0.781	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	-121.4	-170.7	-58.6	-86.4	0	0	0	111.6	G267	F265-G267 VanDerWaalsContact C-N 3.27Å; F265-G267 PolarHBondContact O-N 3.22Å
266	S	94.2	Very high	89.4	Confident	136 Å²	136	62.4 Å²	62.4	95%	0.951	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.1	176.8	53.4	0	0	0	0	114	Y264	Y264-S266 PolarHBondContact O-N 3.05Å
267	G	91.8	Very high	91	Very high	43 Å²	43	59.1 Å²	59.1	44%	0.443	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	-160.1	-178.9	0	0	0	0	0	113.2	Y264 F265	Y264-G267 CarbonylContact C-O 3.47Å; Y264-G267 PolarHBondContact N-O 3.31Å; Y264-G267 CarbonylContact O-C 3.59Å; Y264-G267 WeakPolarHBondContact O-CA 3.49Å; Y264-G267 PolarHBondContact O-N 3.01Å; F265-G267 VanDerWaalsContact C-N 3.27Å; F265-G267 PolarHBondContact O-N 3.22Å
268	S	91	Very high	92.4	Very high	39 Å²	39	60.9 Å²	60.9	27%	0.273	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.7	173.9	53.5	0	0	0	0	111.3	R261 V262	R261-S268 VanDerWaalsContact NE-CB 3.31Å; R261-S268 PolarHBondContact NE-OG 2.81Å; R261-S268 PolarHBondContact NH2-OG 3.36Å; V262-S268 WeakPolarHBondContact O-CA 3.48Å
269	A	92.8	Very high	93.2	Very high	7 Å²	7	56.1 Å²	56.1	6%	0.058	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	172.4	167.3	0	0	0	0	0	109.4	M248 I249 V262 Y264	M248-A269 HydrophobicContact CB-CB 4.45Å; I249-A269 WeakPolarHBondContact O-CA 3.17Å; V262-A269 PolarHBondContact N-O 3.24Å; V262-A269 PolarHBondContact O-N 3.45Å; Y264-A269 HydrophobicContact CD2-CB 4.33Å; Y264-A269 HydrophobicContact CG-CB 4.08Å
270	Y	92.5	Very high	93.6	Very high	56 Å²	56	54.5 Å²	54.5	22%	0.22	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.6	174.5	-53.8	-89.8	0	0	0	109.6	M248 I249 S250 V259 F260 R261	M248-Y270 CarbonylContact C-O 3.59Å; M248-Y270 WeakPolarHBondContact CA-O 3.42Å; I249-Y270 WeakPolarHBondContact CG1-O 3.39Å; I249-Y270 PolarHBondContact N-O 3.13Å; I249-Y270 PolarHBondContact O-N 3.37Å; S250-Y270 WeakPolarHBondContact O-CE2 3.25Å; V259-Y270 HydrophobicContact CB-CD1 4.28Å; V259-Y270 HydrophobicContact CG2-CD1 3.52Å; V259-Y270 HydrophobicContact CG2-CE1 4.05Å; V259-Y270 HydrophobicContact CG2-CG 4.27Å; F260-Y270 CarbonylContact O-C 3.57Å; F260-Y270 WeakPolarHBondContact O-CA 3.5Å; R261-Y270 HydrophobicContact CB-CD1 4.05Å; R261-Y270 HydrophobicContact CB-CE1 4.02Å; R261-Y270 HydrophobicContact CG-CD1 4.19Å; R261-Y270 HydrophobicContact CG-CE1 3.84Å
271	L	94.4	Very high	93.8	Very high	36 Å²	36	53.9 Å²	53.9	19%	0.188	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.1	170.9	-60.3	-179.4	0	0	0	110.4	K247 M248 F260 V262 Q273 F297	K247-L271 CarbonylContact O-C 3.48Å; K247-L271 WeakPolarHBondContact O-CA 3.39Å; M248-L271 HydrophobicContact CG-CD2 4.42Å; F260-L271 HydrophobicContact CB-CB 4.15Å; F260-L271 HydrophobicContact CB-CD1 3.92Å; F260-L271 HydrophobicContact CB-CG 4.1Å; F260-L271 HydrophobicContact CD2-CD1 4.35Å; F260-L271 HydrophobicContact CG-CD1 4.44Å; F260-L271 PolarHBondContact O-N 2.91Å; V262-L271 HydrophobicContact CG2-CD1 4.41Å; V262-L271 HydrophobicContact CG2-CD2 3.94Å; V262-L271 HydrophobicContact CG2-CG 3.85Å; L271-Q273 PolarHBondContact O-N 2.82Å; L271-F297 HydrophobicContact CB-CB 4.07Å; L271-F297 HydrophobicContact CB-CD1 4.44Å; L271-F297 HydrophobicContact CB-CD2 3.7Å; L271-F297 HydrophobicContact CB-CE2 4.26Å; L271-F297 HydrophobicContact CB-CG 3.81Å; L271-F297 HydrophobicContact CD1-CD1 3.74Å; L271-F297 HydrophobicContact CD1-CD2 4.3Å; L271-F297 HydrophobicContact CD1-CE1 3.85Å; L271-F297 HydrophobicContact CD1-CE2 4.4Å; L271-F297 HydrophobicContact CD1-CG 3.97Å; L271-F297 HydrophobicContact CD1-CZ 4.18Å; L271-F297 HydrophobicContact CD2-CE2 4.48Å; L271-F297 HydrophobicContact CG-CD2 4.46Å; L271-F297 HydrophobicContact CG-CG 4.49Å
272	A	92.2	Very high	94.1	Very high	3 Å²	3	46 Å²	46	3%	0.025	26%	0.257	C	S	.	.			trans	-69.6	126.4	-177.7	0	0	0	0	0	111.8	K247 I249 S274 F297	K247-A272 PolarHBondContact O-N 3.32Å; I249-A272 HydrophobicContact CD1-CB 4.23Å; I249-A272 HydrophobicContact CG2-CB 4.02Å; A272-S274 VanDerWaalsContact C-N 3.29Å; A272-F297 WeakPolarHBondContact O-CD2 3.46Å; A272-F297 PolarHBondContact O-N 3.39Å
273	Q	91	Very high	94.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.243	C	C	.	.	S	Bend	trans	-79.6	-14.2	177.8	-60.7	177.7	-79.5	0	0	114.2	A257 N258 V259 L271 V296 F297	A257-Q273 VanDerWaalsContact CB-NE2 3.27Å; N258-Q273 PolarHBondContact O-NE2 3.48Å; V259-Q273 HydrophobicContact CG1-CG 4.03Å; L271-Q273 PolarHBondContact O-N 2.82Å; Q273-V296 WeakPolarHBondContact O-CG1 3.24Å; Q273-F297 WeakPolarHBondContact CA-O 3.41Å; Q273-F297 WeakPolarHBondContact CG-O 3.49Å
274	S	90.8	Very high	94.5	Very high	16 Å²	16	39.3 Å²	39.3	11%	0.112	21%	0.214	C	C	.	.			trans	-163.8	155.7	173.2	71.7	0	0	0	0	107.6	E254 A272 Q276	E254-S274 PolarHBondContact OE1-OG 3.25Å; A272-S274 VanDerWaalsContact C-N 3.29Å; S274-Q276 PolarHBondContact O-N 3.25Å; S274-Q276 WeakPolarHBondContact OG-CB 3.39Å; S274-Q276 PolarHBondContact OG-N 2.85Å
275	P	94.2	Very high	94.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.013	21%	0.214	C	C	.	.	S	Bend	trans	-80.4	14.8	170.3	34.4	-34.8	0	0	0	112.4	T245 L277 Y278 K279 T292 D315	T245-P275 WeakPolarHBondContact OG1-CB 3.26Å; P275-L277 PolarHBondContact O-N 3.39Å; P275-Y278 PolarHBondContact O-N 3.18Å; P275-Y278 VanDerWaalsContact O-N 3.12Å; P275-K279 PolarHBondContact O-N 3.31Å; P275-T292 HydrophobicContact CB-CG2 3.96Å; P275-T292 HydrophobicContact CG-CG2 3.76Å; P275-D315 VanDerWaalsContact CD-OD2 3.27Å; P275-D315 WeakPolarHBondContact CD-OD2 3.48Å; P275-D315 HydrophobicContact CG-CB 3.69Å; P275-D315 WeakPolarHBondContact CG-OD2 3.39Å
276	Q	93.7	Very high	94.8	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-40.7	-166.3	-176	59.1	59.7	0	0	114.3	S274 K279 Q280 E317 Y427 R456	S274-Q276 PolarHBondContact O-N 3.25Å; S274-Q276 WeakPolarHBondContact OG-CB 3.39Å; S274-Q276 PolarHBondContact OG-N 2.85Å; Q276-K279 WeakPolarHBondContact O-CG 3.42Å; Q276-K279 VanDerWaalsContact OE1-NZ 3.16Å; Q276-Q280 WeakPolarHBondContact O-CG 3.21Å; Q276-Q280 PolarHBondContact O-N 3.41Å; Q276-Q280 PolarHBondContact O-NE2 2.75Å; Q276-E317 PolarHBondContact NE2-OE2 3.05Å; Q276-Y427 HydrophobicContact CG-CE1 3.97Å; Q276-Y427 HydrophobicContact CG-CE2 4.26Å; Q276-R456 VanDerWaalsContact NE2-NE 3.17Å
277	L	93.3	Very high	95	Very high	23 Å²	23	32.9 Å²	32.9	12%	0.12	19%	0.188	C	C	.	.	H	α-helix	trans	-68.3	-43.8	178.6	-56.7	-171.6	0	0	0	111.2	P275 Q280 M281 Y480	P275-L277 PolarHBondContact O-N 3.39Å; L277-Q280 PolarHBondContact O-N 3.2Å; L277-M281 VanDerWaalsContact O-CG 3.29Å; L277-M281 WeakPolarHBondContact O-CG 3.49Å; L277-M281 PolarHBondContact O-N 3.49Å; L277-Y480 HydrophobicContact CB-CD2 3.91Å; L277-Y480 HydrophobicContact CB-CE2 4.34Å; L277-Y480 HydrophobicContact CB-CG 4.44Å; L277-Y480 HydrophobicContact CD2-CD1 4.02Å; L277-Y480 HydrophobicContact CD2-CD2 3.76Å; L277-Y480 HydrophobicContact CD2-CE1 3.95Å; L277-Y480 HydrophobicContact CD2-CE2 3.69Å; L277-Y480 HydrophobicContact CD2-CG 3.93Å; L277-Y480 HydrophobicContact CG-CD2 4.32Å
278	Y	96	Very high	95.3	Very high	69 Å²	69	35.7 Å²	35.7	27%	0.271	19%	0.19	S	C	.	.	H	α-helix	trans	-70.4	-37.1	-176.7	-66	-70	0	0	0	113.3	T245 P246 I249 P275 Q280 M281 A282	T245-Y278 VanDerWaalsContact CG2-CB 3.47Å; T245-Y278 HydrophobicContact CG2-CG 4.31Å; P246-Y278 HydrophobicContact CG-CD1 4.17Å; P246-Y278 HydrophobicContact CG-CD2 4.22Å; P246-Y278 HydrophobicContact CG-CE1 3.65Å; P246-Y278 HydrophobicContact CG-CE2 3.7Å; P246-Y278 HydrophobicContact CG-CG 4.44Å; I249-Y278 HydrophobicContact CG2-CE2 3.72Å; I249-Y278 WeakPolarHBondContact CG2-OH 3.4Å; P275-Y278 PolarHBondContact O-N 3.18Å; P275-Y278 VanDerWaalsContact O-N 3.12Å; Y278-Q280 VanDerWaalsContact C-N 3.35Å; Y278-M281 HydrophobicContact CD1-SD 4.45Å; Y278-M281 PolarHBondContact O-N 3.42Å; Y278-A282 PolarHBondContact O-N 2.83Å
279	K	97.1	Very high	95.7	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-36.8	176.4	66.3	-173.7	-173.9	177.7	0	112.1	P275 Q276 A282 I283 V290 D315 I316 E317 G494	P275-K279 PolarHBondContact O-N 3.31Å; Q276-K279 WeakPolarHBondContact O-CG 3.42Å; Q276-K279 VanDerWaalsContact OE1-NZ 3.16Å; K279-A282 WeakPolarHBondContact O-CB 3.27Å; K279-A282 PolarHBondContact O-N 3.32Å; K279-I283 PolarHBondContact O-N 3.47Å; K279-I283 VanDerWaalsContact O-N 3.16Å; K279-V290 HydrophobicContact CB-CG2 4.19Å; K279-D315 HydrophobicContact CD-CB 4.12Å; K279-D315 IonicContact NZ-OD1 3.97Å; K279-D315 PolarHBondContact NZ-OD1 3.44Å; K279-I316 PolarHBondContact NZ-O 3.35Å; K279-E317 HydrophobicContact CB-CB 3.94Å; K279-E317 HydrophobicContact CD-CB 4.01Å; K279-E317 WeakPolarHBondContact CE-OE2 3.29Å; K279-E317 HydrophobicContact CG-CB 3.87Å; K279-E317 HydrophobicContact CG-CG 4.21Å; K279-E317 WeakPolarHBondContact CG-OE2 3.37Å; K279-G494 PolarHBondContact NZ-O 3.34Å
280	Q	97.8	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69	-40.3	172.4	-68.8	173.7	79.7	0	0	112.6	Q276 L277 Y278 A282 I283 A284 E317 R456 Y480 F484	Q276-Q280 WeakPolarHBondContact O-CG 3.21Å; Q276-Q280 PolarHBondContact O-N 3.41Å; Q276-Q280 PolarHBondContact O-NE2 2.75Å; L277-Q280 PolarHBondContact O-N 3.2Å; Y278-Q280 VanDerWaalsContact C-N 3.35Å; Q280-A282 PolarHBondContact O-N 3.44Å; Q280-I283 WeakPolarHBondContact O-CA 3.49Å; Q280-I283 WeakPolarHBondContact O-CB 3.21Å; Q280-I283 PolarHBondContact O-N 3.39Å; Q280-A284 PolarHBondContact O-N 2.99Å; Q280-E317 HydrophobicContact CG-CG 4.38Å; Q280-R456 HydrophobicContact CG-CG 4.24Å; Q280-Y480 HydrophobicContact CB-CE2 4.04Å; Q280-Y480 VanDerWaalsContact CD-OH 3.27Å; Q280-Y480 PolarHBondContact NE2-OH 3.26Å; Q280-Y480 PolarHBondContact OE1-OH 2.93Å; Q280-F484 HydrophobicContact CB-CE1 4.43Å; Q280-F484 HydrophobicContact CB-CZ 3.96Å
281	M	97.5	Very high	96.3	Very high	62 Å²	62	34.6 Å²	34.6	31%	0.305	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-32.1	173.5	-70.8	172.8	68.8	0	0	111.9	L277 Y278 A284 A285 Y480 A483	L277-M281 VanDerWaalsContact O-CG 3.29Å; L277-M281 WeakPolarHBondContact O-CG 3.49Å; L277-M281 PolarHBondContact O-N 3.49Å; Y278-M281 HydrophobicContact CD1-SD 4.45Å; Y278-M281 PolarHBondContact O-N 3.42Å; M281-A284 PolarHBondContact O-N 2.94Å; M281-A285 WeakPolarHBondContact O-CB 3.37Å; M281-A285 PolarHBondContact O-N 3.48Å; M281-Y480 HydrophobicContact CG-CD2 4.21Å; M281-A483 HydrophobicContact CG-CB 3.89Å
282	A	98.3	Very high	96.5	Very high	11 Å²	11	33 Å²	33	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-67.1	-38.4	171.9	0	0	0	0	0	111.9	I243 Y278 K279 Q280 A284 A285 F287 V290	I243-A282 HydrophobicContact CD1-CB 3.88Å; Y278-A282 PolarHBondContact O-N 2.83Å; K279-A282 WeakPolarHBondContact O-CB 3.27Å; K279-A282 PolarHBondContact O-N 3.32Å; Q280-A282 PolarHBondContact O-N 3.44Å; A282-A284 VanDerWaalsContact C-N 3.34Å; A282-A285 CarbonylContact O-C 3.55Å; A282-A285 WeakPolarHBondContact O-CA 3.28Å; A282-A285 PolarHBondContact O-N 2.93Å; A282-F287 HydrophobicContact CB-CB 4.45Å; A282-F287 HydrophobicContact CB-CD2 4.04Å; A282-F287 HydrophobicContact CB-CG 4.42Å; A282-F287 WeakPolarHBondContact O-CB 3.39Å; A282-F287 WeakPolarHBondContact O-CD2 3.39Å; A282-F287 PolarHBondContact O-N 3.1Å; A282-V290 HydrophobicContact CB-CG1 4.09Å; A282-V290 HydrophobicContact CB-CG2 4.35Å
283	I	98.6	Very high	96.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-43.3	171.4	-61.4	-58.5	0	0	0	111.6	K279 Q280 A285 D286 E288 V290 E317 A319 P489 H491	K279-I283 PolarHBondContact O-N 3.47Å; K279-I283 VanDerWaalsContact O-N 3.16Å; Q280-I283 WeakPolarHBondContact O-CA 3.49Å; Q280-I283 WeakPolarHBondContact O-CB 3.21Å; Q280-I283 PolarHBondContact O-N 3.39Å; I283-A285 PolarHBondContact O-N 3.27Å; I283-D286 PolarHBondContact O-N 3.37Å; I283-E288 VanDerWaalsContact CD1-O 3.26Å; I283-E288 WeakPolarHBondContact CD1-O 3.31Å; I283-V290 HydrophobicContact CD1-CG2 4.23Å; I283-E317 HydrophobicContact CD1-CB 4.41Å; I283-E317 HydrophobicContact CD1-CG 4.33Å; I283-E317 HydrophobicContact CG1-CB 4.15Å; I283-E317 HydrophobicContact CG1-CG 3.65Å; I283-A319 HydrophobicContact CG2-CB 4.24Å; I283-P489 HydrophobicContact CG2-CG 3.76Å; I283-H491 HydrophobicContact CG1-CB 4.41Å; I283-H491 HydrophobicContact CG2-CB 3.82Å
284	A	98.1	Very high	97	Very high	15 Å²	15	35.7 Å²	35.7	12%	0.124	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14	174.1	0	0	0	0	0	113.5	Q280 M281 A282 A483 C488	Q280-A284 PolarHBondContact O-N 2.99Å; M281-A284 PolarHBondContact O-N 2.94Å; A282-A284 VanDerWaalsContact C-N 3.34Å; A284-A483 HydrophobicContact CB-CB 4.29Å; A284-C488 HydrophobicContact CB-CB 4.06Å
285	A	98.4	Very high	97.3	Very high	57 Å²	57	36.9 Å²	36.9	47%	0.471	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	29.6	177	0	0	0	0	0	112.5	M281 A282 I283 F287	M281-A285 WeakPolarHBondContact O-CB 3.37Å; M281-A285 PolarHBondContact O-N 3.48Å; A282-A285 CarbonylContact O-C 3.55Å; A282-A285 WeakPolarHBondContact O-CA 3.28Å; A282-A285 PolarHBondContact O-N 2.93Å; I283-A285 PolarHBondContact O-N 3.27Å; A285-F287 VanDerWaalsContact C-N 3.27Å; A285-F287 HydrophobicContact CB-CD2 4.17Å; A285-F287 HydrophobicContact CB-CE2 4.33Å; A285-F287 PolarHBondContact O-N 3.37Å
286	D	98.1	Very high	97.4	Very high	139 Å²	139	37 Å²	37	74%	0.743	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	19.2	174.5	-66.1	-16.6	0	0	0	116.4	I283 E288	I283-D286 PolarHBondContact O-N 3.37Å; D286-E288 PolarHBondContact O-N 3.42Å
287	F	98.1	Very high	97.5	Very high	101 Å²	101	37.9 Å²	37.9	44%	0.443	20%	0.201	S	C	.	.			trans	-72	-15.3	174.1	-77.9	-90.7	0	0	0	113.7	V241 A282 A285 R289 V290	V241-F287 HydrophobicContact CB-CD1 4.45Å; V241-F287 HydrophobicContact CG1-CD1 4.29Å; V241-F287 HydrophobicContact CG1-CE1 4.46Å; A282-F287 HydrophobicContact CB-CB 4.45Å; A282-F287 HydrophobicContact CB-CD2 4.04Å; A282-F287 HydrophobicContact CB-CG 4.42Å; A282-F287 WeakPolarHBondContact O-CB 3.39Å; A282-F287 WeakPolarHBondContact O-CD2 3.39Å; A282-F287 PolarHBondContact O-N 3.1Å; A285-F287 VanDerWaalsContact C-N 3.27Å; A285-F287 HydrophobicContact CB-CD2 4.17Å; A285-F287 HydrophobicContact CB-CE2 4.33Å; A285-F287 PolarHBondContact O-N 3.37Å; F287-R289 PolarHBondContact O-N 3.24Å; F287-V290 HydrophobicContact CB-CG1 3.41Å; F287-V290 VanDerWaalsContact CB-CG1 3.41Å; F287-V290 HydrophobicContact CD1-CG1 4.36Å; F287-V290 HydrophobicContact CG-CG1 4.06Å
288	E	97.7	Very high	97.4	Very high	102 Å²	102	40.7 Å²	40.7	48%	0.477	21%	0.21	S	C	.	.			trans	54.8	-47.3	-176.7	-67.5	-157.8	141.3	0	0	117.1	I283 D286 M318 A319 K321	I283-E288 VanDerWaalsContact CD1-O 3.26Å; I283-E288 WeakPolarHBondContact CD1-O 3.31Å; D286-E288 PolarHBondContact O-N 3.42Å; E288-M318 CarbonylContact O-C 3.41Å; E288-M318 WeakPolarHBondContact O-CA 3.47Å; E288-A319 PolarHBondContact O-N 3.42Å; E288-K321 IonicContact OE1-NZ 3.68Å
289	R	98.7	Very high	97.2	Very high	75 Å²	75	38.3 Å²	38.3	28%	0.283	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	112	-174.8	-57.5	-174.4	-179.5	-132.5	-7.2	109.3	A238 F240 V241 F287 M318	A238-R289 PolarHBondContact O-NH1 2.96Å; F240-R289 WeakPolarHBondContact CA-O 3.4Å; F240-R289 HydrophobicContact CB-CB 4.26Å; F240-R289 HydrophobicContact CD1-CB 3.69Å; F240-R289 HydrophobicContact CD2-CB 3.96Å; F240-R289 HydrophobicContact CE1-CB 3.88Å; F240-R289 HydrophobicContact CE2-CB 4.17Å; F240-R289 HydrophobicContact CE2-CG 4.43Å; F240-R289 HydrophobicContact CG-CB 3.71Å; F240-R289 HydrophobicContact CZ-CB 4.13Å; F240-R289 HydrophobicContact CZ-CG 4.44Å; V241-R289 PolarHBondContact N-O 3.16Å; F287-R289 PolarHBondContact O-N 3.24Å; R289-M318 HydrophobicContact CG-CG 4.07Å; R289-M318 HydrophobicContact CG-SD 4.36Å
290	V	98.7	Very high	96.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.3	-178	-62.7	0	0	0	0	111.9	V241 I243 K279 A282 I283 F287 E317	V241-V290 WeakPolarHBondContact O-CA 3.47Å; I243-V290 HydrophobicContact CD1-CB 3.87Å; I243-V290 HydrophobicContact CD1-CG1 4.24Å; I243-V290 HydrophobicContact CD1-CG2 3.95Å; I243-V290 HydrophobicContact CG1-CB 4.16Å; I243-V290 HydrophobicContact CG2-CB 4.14Å; I243-V290 HydrophobicContact CG2-CG1 3.83Å; K279-V290 HydrophobicContact CB-CG2 4.19Å; A282-V290 HydrophobicContact CB-CG1 4.09Å; A282-V290 HydrophobicContact CB-CG2 4.35Å; I283-V290 HydrophobicContact CD1-CG2 4.23Å; F287-V290 HydrophobicContact CB-CG1 3.41Å; F287-V290 VanDerWaalsContact CB-CG1 3.41Å; F287-V290 HydrophobicContact CD1-CG1 4.36Å; F287-V290 HydrophobicContact CG-CG1 4.06Å; V290-E317 HydrophobicContact CG2-CB 3.92Å; V290-E317 PolarHBondContact N-O 3.03Å; V290-E317 PolarHBondContact O-N 3.17Å; V290-E317 VanDerWaalsContact O-O 3.13Å
291	F	98.7	Very high	96.3	Very high	3 Å²	3	48 Å²	48	1%	0.013	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	158.9	163.5	74.8	-95.9	0	0	0	110.8	F231 M232 L235 F240 V241 N242 I243 I293 D315	F231-F291 HydrophobicContact CE1-CB 4.21Å; F231-F291 AromaticContact CE1-CD2 3.65Å; F231-F291 HydrophobicContact CE1-CD2 3.65Å; F231-F291 HydrophobicContact CE1-CE2 4.25Å; F231-F291 HydrophobicContact CE1-CG 4.09Å; F231-F291 HydrophobicContact CZ-CB 4.18Å; F231-F291 HydrophobicContact CZ-CD2 4.43Å; M232-F291 HydrophobicContact CE-CZ 4.46Å; M232-F291 HydrophobicContact CG-CE2 4.08Å; M232-F291 HydrophobicContact CG-CZ 4.26Å; L235-F291 HydrophobicContact CB-CD1 3.87Å; L235-F291 HydrophobicContact CB-CE1 4.13Å; L235-F291 HydrophobicContact CD1-CB 3.74Å; L235-F291 HydrophobicContact CD1-CD1 4.04Å; L235-F291 HydrophobicContact CD1-CG 3.91Å; F240-F291 HydrophobicContact CB-CD1 3.69Å; F240-F291 HydrophobicContact CB-CE1 4.24Å; V241-F291 PolarHBondContact O-N 3.46Å; N242-F291 CarbonylContact C-O 3.31Å; N242-F291 WeakPolarHBondContact CA-O 3.2Å; N242-F291 HydrophobicContact CB-CD2 4.32Å; N242-F291 HydrophobicContact CB-CE1 3.95Å; N242-F291 HydrophobicContact CB-CE2 3.66Å; N242-F291 HydrophobicContact CB-CZ 3.46Å; N242-F291 VanDerWaalsContact CB-CZ 3.46Å; N242-F291 VanDerWaalsContact CG-CE2 3.46Å; N242-F291 PolarHBondContact OD1-O 3.47Å; I243-F291 WeakPolarHBondContact CG1-O 3.5Å; I243-F291 PolarHBondContact N-O 3.17Å; F291-I293 HydrophobicContact CD2-CD1 4.47Å; F291-I293 HydrophobicContact CD2-CG1 4.33Å; F291-I293 HydrophobicContact CE2-CD1 4.14Å; F291-I293 HydrophobicContact CE2-CG1 4.43Å; F291-D315 CarbonylContact C-O 3.46Å; F291-D315 WeakPolarHBondContact CA-O 3.2Å; F291-D315 WeakPolarHBondContact CB-O 3.48Å
292	T	98.4	Very high	95.9	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.5	172.4	-169.8	0	0	0	0	110.3	I243 P275 D315	I243-T292 WeakPolarHBondContact O-CB 3.48Å; I243-T292 PolarHBondContact O-OG1 2.88Å; P275-T292 HydrophobicContact CB-CG2 3.96Å; P275-T292 HydrophobicContact CG-CG2 3.76Å; T292-D315 HydrophobicContact CG2-CB 3.69Å; T292-D315 PolarHBondContact N-O 3.17Å; T292-D315 PolarHBondContact O-N 3.37Å
293	I	98.3	Very high	95.4	Very high	41 Å²	41	49.6 Å²	49.6	21%	0.21	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.7	175.3	-59.4	166.8	0	0	0	107.2	V228 F231 M232 F291 V312 G313 L314	V228-I293 HydrophobicContact CG1-CD1 4Å; F231-I293 HydrophobicContact CD1-CD1 4.02Å; F231-I293 HydrophobicContact CD1-CG1 4.32Å; F231-I293 HydrophobicContact CE1-CD1 4.09Å; F231-I293 HydrophobicContact CE1-CG1 3.95Å; M232-I293 HydrophobicContact CG-CD1 3.57Å; M232-I293 HydrophobicContact SD-CD1 3.74Å; F291-I293 HydrophobicContact CD2-CD1 4.47Å; F291-I293 HydrophobicContact CD2-CG1 4.33Å; F291-I293 HydrophobicContact CE2-CD1 4.14Å; F291-I293 HydrophobicContact CE2-CG1 4.43Å; I293-V312 HydrophobicContact CG2-CG1 3.9Å; I293-G313 WeakPolarHBondContact CA-O 3.48Å; I293-L314 HydrophobicContact CB-CD2 4.37Å; I293-L314 HydrophobicContact CD1-CD2 4.44Å; I293-L314 HydrophobicContact CG1-CD2 3.89Å; I293-L314 HydrophobicContact CG2-CD2 3.82Å
294	G	97.1	Very high	95.1	Very high	20 Å²	20	51.8 Å²	51.8	21%	0.206	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	179.5	175.8	0	0	0	0	0	114.3	G313	G294-G313 PolarHBondContact N-O 3.02Å; G294-G313 VanDerWaalsContact N-O 3.15Å; G294-G313 PolarHBondContact O-N 3.16Å
295	S	96.8	Very high	94.7	Very high	41 Å²	41	54.9 Å²	54.9	29%	0.287	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	139.6	-176.1	-54.3	0	0	0	0	112.8	E310 F311	S295-E310 PolarHBondContact OG-OE1 3.45Å; S295-F311 CarbonylContact C-O 3.16Å; S295-F311 WeakPolarHBondContact CA-O 3.37Å
296	V	95.7	Very high	94.4	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.4	173.1	179.4	0	0	0	0	108.2	Q273 E310 F311	Q273-V296 WeakPolarHBondContact O-CG1 3.24Å; V296-E310 WeakPolarHBondContact O-CA 3.45Å; V296-F311 HydrophobicContact CB-CD1 4.29Å; V296-F311 HydrophobicContact CB-CD2 4.26Å; V296-F311 HydrophobicContact CB-CE1 3.84Å; V296-F311 HydrophobicContact CB-CE2 3.79Å; V296-F311 HydrophobicContact CB-CG 4.49Å; V296-F311 HydrophobicContact CB-CZ 3.57Å; V296-F311 HydrophobicContact CG1-CD1 4.46Å; V296-F311 HydrophobicContact CG1-CE1 3.58Å; V296-F311 HydrophobicContact CG1-CE2 4.02Å; V296-F311 HydrophobicContact CG1-CZ 3.32Å; V296-F311 HydrophobicContact CG2-CE2 4.25Å; V296-F311 HydrophobicContact CG2-CZ 4.35Å; V296-F311 PolarHBondContact N-O 2.89Å; V296-F311 PolarHBondContact O-N 2.9Å; V296-F311 VanDerWaalsContact O-N 3.07Å
297	F	95.3	Very high	94.2	Very high	25 Å²	25	50.4 Å²	50.4	11%	0.11	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.5	-173	-57.9	-84.9	0	0	0	112.4	K247 F260 L271 A272 Q273 T309 E310	K247-F297 HydrophobicContact CB-CE2 4.14Å; F260-F297 HydrophobicContact CD2-CB 3.99Å; F260-F297 HydrophobicContact CE2-CB 4.3Å; L271-F297 HydrophobicContact CB-CB 4.07Å; L271-F297 HydrophobicContact CB-CD1 4.44Å; L271-F297 HydrophobicContact CB-CD2 3.7Å; L271-F297 HydrophobicContact CB-CE2 4.26Å; L271-F297 HydrophobicContact CB-CG 3.81Å; L271-F297 HydrophobicContact CD1-CD1 3.74Å; L271-F297 HydrophobicContact CD1-CD2 4.3Å; L271-F297 HydrophobicContact CD1-CE1 3.85Å; L271-F297 HydrophobicContact CD1-CE2 4.4Å; L271-F297 HydrophobicContact CD1-CG 3.97Å; L271-F297 HydrophobicContact CD1-CZ 4.18Å; L271-F297 HydrophobicContact CD2-CE2 4.48Å; L271-F297 HydrophobicContact CG-CD2 4.46Å; L271-F297 HydrophobicContact CG-CG 4.49Å; A272-F297 WeakPolarHBondContact O-CD2 3.46Å; A272-F297 PolarHBondContact O-N 3.39Å; Q273-F297 WeakPolarHBondContact CA-O 3.41Å; Q273-F297 WeakPolarHBondContact CG-O 3.49Å; F297-T309 CarbonylContact C-O 3.59Å; F297-T309 WeakPolarHBondContact CA-O 3.42Å; F297-E310 HydrophobicContact CD1-CB 4.1Å; F297-E310 HydrophobicContact CD1-CG 4.06Å; F297-E310 HydrophobicContact CE1-CB 4.17Å; F297-E310 HydrophobicContact CE1-CG 3.71Å; F297-E310 HydrophobicContact CZ-CG 4.45Å
298	R	92.5	Very high	94.1	Very high	81 Å²	81	46 Å²	46	31%	0.306	23%	0.234	S	C	.	.			trans	-124.9	116.9	177.9	-71.4	-67.4	-177	-166.3	-2.7	108.4	E254 F260 E300 T309 F311	E254-R298 IonicContact OE2-NH1 3.66Å; F260-R298 WeakPolarHBondContact CE2-O 3.44Å; R298-E300 VanDerWaalsContact C-OE2 3.28Å; R298-E300 WeakPolarHBondContact CA-OE2 3.24Å; R298-E300 WeakPolarHBondContact CB-OE2 3.11Å; R298-T309 PolarHBondContact N-O 2.98Å; R298-T309 VanDerWaalsContact O-CA 3.29Å; R298-T309 WeakPolarHBondContact O-CA 3.43Å; R298-T309 WeakPolarHBondContact O-CB 3.29Å; R298-T309 WeakPolarHBondContact O-CG2 3.34Å; R298-F311 HydrophobicContact CG-CE1 3.75Å
299	A	91.9	Very high	94.1	Very high	19 Å²	19	42 Å²	42	16%	0.157	22%	0.217	C	C	.	.			trans	-101.6	11.3	-174.4	0	0	0	0	0	112.9	N258 F260	N258-A299 HydrophobicContact CB-CB 3.99Å; N258-A299 WeakPolarHBondContact CB-O 3.19Å; N258-A299 WeakPolarHBondContact O-CB 3.42Å; F260-A299 HydrophobicContact CD1-CB 3.94Å; F260-A299 HydrophobicContact CD2-CB 3.81Å; F260-A299 HydrophobicContact CE1-CB 3.83Å; F260-A299 HydrophobicContact CE2-CB 3.72Å; F260-A299 HydrophobicContact CG-CB 3.92Å; F260-A299 HydrophobicContact CZ-CB 3.73Å
300	E	86.6	Confident	94	Very high	69 Å²	69	41.8 Å²	41.8	32%	0.322	22%	0.219	S	C	.	.	S	Bend	trans	-63.9	134.4	168.1	-60	83.6	175	0	0	110	R298 S302	R298-E300 VanDerWaalsContact C-OE2 3.28Å; R298-E300 WeakPolarHBondContact CA-OE2 3.24Å; R298-E300 WeakPolarHBondContact CB-OE2 3.11Å; E300-S302 PolarHBondContact O-N 2.9Å
301	D	88.7	Confident	94	Very high	137 Å²	137	43.6 Å²	43.6	73%	0.733	23%	0.227	S	C	*	.			trans	-78	63.9	176.3	-170.8	12.1	0	0	0	110.5	P521	D301-P521 VanDerWaalsContact OD1-CB 3.29Å; D301-P521 WeakPolarHBondContact OD1-CB 3.38Å
302	S	88.7	Confident	93.9	Very high	36 Å²	36	45.4 Å²	45.4	25%	0.252	24%	0.238	S	C	.	.			trans	-112.3	103.1	-177.3	-159.9	0	0	0	0	110.6	E300 T304 H307	E300-S302 PolarHBondContact O-N 2.9Å; S302-T304 PolarHBondContact O-N 2.79Å; S302-H307 PolarHBondContact OG-CE1 2.87Å; S302-H307 PolarHBondContact OG-ND1 2.98Å
303	N	89	Confident	93.9	Very high	71 Å²	71	45.3 Å²	45.3	38%	0.38	24%	0.238	S	C	.	.			trans	-100.5	69.3	177.7	-170.2	47.2	0	0	0	111.5	R512	N303-R512 PolarHBondContact OD1-NH2 3.06Å
304	T	91.2	Very high	93.9	Very high	47 Å²	47	43.4 Å²	43.4	29%	0.288	23%	0.228	S	C	.	.	S	Bend	trans	-110.8	173.8	179.8	77.9	0	0	0	0	111.6	S302 R306 H307 R512	S302-T304 PolarHBondContact O-N 2.79Å; T304-R306 PolarHBondContact O-N 3.36Å; T304-R306 VanDerWaalsContact OG1-CG 3.31Å; T304-R306 WeakPolarHBondContact OG1-CG 3.32Å; T304-R306 PolarHBondContact OG1-N 3.02Å; T304-H307 PolarHBondContact OG1-N 2.76Å; T304-H307 PolarHBondContact OG1-ND1 3.38Å; T304-R512 PolarHBondContact O-NH1 3.22Å; T304-R512 PolarHBondContact O-NH2 3.34Å
305	H	90.8	Very high	94	Very high	80 Å²	80	43 Å²	43	37%	0.37	22%	0.221	S	C	.	.	S	Bend	trans	-69.4	-12.3	175.5	63.6	-86.5	0	0	0	113.7	D509 N510 I511	H305-D509 PolarHBondContact CD2-O 3.38Å; H305-N510 HydrophobicContact CB-CB 4.37Å; H305-N510 CarbonylContact O-C 3.57Å; H305-N510 WeakPolarHBondContact O-CA 3.38Å; H305-N510 PolarHBondContact O-OD1 3.48Å; H305-I511 VanDerWaalsContact O-CG2 3.31Å; H305-I511 WeakPolarHBondContact O-CG2 3.38Å; H305-I511 PolarHBondContact O-N 3.29Å
306	R	91.7	Very high	94.1	Very high	47 Å²	47	41 Å²	41	18%	0.177	21%	0.207	C	C	.	.	S	Bend	trans	-116.7	-5.8	-173.2	67.1	169.5	-163.1	-167.9	-3.1	115	T304 T395 I511	T304-R306 PolarHBondContact O-N 3.36Å; T304-R306 VanDerWaalsContact OG1-CG 3.31Å; T304-R306 WeakPolarHBondContact OG1-CG 3.32Å; T304-R306 PolarHBondContact OG1-N 3.02Å; R306-T395 VanDerWaalsContact CZ-OG1 3.25Å; R306-T395 PolarHBondContact NH1-OG1 3.01Å; R306-T395 PolarHBondContact NH2-OG1 3.42Å; R306-I511 WeakPolarHBondContact O-CD1 3.43Å
307	H	93.2	Very high	94.2	Very high	54 Å²	54	40.8 Å²	40.8	25%	0.25	21%	0.206	C	C	.	.			trans	-110.9	142.4	-178.2	-56.7	135.7	0	0	0	111.2	S302 T304	S302-H307 PolarHBondContact OG-CE1 2.87Å; S302-H307 PolarHBondContact OG-ND1 2.98Å; T304-H307 PolarHBondContact OG1-N 2.76Å; T304-H307 PolarHBondContact OG1-ND1 3.38Å
308	L	96.6	Very high	94.4	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.047	20%	0.202	C	C	.	.			trans	-126.4	152.1	167.8	-63.7	173.4	0	0	0	108	E310 F311 E499 I511 R512 P518 R519	L308-E310 WeakPolarHBondContact CB-O 3.36Å; L308-F311 HydrophobicContact CB-CB 4.27Å; L308-F311 HydrophobicContact CD1-CB 4.13Å; L308-E499 HydrophobicContact CD1-CB 4.43Å; L308-E499 HydrophobicContact CD1-CG 4.32Å; L308-I511 HydrophobicContact CD1-CD1 4.13Å; L308-I511 HydrophobicContact CD1-CG1 4.03Å; L308-I511 HydrophobicContact CD1-CG2 4.28Å; L308-I511 HydrophobicContact CD2-CG2 3.88Å; L308-I511 HydrophobicContact CG-CD1 4.23Å; L308-I511 HydrophobicContact CG-CG1 4.32Å; L308-I511 HydrophobicContact CG-CG2 3.73Å; L308-R512 HydrophobicContact CD2-CG 4.04Å; L308-P518 HydrophobicContact CD2-CB 4Å; L308-R519 CarbonylContact C-O 3.59Å; L308-R519 WeakPolarHBondContact CA-O 3.27Å; L308-R519 WeakPolarHBondContact CB-O 3.35Å
309	T	96.7	Very high	94.7	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.11	19%	0.191	C	C	.	.	S	Bend	trans	-84.3	-22.6	174.6	50.8	0	0	0	0	112.7	F260 F297 R298 R519 D520 P521	F260-T309 HydrophobicContact CZ-CG2 4.27Å; F297-T309 CarbonylContact C-O 3.59Å; F297-T309 WeakPolarHBondContact CA-O 3.42Å; R298-T309 PolarHBondContact N-O 2.98Å; R298-T309 VanDerWaalsContact O-CA 3.29Å; R298-T309 WeakPolarHBondContact O-CA 3.43Å; R298-T309 WeakPolarHBondContact O-CB 3.29Å; R298-T309 WeakPolarHBondContact O-CG2 3.34Å; T309-R519 PolarHBondContact N-O 3.06Å; T309-R519 WeakPolarHBondContact OG1-CB 3.19Å; T309-R519 PolarHBondContact OG1-O 3.03Å; T309-D520 WeakPolarHBondContact OG1-CA 3.38Å; T309-D520 PolarHBondContact OG1-N 2.75Å; T309-P521 HydrophobicContact CG2-CG 3.98Å
310	E	97.8	Very high	95	Very high	70 Å²	70	36 Å²	36	33%	0.327	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.4	168	-179.9	179.8	-173.9	0	0	108.4	S295 V296 F297 L308 R519	S295-E310 PolarHBondContact OG-OE1 3.45Å; V296-E310 WeakPolarHBondContact O-CA 3.45Å; F297-E310 HydrophobicContact CD1-CB 4.1Å; F297-E310 HydrophobicContact CD1-CG 4.06Å; F297-E310 HydrophobicContact CE1-CB 4.17Å; F297-E310 HydrophobicContact CE1-CG 3.71Å; F297-E310 HydrophobicContact CZ-CG 4.45Å; L308-E310 WeakPolarHBondContact CB-O 3.36Å; E310-R519 HydrophobicContact CB-CB 3.95Å; E310-R519 HydrophobicContact CB-CG 4.2Å
311	F	97.6	Very high	95.6	Very high	40 Å²	40	39.6 Å²	39.6	18%	0.175	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	170.9	177	69.2	-88.4	0	0	0	110.5	S295 V296 R298 L308 E499	S295-F311 CarbonylContact C-O 3.16Å; S295-F311 WeakPolarHBondContact CA-O 3.37Å; V296-F311 HydrophobicContact CB-CD1 4.29Å; V296-F311 HydrophobicContact CB-CD2 4.26Å; V296-F311 HydrophobicContact CB-CE1 3.84Å; V296-F311 HydrophobicContact CB-CE2 3.79Å; V296-F311 HydrophobicContact CB-CG 4.49Å; V296-F311 HydrophobicContact CB-CZ 3.57Å; V296-F311 HydrophobicContact CG1-CD1 4.46Å; V296-F311 HydrophobicContact CG1-CE1 3.58Å; V296-F311 HydrophobicContact CG1-CE2 4.02Å; V296-F311 HydrophobicContact CG1-CZ 3.32Å; V296-F311 HydrophobicContact CG2-CE2 4.25Å; V296-F311 HydrophobicContact CG2-CZ 4.35Å; V296-F311 PolarHBondContact N-O 2.89Å; V296-F311 PolarHBondContact O-N 2.9Å; V296-F311 VanDerWaalsContact O-N 3.07Å; R298-F311 HydrophobicContact CG-CE1 3.75Å; L308-F311 HydrophobicContact CB-CB 4.27Å; L308-F311 HydrophobicContact CD1-CB 4.13Å; F311-E499 VanDerWaalsContact CA-OE1 3.24Å; F311-E499 WeakPolarHBondContact CA-OE1 3.49Å; F311-E499 WeakPolarHBondContact CB-OE2 3.38Å
312	V	98.4	Very high	96	Very high	40 Å²	40	40 Å²	40	24%	0.242	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.4	178.6	-178.9	0	0	0	0	110.5	I293 L314 L498 E499	I293-V312 HydrophobicContact CG2-CG1 3.9Å; V312-L314 HydrophobicContact CG1-CD2 4.44Å; V312-L498 HydrophobicContact CB-CB 3.99Å; V312-L498 HydrophobicContact CB-CD2 3.89Å; V312-L498 HydrophobicContact CG1-CB 4.21Å; V312-L498 HydrophobicContact CG1-CD2 3.81Å; V312-L498 HydrophobicContact CG2-CD2 4.45Å; V312-L498 WeakPolarHBondContact O-CB 3.13Å; V312-L498 PolarHBondContact O-N 3.29Å; V312-E499 PolarHBondContact N-OE1 3.39Å; V312-E499 PolarHBondContact N-OE2 3.03Å
313	G	98	Very high	96.5	Very high	2 Å²	2	42 Å²	42	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	137.8	172.5	0	0	0	0	0	112	I293 G294 I496	I293-G313 WeakPolarHBondContact CA-O 3.48Å; G294-G313 PolarHBondContact N-O 3.02Å; G294-G313 VanDerWaalsContact N-O 3.15Å; G294-G313 PolarHBondContact O-N 3.16Å; G313-I496 CarbonylContact C-O 3.54Å; G313-I496 WeakPolarHBondContact CA-O 3.17Å
314	L	98.5	Very high	96.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	100.9	164.4	-37.7	173.4	0	0	0	107.2	V227 V228 F231 I293 V312 I496 L498	V227-L314 HydrophobicContact CG1-CD1 4.19Å; V228-L314 HydrophobicContact CG2-CD2 4.5Å; F231-L314 HydrophobicContact CD1-CB 4.46Å; F231-L314 HydrophobicContact CD2-CB 4.02Å; F231-L314 HydrophobicContact CD2-CD1 4.06Å; F231-L314 HydrophobicContact CE1-CB 4.08Å; F231-L314 HydrophobicContact CE2-CB 3.59Å; F231-L314 HydrophobicContact CE2-CD1 4.47Å; F231-L314 HydrophobicContact CG-CB 4.45Å; F231-L314 HydrophobicContact CG-CD1 4.2Å; F231-L314 HydrophobicContact CZ-CB 3.63Å; I293-L314 HydrophobicContact CB-CD2 4.37Å; I293-L314 HydrophobicContact CD1-CD2 4.44Å; I293-L314 HydrophobicContact CG1-CD2 3.89Å; I293-L314 HydrophobicContact CG2-CD2 3.82Å; V312-L314 HydrophobicContact CG1-CD2 4.44Å; L314-I496 HydrophobicContact CB-CB 4.14Å; L314-I496 HydrophobicContact CD1-CG2 4.48Å; L314-I496 PolarHBondContact N-O 3.28Å; L314-I496 WeakPolarHBondContact O-CB 3.41Å; L314-I496 PolarHBondContact O-N 3.01Å; L314-L498 HydrophobicContact CD1-CB 4.43Å; L314-L498 HydrophobicContact CD1-CD1 4.23Å; L314-L498 HydrophobicContact CD2-CB 4.27Å; L314-L498 HydrophobicContact CG-CB 4.24Å
315	D	98.5	Very high	97.3	Very high	11 Å²	11	38.2 Å²	38.2	6%	0.059	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.1	-171.6	-83.5	-90.8	0	0	0	111.2	P275 K279 F291 T292 G495	P275-D315 VanDerWaalsContact CD-OD2 3.27Å; P275-D315 WeakPolarHBondContact CD-OD2 3.48Å; P275-D315 HydrophobicContact CG-CB 3.69Å; P275-D315 WeakPolarHBondContact CG-OD2 3.39Å; K279-D315 HydrophobicContact CD-CB 4.12Å; K279-D315 IonicContact NZ-OD1 3.97Å; K279-D315 PolarHBondContact NZ-OD1 3.44Å; F291-D315 CarbonylContact C-O 3.46Å; F291-D315 WeakPolarHBondContact CA-O 3.2Å; F291-D315 WeakPolarHBondContact CB-O 3.48Å; T292-D315 HydrophobicContact CG2-CB 3.69Å; T292-D315 PolarHBondContact N-O 3.17Å; T292-D315 PolarHBondContact O-N 3.37Å; D315-G495 WeakPolarHBondContact OD1-CA 3.45Å
316	I	98.6	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.1	179.5	-53.4	170.4	0	0	0	108.4	F231 L235 F240 K279 I331 M334 M451 G493 G494	F231-I316 HydrophobicContact CE2-CD1 3.69Å; F231-I316 HydrophobicContact CE2-CG1 3.77Å; F231-I316 HydrophobicContact CZ-CD1 4.2Å; F231-I316 HydrophobicContact CZ-CG1 3.77Å; L235-I316 HydrophobicContact CD1-CD1 3.88Å; L235-I316 HydrophobicContact CD1-CG1 3.82Å; L235-I316 HydrophobicContact CD2-CD1 4.1Å; F240-I316 HydrophobicContact CD1-CG2 4.17Å; F240-I316 HydrophobicContact CE1-CG2 3.4Å; F240-I316 HydrophobicContact CZ-CG2 4.02Å; K279-I316 PolarHBondContact NZ-O 3.35Å; I316-I331 HydrophobicContact CD1-CG1 4.24Å; I316-M334 HydrophobicContact CD1-SD 3.94Å; I316-M451 HydrophobicContact CD1-CE 4.31Å; I316-G493 VanDerWaalsContact O-CA 3.26Å; I316-G493 WeakPolarHBondContact O-CA 3.49Å; I316-G494 PolarHBondContact N-O 3.42Å; I316-G494 PolarHBondContact O-N 2.84Å; I316-G494 VanDerWaalsContact O-N 3.1Å
317	E	98.8	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.7	165.6	-158.7	77.7	-126.4	0	0	109.2	Q276 K279 Q280 I283 V290 R456 H491 A492 G493	Q276-E317 PolarHBondContact NE2-OE2 3.05Å; K279-E317 HydrophobicContact CB-CB 3.94Å; K279-E317 HydrophobicContact CD-CB 4.01Å; K279-E317 WeakPolarHBondContact CE-OE2 3.29Å; K279-E317 HydrophobicContact CG-CB 3.87Å; K279-E317 HydrophobicContact CG-CG 4.21Å; K279-E317 WeakPolarHBondContact CG-OE2 3.37Å; Q280-E317 HydrophobicContact CG-CG 4.38Å; I283-E317 HydrophobicContact CD1-CB 4.41Å; I283-E317 HydrophobicContact CD1-CG 4.33Å; I283-E317 HydrophobicContact CG1-CB 4.15Å; I283-E317 HydrophobicContact CG1-CG 3.65Å; V290-E317 HydrophobicContact CG2-CB 3.92Å; V290-E317 PolarHBondContact N-O 3.03Å; V290-E317 PolarHBondContact O-N 3.17Å; V290-E317 VanDerWaalsContact O-O 3.13Å; E317-R456 WeakPolarHBondContact OE1-CG 3.45Å; E317-R456 IonicContact OE1-NE 3.86Å; E317-R456 IonicContact OE2-NE 2.77Å; E317-H491 IonicContact OE1-CD2 3.03Å; E317-A492 WeakPolarHBondContact OE1-CA 3.39Å; E317-G493 PolarHBondContact OE1-N 2.99Å; E317-G493 VanDerWaalsContact OE1-N 3.16Å
318	M	98.7	Very high	98.3	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.03	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	133.4	-174.9	167.3	170.9	164	0	0	111.4	F240 E288 R289 V327 L330 H491 A492	F240-M318 HydrophobicContact CE1-CB 3.98Å; F240-M318 HydrophobicContact CE2-SD 4.23Å; F240-M318 HydrophobicContact CZ-CB 3.9Å; F240-M318 HydrophobicContact CZ-CG 4.27Å; F240-M318 HydrophobicContact CZ-SD 3.71Å; E288-M318 CarbonylContact O-C 3.41Å; E288-M318 WeakPolarHBondContact O-CA 3.47Å; R289-M318 HydrophobicContact CG-CG 4.07Å; R289-M318 HydrophobicContact CG-SD 4.36Å; M318-V327 HydrophobicContact CB-CG1 4.48Å; M318-V327 HydrophobicContact CB-CG2 4.11Å; M318-V327 HydrophobicContact CG-CG2 4.03Å; M318-V327 HydrophobicContact SD-CG2 4.35Å; M318-L330 HydrophobicContact CE-CD1 4.48Å; M318-L330 HydrophobicContact SD-CD1 3.81Å; M318-H491 VanDerWaalsContact O-CA 3.23Å; M318-H491 WeakPolarHBondContact O-CA 3.32Å; M318-H491 WeakPolarHBondContact O-CB 3.47Å; M318-A492 PolarHBondContact N-O 3.27Å; M318-A492 PolarHBondContact O-N 2.95Å
319	A	98.8	Very high	98.3	Very high	9 Å²	9	36 Å²	36	7%	0.074	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.5	164.9	0	0	0	0	0	110.5	I283 E288 P489 P490	I283-A319 HydrophobicContact CG2-CB 4.24Å; E288-A319 PolarHBondContact O-N 3.42Å; A319-P489 HydrophobicContact CB-CB 4.17Å; A319-P489 HydrophobicContact CB-CG 3.85Å; A319-P490 WeakPolarHBondContact CA-O 3.25Å
320	F	98.6	Very high	98.4	Very high	10 Å²	10	36.1 Å²	36.1	4%	0.044	18%	0.178	C	C	.	.			trans	-120.7	168.4	176.8	63.9	-97.7	0	0	0	110.8	H323 E326 V327 Q455 P490 H491 A492	F320-H323 VanDerWaalsContact CD2-C 3.49Å; F320-E326 HydrophobicContact CB-CB 4.08Å; F320-V327 HydrophobicContact CB-CG2 4.1Å; F320-V327 HydrophobicContact CD1-CG2 4.12Å; F320-Q455 HydrophobicContact CE1-CG 3.96Å; F320-Q455 HydrophobicContact CZ-CG 3.93Å; F320-P490 HydrophobicContact CD2-CB 4.47Å; F320-P490 HydrophobicContact CE1-CB 4.14Å; F320-P490 HydrophobicContact CE2-CB 3.84Å; F320-P490 HydrophobicContact CE2-CG 4.27Å; F320-P490 HydrophobicContact CZ-CB 3.66Å; F320-P490 PolarHBondContact N-O 3.07Å; F320-H491 VanDerWaalsContact CE1-C 3.49Å; F320-A492 HydrophobicContact CD1-CB 4.2Å; F320-A492 HydrophobicContact CE1-CB 4.11Å
321	K	98.2	Very high	98.5	Very high	144 Å²	144	32.8 Å²	32.8	63%	0.626	16%	0.163	S	C	*	.	S	Bend	trans	-98	-46.3	-174	-59.5	-56.3	-178.1	-169.8	0	113.4	E288 E326	E288-K321 IonicContact OE1-NZ 3.68Å; K321-E326 PolarHBondContact N-OE1 3.41Å; K321-E326 PolarHBondContact N-OE2 3.43Å; K321-E326 VanDerWaalsContact N-OE2 3.1Å
322	N	97.9	Very high	98.5	Very high	147 Å²	147	31.1 Å²	31.1	79%	0.786	16%	0.156	S	C	*	.	S	Bend	trans	-123.4	-46.4	-172.8	-61.5	-62.3	0	0	0	113.1	E326	N322-E326 WeakPolarHBondContact CA-OE1 3.39Å; N322-E326 PolarHBondContact N-OE1 2.9Å
323	H	98.6	Very high	98.5	Very high	77 Å²	77	32.5 Å²	32.5	36%	0.356	16%	0.162	S	C	.	.			trans	-144.2	140.7	-173.8	-164.2	-96.7	0	0	0	111.5	F320 H325 E326	F320-H323 VanDerWaalsContact CD2-C 3.49Å; H323-H325 AromaticContact CE1-CD2 3.66Å; H323-H325 AromaticContact CE1-CE1 3.57Å; H323-H325 AromaticContact CE1-CG 3.42Å; H323-H325 VanDerWaalsContact CE1-CG 3.42Å; H323-H325 AromaticContact CE1-ND1 3.35Å; H323-H325 PolarHBondContact CE1-ND1 2.92Å; H323-H325 VanDerWaalsContact CE1-ND1 3.35Å; H323-H325 AromaticContact CE1-NE2 3.75Å; H323-H325 WeakPolarHBondContact ND1-CB 3.34Å; H323-H325 AromaticContact ND1-CD2 3.79Å; H323-H325 AromaticContact ND1-CG 3.2Å; H323-H325 PolarHBondContact ND1-N 3.33Å; H323-H325 AromaticContact ND1-ND1 3.39Å; H323-H325 PolarHBondContact ND1-ND1 2.82Å; H323-H325 PolarHBondContact O-N 3.16Å; H323-E326 PolarHBondContact N-OE1 2.93Å; H323-E326 WeakPolarHBondContact O-CB 3.11Å; H323-E326 WeakPolarHBondContact O-CG 3.37Å; H323-E326 PolarHBondContact O-N 3.22Å
324	Y	98.5	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.1	-177.9	77.8	-81	0	0	0	113.8	E326 V327 V328 D417 K418 N439 Y441 Q455	Y324-E326 PolarHBondContact O-N 3.07Å; Y324-V327 WeakPolarHBondContact O-CB 3.49Å; Y324-V327 PolarHBondContact O-N 3.04Å; Y324-V328 HydrophobicContact CD2-CG2 3.68Å; Y324-V328 HydrophobicContact CE2-CG2 3.76Å; Y324-V328 PolarHBondContact O-N 2.94Å; Y324-V328 VanDerWaalsContact O-N 3.16Å; Y324-D417 PolarHBondContact OH-OD1 3.37Å; Y324-D417 PolarHBondContact OH-OD2 2.86Å; Y324-K418 VanDerWaalsContact OH-CD 3.3Å; Y324-K418 WeakPolarHBondContact OH-CD 3.13Å; Y324-K418 WeakPolarHBondContact OH-CE 3.09Å; Y324-K418 PolarHBondContact OH-NZ 2.86Å; Y324-N439 HydrophobicContact CD1-CB 3.85Å; Y324-N439 HydrophobicContact CE1-CB 3.7Å; Y324-N439 HydrophobicContact CG-CB 4.36Å; Y324-Y441 AromaticContact CD2-CD1 3.87Å; Y324-Y441 HydrophobicContact CD2-CD1 3.87Å; Y324-Y441 AromaticContact CD2-CE1 3.71Å; Y324-Y441 HydrophobicContact CD2-CE1 3.71Å; Y324-Y441 AromaticContact CE2-CD1 3.65Å; Y324-Y441 HydrophobicContact CE2-CD1 3.65Å; Y324-Y441 HydrophobicContact CE2-CE1 4.01Å; Y324-Q455 HydrophobicContact CG-CB 4.11Å
325	H	98.6	Very high	98.6	Very high	39 Å²	39	32.4 Å²	32.4	18%	0.181	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-25.2	170.4	-71	170.3	0	0	0	112.7	H323 V327 V328 D329 D417	H323-H325 AromaticContact CE1-CD2 3.66Å; H323-H325 AromaticContact CE1-CE1 3.57Å; H323-H325 AromaticContact CE1-CG 3.42Å; H323-H325 VanDerWaalsContact CE1-CG 3.42Å; H323-H325 AromaticContact CE1-ND1 3.35Å; H323-H325 PolarHBondContact CE1-ND1 2.92Å; H323-H325 VanDerWaalsContact CE1-ND1 3.35Å; H323-H325 AromaticContact CE1-NE2 3.75Å; H323-H325 WeakPolarHBondContact ND1-CB 3.34Å; H323-H325 AromaticContact ND1-CD2 3.79Å; H323-H325 AromaticContact ND1-CG 3.2Å; H323-H325 PolarHBondContact ND1-N 3.33Å; H323-H325 AromaticContact ND1-ND1 3.39Å; H323-H325 PolarHBondContact ND1-ND1 2.82Å; H323-H325 PolarHBondContact O-N 3.16Å; H325-V327 PolarHBondContact O-N 2.98Å; H325-V328 PolarHBondContact O-N 2.82Å; H325-V328 VanDerWaalsContact O-N 3.17Å; H325-D329 VanDerWaalsContact O-CB 3.32Å; H325-D329 WeakPolarHBondContact O-CB 3.41Å; H325-D329 PolarHBondContact O-N 2.92Å; H325-D417 IonicContact CD2-OD2 3.94Å; H325-D417 IonicContact CE1-OD2 3.51Å; H325-D417 IonicContact NE2-OD2 3.89Å; H325-D417 PolarHBondContact NE2-OD2 2.88Å
326	E	98.7	Very high	98.6	Very high	67 Å²	67	32 Å²	32	31%	0.313	16%	0.16	S	C	.	.	H	α-helix	trans	-54.4	-35.6	169.2	-68.9	169.3	-120.4	0	0	112	F320 K321 N322 H323 Y324 L330	F320-E326 HydrophobicContact CB-CB 4.08Å; K321-E326 PolarHBondContact N-OE1 3.41Å; K321-E326 PolarHBondContact N-OE2 3.43Å; K321-E326 VanDerWaalsContact N-OE2 3.1Å; N322-E326 WeakPolarHBondContact CA-OE1 3.39Å; N322-E326 PolarHBondContact N-OE1 2.9Å; H323-E326 PolarHBondContact N-OE1 2.93Å; H323-E326 WeakPolarHBondContact O-CB 3.11Å; H323-E326 WeakPolarHBondContact O-CG 3.37Å; H323-E326 PolarHBondContact O-N 3.22Å; Y324-E326 PolarHBondContact O-N 3.07Å; E326-L330 WeakPolarHBondContact O-CB 3.32Å; E326-L330 PolarHBondContact O-N 3.25Å
327	V	98.7	Very high	98.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-82.7	-40.7	177	-177.6	0	0	0	0	111.4	M318 F320 Y324 H325 D329 L330 I331 A492	M318-V327 HydrophobicContact CB-CG1 4.48Å; M318-V327 HydrophobicContact CB-CG2 4.11Å; M318-V327 HydrophobicContact CG-CG2 4.03Å; M318-V327 HydrophobicContact SD-CG2 4.35Å; F320-V327 HydrophobicContact CB-CG2 4.1Å; F320-V327 HydrophobicContact CD1-CG2 4.12Å; Y324-V327 WeakPolarHBondContact O-CB 3.49Å; Y324-V327 PolarHBondContact O-N 3.04Å; H325-V327 PolarHBondContact O-N 2.98Å; V327-D329 VanDerWaalsContact C-N 3.34Å; V327-D329 PolarHBondContact O-N 3.24Å; V327-L330 PolarHBondContact O-N 3.5Å; V327-I331 HydrophobicContact CG1-CD1 3.75Å; V327-I331 HydrophobicContact CG1-CG1 4.33Å; V327-I331 VanDerWaalsContact O-CG1 3.3Å; V327-I331 WeakPolarHBondContact O-CG1 3.37Å; V327-I331 PolarHBondContact O-N 2.88Å; V327-A492 HydrophobicContact CB-CB 3.94Å; V327-A492 HydrophobicContact CG1-CB 4.12Å; V327-A492 HydrophobicContact CG2-CB 3.88Å
328	V	98.6	Very high	98.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-45.2	178	179.8	0	0	0	0	110.9	Y324 H325 I331 A332 I415 Y441 F443	Y324-V328 HydrophobicContact CD2-CG2 3.68Å; Y324-V328 HydrophobicContact CE2-CG2 3.76Å; Y324-V328 PolarHBondContact O-N 2.94Å; Y324-V328 VanDerWaalsContact O-N 3.16Å; H325-V328 PolarHBondContact O-N 2.82Å; H325-V328 VanDerWaalsContact O-N 3.17Å; V328-I331 PolarHBondContact O-N 2.81Å; V328-A332 WeakPolarHBondContact O-CB 3.45Å; V328-A332 PolarHBondContact O-N 3Å; V328-I415 HydrophobicContact CG1-CD1 3.94Å; V328-I415 HydrophobicContact CG1-CG2 4.32Å; V328-Y441 HydrophobicContact CG2-CD1 3.54Å; V328-Y441 HydrophobicContact CG2-CD2 4.18Å; V328-Y441 HydrophobicContact CG2-CE1 3.46Å; V328-Y441 VanDerWaalsContact CG2-CE1 3.46Å; V328-Y441 HydrophobicContact CG2-CE2 4.1Å; V328-Y441 HydrophobicContact CG2-CG 3.89Å; V328-F443 HydrophobicContact CG1-CE2 4.47Å; V328-F443 HydrophobicContact CG1-CZ 4.18Å
329	D	98.4	Very high	98.6	Very high	74 Å²	74	34.1 Å²	34.1	40%	0.396	17%	0.169	S	C	.	.	H	α-helix	trans	-65.8	-40.4	-179.7	-63.3	-19.9	0	0	0	110.5	H325 V327 A332 D333 R370	H325-D329 VanDerWaalsContact O-CB 3.32Å; H325-D329 WeakPolarHBondContact O-CB 3.41Å; H325-D329 PolarHBondContact O-N 2.92Å; V327-D329 VanDerWaalsContact C-N 3.34Å; V327-D329 PolarHBondContact O-N 3.24Å; D329-A332 PolarHBondContact O-N 3.13Å; D329-D333 WeakPolarHBondContact O-CB 3.31Å; D329-D333 PolarHBondContact O-N 2.9Å; D329-R370 IonicContact OD1-CZ 3.22Å; D329-R370 IonicContact OD1-NH1 2.82Å; D329-R370 PolarHBondContact OD1-NH1 2.82Å; D329-R370 IonicContact OD1-NH2 2.73Å
330	L	98.5	Very high	98.5	Very high	21 Å²	21	38 Å²	38	11%	0.11	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-44.8	174.7	-174.5	147.1	0	0	0	112.5	Y234 L235 A238 F240 M318 E326 V327 A332 D333 M334	Y234-L330 HydrophobicContact CE1-CD2 4.1Å; Y234-L330 HydrophobicContact CE1-CG 4.08Å; L235-L330 HydrophobicContact CD2-CD2 4.04Å; A238-L330 HydrophobicContact CB-CD1 4.37Å; F240-L330 HydrophobicContact CE2-CD1 3.89Å; F240-L330 HydrophobicContact CE2-CD2 3.88Å; F240-L330 HydrophobicContact CZ-CD1 4.24Å; F240-L330 HydrophobicContact CZ-CD2 3.81Å; M318-L330 HydrophobicContact CE-CD1 4.48Å; M318-L330 HydrophobicContact SD-CD1 3.81Å; E326-L330 WeakPolarHBondContact O-CB 3.32Å; E326-L330 PolarHBondContact O-N 3.25Å; V327-L330 PolarHBondContact O-N 3.5Å; L330-A332 VanDerWaalsContact C-N 3.33Å; L330-D333 PolarHBondContact O-N 3.34Å; L330-M334 WeakPolarHBondContact O-CB 3.24Å; L330-M334 PolarHBondContact O-N 3.45Å
331	I	98.6	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-40.8	176.8	-69.4	167.9	0	0	0	110.3	I316 V327 V328 M334 F335 Y441 F443 M451	I316-I331 HydrophobicContact CD1-CG1 4.24Å; V327-I331 HydrophobicContact CG1-CD1 3.75Å; V327-I331 HydrophobicContact CG1-CG1 4.33Å; V327-I331 VanDerWaalsContact O-CG1 3.3Å; V327-I331 WeakPolarHBondContact O-CG1 3.37Å; V327-I331 PolarHBondContact O-N 2.88Å; V328-I331 PolarHBondContact O-N 2.81Å; I331-M334 WeakPolarHBondContact O-CB 3.48Å; I331-M334 PolarHBondContact O-N 3.18Å; I331-F335 HydrophobicContact CG2-CD2 3.92Å; I331-F335 HydrophobicContact CG2-CE2 3.78Å; I331-F335 VanDerWaalsContact O-CD2 3.31Å; I331-F335 WeakPolarHBondContact O-CD2 3.36Å; I331-F335 PolarHBondContact O-N 3.06Å; I331-Y441 HydrophobicContact CD1-CE2 4.29Å; I331-F443 HydrophobicContact CB-CZ 3.99Å; I331-F443 HydrophobicContact CG2-CD2 4.5Å; I331-F443 HydrophobicContact CG2-CE1 3.86Å; I331-F443 HydrophobicContact CG2-CE2 3.84Å; I331-F443 HydrophobicContact CG2-CZ 3.48Å; I331-F443 VanDerWaalsContact CG2-CZ 3.48Å; I331-M451 HydrophobicContact CD1-CE 3.84Å; I331-M451 HydrophobicContact CD1-SD 4.46Å; I331-M451 HydrophobicContact CG1-CE 4.28Å; I331-M451 HydrophobicContact CG2-CE 3.74Å; I331-M451 HydrophobicContact CG2-SD 3.48Å; I331-M451 WeakPolarHBondContact CG2-SD 3.14Å
332	A	98.7	Very high	98.6	Very high	5 Å²	5	30.7 Å²	30.7	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-46.4	176.9	0	0	0	0	0	111.9	V328 D329 L330 M334 F335 V336 I415 F443	V328-A332 WeakPolarHBondContact O-CB 3.45Å; V328-A332 PolarHBondContact O-N 3Å; D329-A332 PolarHBondContact O-N 3.13Å; L330-A332 VanDerWaalsContact C-N 3.33Å; A332-M334 VanDerWaalsContact C-N 3.33Å; A332-M334 PolarHBondContact O-N 3.28Å; A332-F335 PolarHBondContact O-N 3.19Å; A332-V336 WeakPolarHBondContact O-CG2 3.25Å; A332-V336 PolarHBondContact O-N 2.96Å; A332-I415 HydrophobicContact CB-CD1 3.9Å; A332-F443 HydrophobicContact CB-CE1 4.05Å; A332-F443 HydrophobicContact CB-CZ 4.39Å
333	D	98.5	Very high	98.5	Very high	69 Å²	69	26.7 Å²	26.7	37%	0.369	13%	0.129	S	C	.	.	H	α-helix	trans	-66.5	-33.7	176.5	-78.2	-16.8	0	0	0	112.4	Y234 D329 L330 V336 H337	Y234-D333 HydrophobicContact CE2-CB 4.2Å; Y234-D333 WeakPolarHBondContact OH-CB 3.5Å; D329-D333 WeakPolarHBondContact O-CB 3.31Å; D329-D333 PolarHBondContact O-N 2.9Å; L330-D333 PolarHBondContact O-N 3.34Å; D333-V336 PolarHBondContact O-N 2.82Å; D333-H337 WeakPolarHBondContact O-CB 3.23Å; D333-H337 PolarHBondContact O-N 3.35Å
334	M	98.6	Very high	98.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-45.7	172.5	-177.4	-127.7	64	0	0	111.5	F231 Y234 L235 I316 L330 I331 A332 H337 M338 I496	F231-M334 HydrophobicContact CD2-CE 4.42Å; F231-M334 HydrophobicContact CD2-SD 3.43Å; F231-M334 WeakPolarHBondContact CD2-SD 3.34Å; F231-M334 HydrophobicContact CE2-SD 3.86Å; F231-M334 HydrophobicContact CG-SD 4.42Å; Y234-M334 HydrophobicContact CD1-CB 3.41Å; Y234-M334 VanDerWaalsContact CD1-CB 3.41Å; Y234-M334 HydrophobicContact CD1-CG 3.6Å; Y234-M334 HydrophobicContact CE1-CB 3.61Å; Y234-M334 HydrophobicContact CE1-CG 4.3Å; Y234-M334 HydrophobicContact CG-CB 3.95Å; Y234-M334 HydrophobicContact CG-CG 3.95Å; L235-M334 HydrophobicContact CD2-CG 4.46Å; L235-M334 HydrophobicContact CG-CG 4.5Å; I316-M334 HydrophobicContact CD1-SD 3.94Å; L330-M334 WeakPolarHBondContact O-CB 3.24Å; L330-M334 PolarHBondContact O-N 3.45Å; I331-M334 WeakPolarHBondContact O-CB 3.48Å; I331-M334 PolarHBondContact O-N 3.18Å; A332-M334 VanDerWaalsContact C-N 3.33Å; A332-M334 PolarHBondContact O-N 3.28Å; M334-H337 PolarHBondContact O-N 2.94Å; M334-M338 HydrophobicContact CE-CE 3.92Å; M334-M338 WeakPolarHBondContact O-CB 3.49Å; M334-M338 PolarHBondContact O-N 3.22Å; M334-I496 HydrophobicContact CE-CD1 4.13Å; M334-I496 HydrophobicContact SD-CD1 4.43Å
335	F	98.8	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-43.5	176.8	-84.8	-67.3	0	0	0	111.6	I331 A332 H337 M338 F339 F413 F443 I450 M451 I496 V501	I331-F335 HydrophobicContact CG2-CD2 3.92Å; I331-F335 HydrophobicContact CG2-CE2 3.78Å; I331-F335 VanDerWaalsContact O-CD2 3.31Å; I331-F335 WeakPolarHBondContact O-CD2 3.36Å; I331-F335 PolarHBondContact O-N 3.06Å; A332-F335 PolarHBondContact O-N 3.19Å; F335-H337 VanDerWaalsContact C-N 3.3Å; F335-H337 PolarHBondContact O-N 2.9Å; F335-M338 HydrophobicContact CD1-SD 4.32Å; F335-M338 WeakPolarHBondContact O-CB 3.11Å; F335-M338 PolarHBondContact O-N 2.85Å; F335-M338 VanDerWaalsContact O-N 3.15Å; F335-F339 HydrophobicContact CB-CD2 4.45Å; F335-F339 HydrophobicContact CB-CE2 3.77Å; F335-F339 HydrophobicContact CB-CZ 3.97Å; F335-F339 HydrophobicContact CD1-CE1 4.15Å; F335-F339 HydrophobicContact CD1-CE2 4.37Å; F335-F339 AromaticContact CD1-CZ 3.68Å; F335-F339 HydrophobicContact CD1-CZ 3.68Å; F335-F339 HydrophobicContact CG-CE2 4.45Å; F335-F339 HydrophobicContact CG-CZ 4.19Å; F335-F339 WeakPolarHBondContact O-CD2 3.41Å; F335-F339 WeakPolarHBondContact O-CG 3.36Å; F335-F339 PolarHBondContact O-N 3.35Å; F335-F413 HydrophobicContact CB-CE1 3.72Å; F335-F413 HydrophobicContact CB-CE2 4.06Å; F335-F413 HydrophobicContact CB-CZ 3.29Å; F335-F413 HydrophobicContact CD1-CE2 4.33Å; F335-F413 HydrophobicContact CD1-CZ 4.33Å; F335-F413 HydrophobicContact CD2-CE2 4.03Å; F335-F413 AromaticContact CD2-CZ 3.57Å; F335-F413 HydrophobicContact CD2-CZ 3.57Å; F335-F413 HydrophobicContact CE2-CZ 4.46Å; F335-F413 HydrophobicContact CG-CE1 4.4Å; F335-F413 AromaticContact CG-CE2 3.9Å; F335-F413 HydrophobicContact CG-CE2 3.9Å; F335-F413 AromaticContact CG-CZ 3.49Å; F335-F413 HydrophobicContact CG-CZ 3.49Å; F335-F413 VanDerWaalsContact CG-CZ 3.49Å; F335-F443 AromaticContact CD2-CD1 3.93Å; F335-F443 HydrophobicContact CD2-CD1 3.93Å; F335-F443 HydrophobicContact CD2-CE1 4.1Å; F335-F443 HydrophobicContact CE2-CD1 4.02Å; F335-F443 HydrophobicContact CE2-CE1 4.43Å; F335-F443 HydrophobicContact CE2-CG 4.35Å; F335-I450 HydrophobicContact CD1-CD1 4.34Å; F335-I450 HydrophobicContact CE1-CD1 3.59Å; F335-I450 HydrophobicContact CE2-CD1 4.18Å; F335-I450 HydrophobicContact CZ-CD1 3.5Å; F335-I450 VanDerWaalsContact CZ-CD1 3.5Å; F335-M451 HydrophobicContact CE2-SD 3.86Å; F335-M451 HydrophobicContact CZ-SD 4.38Å; F335-I496 HydrophobicContact CE1-CD1 4.13Å; F335-I496 HydrophobicContact CE1-CG2 4.39Å; F335-I496 HydrophobicContact CE2-CD1 3.93Å; F335-I496 HydrophobicContact CE2-CG1 4.46Å; F335-I496 HydrophobicContact CZ-CD1 3.4Å; F335-I496 HydrophobicContact CZ-CG1 3.83Å; F335-I496 HydrophobicContact CZ-CG2 4.1Å; F335-V501 HydrophobicContact CE1-CG2 4.22Å
336	V	98.6	Very high	98.4	Very high	4 Å²	4	34 Å²	34	2%	0.024	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-41.9	175.5	171.1	0	0	0	0	111.2	A332 D333 K340 F364 Q366	A332-V336 WeakPolarHBondContact O-CG2 3.25Å; A332-V336 PolarHBondContact O-N 2.96Å; D333-V336 PolarHBondContact O-N 2.82Å; V336-K340 HydrophobicContact CG1-CD 4.2Å; V336-K340 WeakPolarHBondContact O-CB 3.4Å; V336-K340 WeakPolarHBondContact O-CG 3.2Å; V336-K340 PolarHBondContact O-N 3.09Å; V336-F364 HydrophobicContact CG1-CD2 4.42Å; V336-F364 HydrophobicContact CG1-CE2 4.04Å; V336-F364 HydrophobicContact CG2-CD2 4.27Å; V336-Q366 HydrophobicContact CG1-CB 4.46Å; V336-Q366 HydrophobicContact CG1-CG 4.28Å
337	H	98.6	Very high	98.3	Very high	49 Å²	49	34.5 Å²	34.5	23%	0.227	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-46.2	174.1	175.3	87.8	0	0	0	111.6	F230 E233 Y234 D333 M334 F335 G341	F230-H337 AromaticContact CD1-NE2 3.8Å; E233-H337 IonicContact OE1-CE1 3.34Å; E233-H337 IonicContact OE1-NE2 3.75Å; Y234-H337 HydrophobicContact CD2-CB 3.58Å; Y234-H337 AromaticContact CD2-CG 3.71Å; Y234-H337 HydrophobicContact CE2-CB 4.18Å; Y234-H337 HydrophobicContact CG-CB 4.38Å; D333-H337 WeakPolarHBondContact O-CB 3.23Å; D333-H337 PolarHBondContact O-N 3.35Å; M334-H337 PolarHBondContact O-N 2.94Å; F335-H337 VanDerWaalsContact C-N 3.3Å; F335-H337 PolarHBondContact O-N 2.9Å; H337-G341 PolarHBondContact O-N 2.81Å
338	M	98.7	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-51.7	176.4	178.5	-168	-65.9	0	0	112.2	V227 F230 F231 M334 F335 K340 G341 L342 V501	V227-M338 HydrophobicContact CB-SD 4.41Å; V227-M338 HydrophobicContact CG1-CE 3.86Å; V227-M338 HydrophobicContact CG1-SD 3.78Å; V227-M338 HydrophobicContact CG2-SD 4.4Å; F230-M338 HydrophobicContact CB-CB 4.05Å; F230-M338 HydrophobicContact CB-CG 4.2Å; F231-M338 HydrophobicContact CB-CE 3.92Å; M334-M338 HydrophobicContact CE-CE 3.92Å; M334-M338 WeakPolarHBondContact O-CB 3.49Å; M334-M338 PolarHBondContact O-N 3.22Å; F335-M338 HydrophobicContact CD1-SD 4.32Å; F335-M338 WeakPolarHBondContact O-CB 3.11Å; F335-M338 PolarHBondContact O-N 2.85Å; F335-M338 VanDerWaalsContact O-N 3.15Å; M338-K340 PolarHBondContact O-N 3.18Å; M338-G341 PolarHBondContact O-N 3.39Å; M338-G341 VanDerWaalsContact O-N 3.16Å; M338-L342 HydrophobicContact CG-CD1 4.08Å; M338-L342 HydrophobicContact CG-CG 4.49Å; M338-L342 WeakPolarHBondContact O-CG 3.32Å; M338-L342 PolarHBondContact O-N 2.93Å; M338-V501 HydrophobicContact SD-CG1 4.04Å
339	F	98.6	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-43.4	-178.2	-56.2	-36.3	0	0	0	111.9	F335 G341 L342 Q343 F362 F364 F413 M445 F505	F335-F339 HydrophobicContact CB-CD2 4.45Å; F335-F339 HydrophobicContact CB-CE2 3.77Å; F335-F339 HydrophobicContact CB-CZ 3.97Å; F335-F339 HydrophobicContact CD1-CE1 4.15Å; F335-F339 HydrophobicContact CD1-CE2 4.37Å; F335-F339 AromaticContact CD1-CZ 3.68Å; F335-F339 HydrophobicContact CD1-CZ 3.68Å; F335-F339 HydrophobicContact CG-CE2 4.45Å; F335-F339 HydrophobicContact CG-CZ 4.19Å; F335-F339 WeakPolarHBondContact O-CD2 3.41Å; F335-F339 WeakPolarHBondContact O-CG 3.36Å; F335-F339 PolarHBondContact O-N 3.35Å; F339-G341 VanDerWaalsContact C-N 3.33Å; F339-G341 PolarHBondContact O-N 3.34Å; F339-L342 PolarHBondContact O-N 2.84Å; F339-Q343 WeakPolarHBondContact O-CB 3.41Å; F339-Q343 WeakPolarHBondContact O-CG 3.49Å; F339-Q343 PolarHBondContact O-N 3.25Å; F339-F362 HydrophobicContact CD1-CD1 4.46Å; F339-F362 HydrophobicContact CD1-CE1 4.2Å; F339-F362 AromaticContact CD2-CE1 3.92Å; F339-F362 HydrophobicContact CD2-CE1 3.92Å; F339-F362 HydrophobicContact CE1-CE1 4.08Å; F339-F362 AromaticContact CE2-CE1 3.8Å; F339-F362 HydrophobicContact CE2-CE1 3.8Å; F339-F362 HydrophobicContact CE2-CZ 4.43Å; F339-F362 HydrophobicContact CG-CD1 4.38Å; F339-F362 HydrophobicContact CG-CE1 4.13Å; F339-F362 AromaticContact CZ-CE1 3.88Å; F339-F362 HydrophobicContact CZ-CE1 3.88Å; F339-F362 HydrophobicContact CZ-CZ 4.23Å; F339-F364 HydrophobicContact CB-CD1 3.78Å; F339-F364 HydrophobicContact CB-CE1 3.42Å; F339-F364 VanDerWaalsContact CB-CE1 3.42Å; F339-F364 HydrophobicContact CB-CE2 4.47Å; F339-F364 HydrophobicContact CB-CG 4.43Å; F339-F364 HydrophobicContact CB-CZ 3.82Å; F339-F364 HydrophobicContact CD2-CB 4.26Å; F339-F364 AromaticContact CD2-CD1 3.92Å; F339-F364 HydrophobicContact CD2-CD1 3.92Å; F339-F364 HydrophobicContact CD2-CD2 4.41Å; F339-F364 HydrophobicContact CD2-CE1 4.41Å; F339-F364 AromaticContact CD2-CG 3.93Å; F339-F364 HydrophobicContact CD2-CG 3.93Å; F339-F364 HydrophobicContact CG-CD1 4.18Å; F339-F364 HydrophobicContact CG-CE1 4.32Å; F339-F413 HydrophobicContact CE2-CB 4.19Å; F339-F413 AromaticContact CE2-CD1 3.71Å; F339-F413 HydrophobicContact CE2-CD1 3.71Å; F339-F413 AromaticContact CE2-CD2 3.83Å; F339-F413 HydrophobicContact CE2-CD2 3.83Å; F339-F413 AromaticContact CE2-CE1 3.91Å; F339-F413 HydrophobicContact CE2-CE1 3.91Å; F339-F413 HydrophobicContact CE2-CE2 4.04Å; F339-F413 AromaticContact CE2-CG 3.65Å; F339-F413 HydrophobicContact CE2-CG 3.65Å; F339-F413 HydrophobicContact CE2-CZ 4.07Å; F339-F413 AromaticContact CZ-CD2 3.99Å; F339-F413 HydrophobicContact CZ-CD2 3.99Å; F339-F413 HydrophobicContact CZ-CE2 4.1Å; F339-F413 HydrophobicContact CZ-CG 4.26Å; F339-F413 HydrophobicContact CZ-CZ 4.46Å; F339-M445 HydrophobicContact CE1-CE 3.77Å; F339-M445 HydrophobicContact CE1-SD 4.08Å; F339-M445 HydrophobicContact CZ-CE 4.05Å; F339-M445 HydrophobicContact CZ-CG 4.46Å; F339-M445 HydrophobicContact CZ-SD 3.94Å; F339-F505 HydrophobicContact CB-CE2 4.42Å; F339-F505 AromaticContact CD1-CD2 3.88Å; F339-F505 HydrophobicContact CD1-CD2 3.88Å; F339-F505 HydrophobicContact CD1-CE2 4.02Å; F339-F505 HydrophobicContact CE1-CD2 4.32Å
340	K	98.4	Very high	97.9	Very high	90 Å²	90	37.4 Å²	37.4	39%	0.391	18%	0.175	S	C	.	.	H	α-helix	trans	-62.2	-40.7	174.2	-73.5	-176.9	179.1	-174.1	0	112.2	V336 M338 R344 F364	V336-K340 HydrophobicContact CG1-CD 4.2Å; V336-K340 WeakPolarHBondContact O-CB 3.4Å; V336-K340 WeakPolarHBondContact O-CG 3.2Å; V336-K340 PolarHBondContact O-N 3.09Å; M338-K340 PolarHBondContact O-N 3.18Å; K340-R344 WeakPolarHBondContact O-CB 3.47Å; K340-R344 PolarHBondContact O-N 3.01Å; K340-F364 HydrophobicContact CG-CE2 4.04Å; K340-F364 HydrophobicContact CG-CZ 3.74Å
341	G	98.5	Very high	97.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-49	176.6	0	0	0	0	0	112	F230 H337 M338 F339 R344 E345	F230-G341 VanDerWaalsContact CE2-CA 3.46Å; F230-G341 WeakPolarHBondContact CZ-O 2.96Å; H337-G341 PolarHBondContact O-N 2.81Å; M338-G341 PolarHBondContact O-N 3.39Å; M338-G341 VanDerWaalsContact O-N 3.16Å; F339-G341 VanDerWaalsContact C-N 3.33Å; F339-G341 PolarHBondContact O-N 3.34Å; G341-R344 PolarHBondContact O-N 2.91Å; G341-E345 PolarHBondContact O-N 2.78Å
342	L	98.5	Very high	97.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-48.5	177.4	-68	174.8	0	0	0	111.6	I223 V227 F230 M338 F339 R344 Y346 F505	I223-L342 HydrophobicContact CG2-CD2 4.15Å; V227-L342 HydrophobicContact CG2-CD1 3.84Å; V227-L342 HydrophobicContact CG2-CD2 4.42Å; F230-L342 HydrophobicContact CD2-CD2 4.11Å; F230-L342 HydrophobicContact CD2-CG 4.13Å; F230-L342 HydrophobicContact CE2-CD2 4.06Å; F230-L342 HydrophobicContact CE2-CG 4.26Å; M338-L342 HydrophobicContact CG-CD1 4.08Å; M338-L342 HydrophobicContact CG-CG 4.49Å; M338-L342 WeakPolarHBondContact O-CG 3.32Å; M338-L342 PolarHBondContact O-N 2.93Å; F339-L342 PolarHBondContact O-N 2.84Å; L342-R344 PolarHBondContact O-N 2.72Å; L342-Y346 HydrophobicContact CD2-CD2 3.94Å; L342-Y346 HydrophobicContact CD2-CE2 4.28Å; L342-Y346 HydrophobicContact CD2-CG 4.38Å; L342-Y346 WeakPolarHBondContact O-CB 3.47Å; L342-Y346 PolarHBondContact O-N 2.92Å; L342-F505 HydrophobicContact CB-CE1 3.9Å; L342-F505 HydrophobicContact CB-CE2 4.38Å; L342-F505 HydrophobicContact CB-CZ 3.62Å; L342-F505 HydrophobicContact CD1-CD1 4.05Å; L342-F505 HydrophobicContact CD1-CD2 4.33Å; L342-F505 HydrophobicContact CD1-CE1 3.88Å; L342-F505 HydrophobicContact CD1-CE2 4.17Å; L342-F505 HydrophobicContact CD1-CG 4.28Å; L342-F505 HydrophobicContact CD1-CZ 3.93Å; L342-F505 HydrophobicContact CG-CE1 4.5Å; L342-F505 HydrophobicContact CG-CZ 4.45Å
343	Q	97.3	Very high	97.3	Very high	63 Å²	63	42.8 Å²	42.8	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-66	-19.3	176.9	-71.9	179.1	-13.5	0	0	113.6	F339 Q347 F362 F505	F339-Q343 WeakPolarHBondContact O-CB 3.41Å; F339-Q343 WeakPolarHBondContact O-CG 3.49Å; F339-Q343 PolarHBondContact O-N 3.25Å; Q343-Q347 WeakPolarHBondContact O-CG 3.34Å; Q343-Q347 PolarHBondContact O-NE2 2.97Å; Q343-F362 PolarHBondContact NE2-O 2.83Å; Q343-F505 HydrophobicContact CG-CZ 4.21Å
344	R	97.7	Very high	97.1	Very high	154 Å²	154	41.8 Å²	41.8	58%	0.581	20%	0.198	S	C	*	.	H	α-helix	trans	-89.4	-46.8	177	179.2	-178.1	63.6	-133.8	-0.9	112.1	K340 G341 L342	K340-R344 WeakPolarHBondContact O-CB 3.47Å; K340-R344 PolarHBondContact O-N 3.01Å; G341-R344 PolarHBondContact O-N 2.91Å; L342-R344 PolarHBondContact O-N 2.72Å
345	E	98.2	Very high	96.7	Very high	82 Å²	82	48.8 Å²	48.8	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-101.2	-17.2	-165.6	-68.1	176.8	-145.7	0	0	114.2	K229 F230 G341	K229-E345 IonicContact NZ-OE1 2.63Å; K229-E345 IonicContact NZ-OE2 3.28Å; K229-E345 PolarHBondContact NZ-OE2 2.97Å; F230-E345 HydrophobicContact CZ-CB 4.4Å; F230-E345 HydrophobicContact CZ-CG 4.38Å; G341-E345 PolarHBondContact O-N 2.78Å
346	Y	97.7	Very high	96.4	Very high	34 Å²	34	49 Å²	49	13%	0.133	23%	0.231	C	C	.	.			trans	-120.7	25.2	-172.2	-63.9	-96.9	0	0	0	113	R222 I223 G226 F230 L342 T348 E349 I350	R222-Y346 HydrophobicContact CB-CE1 4.41Å; R222-Y346 WeakPolarHBondContact O-CE1 3.45Å; I223-Y346 HydrophobicContact CG1-CD1 4.14Å; I223-Y346 HydrophobicContact CG1-CG 4.37Å; G226-Y346 VanDerWaalsContact CA-CZ 3.49Å; G226-Y346 VanDerWaalsContact CA-OH 3.23Å; G226-Y346 WeakPolarHBondContact CA-OH 3.46Å; F230-Y346 HydrophobicContact CE2-CD2 4.15Å; F230-Y346 AromaticContact CE2-CE2 3.7Å; F230-Y346 HydrophobicContact CE2-CE2 3.7Å; F230-Y346 HydrophobicContact CZ-CE2 4.12Å; L342-Y346 HydrophobicContact CD2-CD2 3.94Å; L342-Y346 HydrophobicContact CD2-CE2 4.28Å; L342-Y346 HydrophobicContact CD2-CG 4.38Å; L342-Y346 WeakPolarHBondContact O-CB 3.47Å; L342-Y346 PolarHBondContact O-N 2.92Å; Y346-T348 VanDerWaalsContact C-N 3.3Å; Y346-T348 PolarHBondContact O-N 3.38Å; Y346-E349 WeakPolarHBondContact CA-OE2 3.22Å; Y346-E349 PolarHBondContact O-N 2.89Å; Y346-I350 VanDerWaalsContact O-CG1 3.26Å; Y346-I350 WeakPolarHBondContact O-CG1 3.49Å; Y346-I350 PolarHBondContact O-N 3.23Å
347	Q	95.8	Very high	96.2	Very high	78 Å²	78	49.9 Å²	49.9	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-37.7	-179.2	-78.2	-66	-21.5	0	0	113	Q343 I350 Q351	Q343-Q347 WeakPolarHBondContact O-CG 3.34Å; Q343-Q347 PolarHBondContact O-NE2 2.97Å; Q347-I350 PolarHBondContact O-N 3.09Å; Q347-Q351 WeakPolarHBondContact O-CB 3.35Å; Q347-Q351 VanDerWaalsContact O-CG 3.25Å; Q347-Q351 WeakPolarHBondContact O-CG 3.34Å; Q347-Q351 PolarHBondContact O-N 2.9Å
348	T	93.7	Very high	95.9	Very high	77 Å²	77	54.4 Å²	54.4	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-48.1	176.7	-53.4	0	0	0	0	110.8	Y346 Q351 I352	Y346-T348 VanDerWaalsContact C-N 3.3Å; Y346-T348 PolarHBondContact O-N 3.38Å; T348-Q351 PolarHBondContact O-N 3.02Å; T348-I352 HydrophobicContact CG2-CD1 4.18Å; T348-I352 VanDerWaalsContact O-CG1 3.31Å; T348-I352 WeakPolarHBondContact O-CG1 3.38Å; T348-I352 PolarHBondContact O-N 2.97Å
349	E	96.5	Very high	95.5	Very high	32 Å²	32	55.3 Å²	55.3	15%	0.15	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-43.9	177.2	-71.9	78.2	-177.7	0	0	112.1	A219 R222 I223 Y346 Q351 I352 I353	A219-E349 HydrophobicContact CB-CB 3.8Å; A219-E349 HydrophobicContact CB-CG 3.98Å; R222-E349 HydrophobicContact CB-CG 3.94Å; R222-E349 WeakPolarHBondContact CD-OE1 3.43Å; I223-E349 HydrophobicContact CD1-CB 3.78Å; I223-E349 HydrophobicContact CG1-CB 3.79Å; Y346-E349 WeakPolarHBondContact CA-OE2 3.22Å; Y346-E349 PolarHBondContact O-N 2.89Å; E349-Q351 VanDerWaalsContact C-N 3.31Å; E349-Q351 PolarHBondContact O-N 3.41Å; E349-I352 PolarHBondContact O-N 2.83Å; E349-I353 WeakPolarHBondContact O-CD1 3.46Å; E349-I353 VanDerWaalsContact O-CG1 3.26Å; E349-I353 WeakPolarHBondContact O-CG1 3.39Å; E349-I353 PolarHBondContact O-N 2.93Å
350	I	97.1	Very high	95.3	Very high	27 Å²	27	61.3 Å²	61.3	14%	0.138	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-47.5	176	-69.2	164.7	0	0	0	109.7	I223 Y346 Q347 I352 I353 C354 F505	I223-I350 HydrophobicContact CD1-CG1 3.68Å; Y346-I350 VanDerWaalsContact O-CG1 3.26Å; Y346-I350 WeakPolarHBondContact O-CG1 3.49Å; Y346-I350 PolarHBondContact O-N 3.23Å; Q347-I350 PolarHBondContact O-N 3.09Å; I350-I352 PolarHBondContact O-N 3.2Å; I350-I353 PolarHBondContact O-N 2.94Å; I350-C354 PolarHBondContact O-N 3.36Å; I350-C354 PolarHBondContact O-SG 2.91Å; I350-F505 HydrophobicContact CD1-CE1 4.02Å; I350-F505 HydrophobicContact CD1-CZ 4.32Å; I350-F505 HydrophobicContact CG1-CE1 4.38Å
351	Q	94.4	Very high	95.1	Very high	115 Å²	115	61.4 Å²	61.4	54%	0.537	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-42.6	178.3	-73.4	174.3	-2.3	0	0	112.7	Q347 T348 E349 I353 C354 Q355	Q347-Q351 WeakPolarHBondContact O-CB 3.35Å; Q347-Q351 VanDerWaalsContact O-CG 3.25Å; Q347-Q351 WeakPolarHBondContact O-CG 3.34Å; Q347-Q351 PolarHBondContact O-N 2.9Å; T348-Q351 PolarHBondContact O-N 3.02Å; E349-Q351 VanDerWaalsContact C-N 3.31Å; E349-Q351 PolarHBondContact O-N 3.41Å; Q351-I353 VanDerWaalsContact C-N 3.27Å; Q351-I353 PolarHBondContact O-N 3.38Å; Q351-C354 PolarHBondContact O-N 2.92Å; Q351-Q355 WeakPolarHBondContact O-CG 3.32Å; Q351-Q355 PolarHBondContact O-N 3.48Å; Q351-Q355 VanDerWaalsContact O-N 3.13Å
352	I	93.8	Very high	95.1	Very high	23 Å²	23	61.9 Å²	61.9	12%	0.118	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-42.2	175.4	-71.3	165.7	0	0	0	110.6	D111 P215 V216 A219 T348 E349 I350 Q355	D111-I352 HydrophobicContact CB-CD1 4.24Å; P215-I352 HydrophobicContact CB-CG2 3.9Å; V216-I352 HydrophobicContact CG2-CG2 4.03Å; V216-I352 WeakPolarHBondContact CG2-O 3.48Å; A219-I352 HydrophobicContact CB-CB 4.18Å; A219-I352 HydrophobicContact CB-CG2 3.97Å; T348-I352 HydrophobicContact CG2-CD1 4.18Å; T348-I352 VanDerWaalsContact O-CG1 3.31Å; T348-I352 WeakPolarHBondContact O-CG1 3.38Å; T348-I352 PolarHBondContact O-N 2.97Å; E349-I352 PolarHBondContact O-N 2.83Å; I350-I352 PolarHBondContact O-N 3.2Å; I352-Q355 PolarHBondContact O-N 3.16Å
353	I	95.8	Very high	95.1	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-68.9	-45.3	179.7	-64.9	160.2	0	0	0	110.5	V216 A219 I220 I223 E349 I350 Q351 Q355 Q356 Y357 L506 L508	V216-I353 HydrophobicContact CG1-CG1 4.29Å; A219-I353 HydrophobicContact CB-CD1 3.85Å; A219-I353 HydrophobicContact CB-CG1 3.71Å; I220-I353 HydrophobicContact CG1-CD1 3.79Å; I220-I353 HydrophobicContact CG1-CG1 4Å; I223-I353 HydrophobicContact CD1-CD1 3.48Å; I223-I353 VanDerWaalsContact CD1-CD1 3.48Å; E349-I353 WeakPolarHBondContact O-CD1 3.46Å; E349-I353 VanDerWaalsContact O-CG1 3.26Å; E349-I353 WeakPolarHBondContact O-CG1 3.39Å; E349-I353 PolarHBondContact O-N 2.93Å; I350-I353 PolarHBondContact O-N 2.94Å; Q351-I353 VanDerWaalsContact C-N 3.27Å; Q351-I353 PolarHBondContact O-N 3.38Å; I353-Q355 PolarHBondContact O-N 3.42Å; I353-Q355 VanDerWaalsContact O-N 3.16Å; I353-Q356 PolarHBondContact O-N 2.88Å; I353-Y357 HydrophobicContact CG2-CD2 4.26Å; I353-Y357 PolarHBondContact O-N 3.46Å; I353-L506 HydrophobicContact CD1-CD1 3.87Å; I353-L506 HydrophobicContact CD1-CD2 3.84Å; I353-L506 HydrophobicContact CD1-CG 4.49Å; I353-L508 HydrophobicContact CG2-CD2 4.34Å
354	C	93.9	Very high	95.1	Very high	48 Å²	48	64.3 Å²	64.3	32%	0.324	31%	0.313	S	S	.	.	H	α-helix	trans	-60.4	-23.2	178.2	-70.3	0	0	0	0	113.7	I350 Q351 Q356 Y357	I350-C354 PolarHBondContact O-N 3.36Å; I350-C354 PolarHBondContact O-SG 2.91Å; Q351-C354 PolarHBondContact O-N 2.92Å; C354-Q356 VanDerWaalsContact C-N 3.3Å; C354-Y357 WeakPolarHBondContact CA-O 3.4Å
355	Q	91.1	Very high	95.1	Very high	146 Å²	146	60 Å²	60	68%	0.682	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.7	174	-73.1	171.1	5.1	0	0	113.6	Q351 I352 I353	Q351-Q355 WeakPolarHBondContact O-CG 3.32Å; Q351-Q355 PolarHBondContact O-N 3.48Å; Q351-Q355 VanDerWaalsContact O-N 3.13Å; I352-Q355 PolarHBondContact O-N 3.16Å; I353-Q355 PolarHBondContact O-N 3.42Å; I353-Q355 VanDerWaalsContact O-N 3.16Å
356	Q	92.3	Very high	95	Very high	6 Å²	6	61.6 Å²	61.6	3%	0.028	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-36.4	179.3	-170.4	172.1	-7.6	0	0	112.7	A186 R188 D190 V216 I353 C354	A186-Q356 PolarHBondContact O-NE2 2.83Å; R188-Q356 PolarHBondContact O-NE2 3.49Å; D190-Q356 PolarHBondContact N-O 2.82Å; V216-Q356 HydrophobicContact CG2-CB 3.66Å; V216-Q356 HydrophobicContact CG2-CG 4.42Å; I353-Q356 PolarHBondContact O-N 2.88Å; C354-Q356 VanDerWaalsContact C-N 3.3Å
357	Y	93.2	Very high	94.9	Very high	22 Å²	22	65.5 Å²	65.5	9%	0.086	34%	0.337	C	S	.	.	S	Bend	trans	-122.5	93.1	178.6	-54.6	-56.2	0	0	0	108.5	D190 V216 I220 I353 C354 S359 L508 K513	D190-Y357 VanDerWaalsContact OD2-CD1 3.27Å; D190-Y357 WeakPolarHBondContact OD2-CD1 3.46Å; D190-Y357 WeakPolarHBondContact OD2-CE1 3.45Å; V216-Y357 HydrophobicContact CG1-CD2 3.76Å; V216-Y357 HydrophobicContact CG1-CE2 3.43Å; V216-Y357 VanDerWaalsContact CG1-CE2 3.43Å; I220-Y357 HydrophobicContact CD1-CE2 4.49Å; I353-Y357 HydrophobicContact CG2-CD2 4.26Å; I353-Y357 PolarHBondContact O-N 3.46Å; C354-Y357 WeakPolarHBondContact CA-O 3.4Å; Y357-S359 PolarHBondContact O-N 3.4Å; Y357-L508 HydrophobicContact CD2-CD2 3.4Å; Y357-L508 HydrophobicContact CE2-CD2 4.14Å; Y357-L508 HydrophobicContact CG-CD2 3.7Å; Y357-K513 HydrophobicContact CE1-CD 4.44Å; Y357-K513 HydrophobicContact CE2-CD 4.35Å
358	H	91.8	Very high	95	Very high	143 Å²	143	62.6 Å²	62.6	66%	0.662	33%	0.325	S	S	*	.			trans	-61.4	131.1	179.8	-176.9	73.1	0	0	0	110.9
359	S	92	Very high	95.3	Very high	20 Å²	20	60.1 Å²	60.1	14%	0.14	31%	0.309	C	S	.	.			trans	-154.3	134.6	-178	-179.5	0	0	0	0	109.2	Y357 L506 G507	Y357-S359 PolarHBondContact O-N 3.4Å; S359-L506 WeakPolarHBondContact CB-O 3.42Å; S359-L506 PolarHBondContact OG-O 2.8Å; S359-G507 WeakPolarHBondContact OG-CA 3.4Å
360	E	93.3	Very high	95.4	Very high	126 Å²	126	63 Å²	63	59%	0.589	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-63.6	144.7	173.8	-69.9	-66	163.9	0	0	110.2	F362 R446	E360-F362 PolarHBondContact O-N 2.86Å; E360-R446 PolarHBondContact O-NH2 2.84Å
361	P	95.2	Very high	95.4	Very high	92 Å²	92	62.4 Å²	62.4	60%	0.597	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-50.9	138.5	174.8	-26.3	35	0	0	0	112.1	E363	P361-E363 PolarHBondContact O-N 2.87Å
362	F	97.8	Very high	95.6	Very high	9 Å²	9	59.9 Å²	59.9	4%	0.039	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-72.7	119.3	179.4	-170.4	-94.5	0	0	0	110.6	F339 Q343 E360 F364 D412 F413 M445 R446 F505	F339-F362 HydrophobicContact CD1-CD1 4.46Å; F339-F362 HydrophobicContact CD1-CE1 4.2Å; F339-F362 AromaticContact CD2-CE1 3.92Å; F339-F362 HydrophobicContact CD2-CE1 3.92Å; F339-F362 HydrophobicContact CE1-CE1 4.08Å; F339-F362 AromaticContact CE2-CE1 3.8Å; F339-F362 HydrophobicContact CE2-CE1 3.8Å; F339-F362 HydrophobicContact CE2-CZ 4.43Å; F339-F362 HydrophobicContact CG-CD1 4.38Å; F339-F362 HydrophobicContact CG-CE1 4.13Å; F339-F362 AromaticContact CZ-CE1 3.88Å; F339-F362 HydrophobicContact CZ-CE1 3.88Å; F339-F362 HydrophobicContact CZ-CZ 4.23Å; Q343-F362 PolarHBondContact NE2-O 2.83Å; E360-F362 PolarHBondContact O-N 2.86Å; F362-F364 HydrophobicContact CD1-CD1 4.05Å; F362-F364 HydrophobicContact CE1-CB 4.37Å; F362-F364 HydrophobicContact CE1-CD1 4.31Å; F362-D412 HydrophobicContact CD2-CB 3.88Å; F362-D412 HydrophobicContact CE2-CB 3.54Å; F362-D412 HydrophobicContact CG-CB 4.5Å; F362-D412 HydrophobicContact CZ-CB 3.9Å; F362-F413 HydrophobicContact CE1-CB 4.06Å; F362-F413 HydrophobicContact CZ-CB 3.93Å; F362-M445 HydrophobicContact CD2-CE 4.28Å; F362-M445 HydrophobicContact CE1-CE 4.21Å; F362-M445 HydrophobicContact CE2-CB 4.07Å; F362-M445 HydrophobicContact CE2-CE 3.55Å; F362-M445 HydrophobicContact CE2-CG 4.22Å; F362-M445 HydrophobicContact CZ-CB 4.16Å; F362-M445 HydrophobicContact CZ-CE 3.52Å; F362-M445 HydrophobicContact CZ-CG 3.84Å; F362-M445 HydrophobicContact CZ-SD 4.39Å; F362-R446 HydrophobicContact CD2-CG 4.31Å; F362-R446 HydrophobicContact CE2-CG 4.08Å; F362-F505 HydrophobicContact CB-CD2 4.01Å; F362-F505 HydrophobicContact CB-CE2 4.02Å; F362-F505 AromaticContact CD1-CD2 3.94Å; F362-F505 HydrophobicContact CD1-CD2 3.94Å; F362-F505 HydrophobicContact CD1-CE2 4.12Å; F362-F505 HydrophobicContact CD2-CD2 4.42Å; F362-F505 AromaticContact CG-CD2 3.86Å; F362-F505 HydrophobicContact CG-CD2 3.86Å; F362-F505 HydrophobicContact CG-CE2 4.2Å
363	E	97.9	Very high	95.8	Very high	78 Å²	78	58.8 Å²	58.8	36%	0.364	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-102.3	142.3	179.8	-69.5	166.8	-131.7	0	0	111.8	P361 K406 D412	P361-E363 PolarHBondContact O-N 2.87Å; E363-K406 IonicContact OE1-NZ 3.87Å; E363-K406 PolarHBondContact OE1-NZ 3.27Å; E363-K406 IonicContact OE2-NZ 3.83Å; E363-K406 PolarHBondContact OE2-NZ 2.82Å; E363-D412 PolarHBondContact N-OD2 3.29Å; E363-D412 WeakPolarHBondContact O-CA 3.5Å; E363-D412 WeakPolarHBondContact O-CB 3.47Å; E363-D412 PolarHBondContact O-N 3.39Å
364	F	98.4	Very high	95.8	Very high	38 Å²	38	62 Å²	62	17%	0.167	31%	0.31	C	S	.	.			trans	-149.4	153.5	176.1	58.3	-87.6	0	0	0	110.3	V336 F339 K340 F362 T411 F413	V336-F364 HydrophobicContact CG1-CD2 4.42Å; V336-F364 HydrophobicContact CG1-CE2 4.04Å; V336-F364 HydrophobicContact CG2-CD2 4.27Å; F339-F364 HydrophobicContact CB-CD1 3.78Å; F339-F364 HydrophobicContact CB-CE1 3.42Å; F339-F364 VanDerWaalsContact CB-CE1 3.42Å; F339-F364 HydrophobicContact CB-CE2 4.47Å; F339-F364 HydrophobicContact CB-CG 4.43Å; F339-F364 HydrophobicContact CB-CZ 3.82Å; F339-F364 HydrophobicContact CD2-CB 4.26Å; F339-F364 AromaticContact CD2-CD1 3.92Å; F339-F364 HydrophobicContact CD2-CD1 3.92Å; F339-F364 HydrophobicContact CD2-CD2 4.41Å; F339-F364 HydrophobicContact CD2-CE1 4.41Å; F339-F364 AromaticContact CD2-CG 3.93Å; F339-F364 HydrophobicContact CD2-CG 3.93Å; F339-F364 HydrophobicContact CG-CD1 4.18Å; F339-F364 HydrophobicContact CG-CE1 4.32Å; K340-F364 HydrophobicContact CG-CE2 4.04Å; K340-F364 HydrophobicContact CG-CZ 3.74Å; F362-F364 HydrophobicContact CD1-CD1 4.05Å; F362-F364 HydrophobicContact CE1-CB 4.37Å; F362-F364 HydrophobicContact CE1-CD1 4.31Å; F364-T411 WeakPolarHBondContact CA-OG1 3.28Å; F364-F413 HydrophobicContact CB-CB 3.92Å; F364-F413 HydrophobicContact CB-CD1 4.4Å
365	L	98	Very high	96	Very high	63 Å²	63	62.6 Å²	62.6	33%	0.33	31%	0.31	S	S	.	.			trans	-98.1	152.9	177	-62.3	173	0	0	0	111.6	P367 T368 L369 T411	L365-P367 CarbonylContact C-O 3.44Å; L365-P367 WeakPolarHBondContact CB-O 3.38Å; L365-P367 CarbonylContact O-C 3.54Å; L365-T368 PolarHBondContact O-N 3.38Å; L365-L369 HydrophobicContact CD1-CB 4.28Å; L365-T411 HydrophobicContact CD1-CG2 4.23Å
366	Q	95.3	Very high	96.3	Very high	116 Å²	116	55.7 Å²	55.7	54%	0.542	28%	0.278	S	S	.	.	S	Bend	trans	-131.6	115	166.1	-169.2	178.8	8.5	0	0	109.1	V336	V336-Q366 HydrophobicContact CG1-CB 4.46Å; V336-Q366 HydrophobicContact CG1-CG 4.28Å
367	P	95.9	Very high	96.6	Very high	115 Å²	115	55.5 Å²	55.5	75%	0.747	28%	0.277	S	S	*	.	S	Bend	cis	-66	153.1	1	30.3	-36.1	0	0	0	112.7	L365	L365-P367 CarbonylContact C-O 3.44Å; L365-P367 WeakPolarHBondContact CB-O 3.38Å; L365-P367 CarbonylContact O-C 3.54Å
368	T	98.5	Very high	96.8	Very high	18 Å²	18	61 Å²	61	11%	0.11	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-60.4	137	178.6	-57.3	0	0	0	0	110.9	L365 R370 F413 I415	L365-T368 PolarHBondContact O-N 3.38Å; T368-R370 PolarHBondContact O-N 3.44Å; T368-F413 HydrophobicContact CG2-CD1 3.55Å; T368-F413 HydrophobicContact CG2-CE1 3.43Å; T368-F413 VanDerWaalsContact CG2-CE1 3.43Å; T368-F413 HydrophobicContact CG2-CZ 4.32Å; T368-I415 HydrophobicContact CG2-CD1 3.91Å; T368-I415 HydrophobicContact CG2-CG1 3.91Å
369	L	98.6	Very high	97	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.131	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	125.4	176.2	-179.1	67.8	0	0	0	110.6	L365 L371 I405 Y409 T411 Y414 I415	L365-L369 HydrophobicContact CD1-CB 4.28Å; L369-L371 HydrophobicContact CD1-CD2 4.08Å; L369-L371 HydrophobicContact CD1-CG 4.5Å; L369-L371 HydrophobicContact CD2-CD1 4.37Å; L369-L371 HydrophobicContact CD2-CG 4.39Å; L369-L371 HydrophobicContact CG-CD2 4.36Å; L369-L371 HydrophobicContact CG-CG 4.24Å; L369-I405 HydrophobicContact CD2-CG2 3.7Å; L369-Y409 HydrophobicContact CD1-CD1 4.02Å; L369-Y409 HydrophobicContact CD1-CE1 4.11Å; L369-Y409 HydrophobicContact CD1-CG 4.31Å; L369-Y409 HydrophobicContact CD2-CD1 4.15Å; L369-Y409 HydrophobicContact CD2-CD2 3.53Å; L369-Y409 HydrophobicContact CD2-CE2 4.07Å; L369-Y409 HydrophobicContact CD2-CG 3.58Å; L369-T411 HydrophobicContact CB-CG2 4.34Å; L369-T411 HydrophobicContact CD2-CG2 3.94Å; L369-Y414 CarbonylContact O-C 3.57Å; L369-Y414 WeakPolarHBondContact O-CA 3.44Å; L369-I415 PolarHBondContact O-N 2.99Å
370	R	98.7	Very high	97.3	Very high	91 Å²	91	54.4 Å²	54.4	34%	0.343	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.2	173.9	-178.4	169	62.5	-150.5	-0	110	D329 T368 I415 D417	D329-R370 IonicContact OD1-CZ 3.22Å; D329-R370 IonicContact OD1-NH1 2.82Å; D329-R370 PolarHBondContact OD1-NH1 2.82Å; D329-R370 IonicContact OD1-NH2 2.73Å; T368-R370 PolarHBondContact O-N 3.44Å; R370-I415 WeakPolarHBondContact CA-O 3.22Å; R370-I415 HydrophobicContact CB-CB 4.21Å; R370-I415 HydrophobicContact CG-CB 4.14Å; R370-I415 HydrophobicContact CG-CG2 4.23Å; R370-D417 HydrophobicContact CG-CB 4.08Å
371	L	98.3	Very high	97.5	Very high	16 Å²	16	52.3 Å²	52.3	8%	0.084	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148.1	176.7	-58.3	177.4	0	0	0	109.9	L369 M379 I405 Y409 I415 L416 D417	L369-L371 HydrophobicContact CD1-CD2 4.08Å; L369-L371 HydrophobicContact CD1-CG 4.5Å; L369-L371 HydrophobicContact CD2-CD1 4.37Å; L369-L371 HydrophobicContact CD2-CG 4.39Å; L369-L371 HydrophobicContact CG-CD2 4.36Å; L369-L371 HydrophobicContact CG-CG 4.24Å; L371-M379 HydrophobicContact CD1-SD 4.09Å; L371-I405 HydrophobicContact CD1-CD1 3.75Å; L371-I405 HydrophobicContact CD1-CG1 4.01Å; L371-Y409 HydrophobicContact CD1-CE2 4.43Å; L371-I415 PolarHBondContact N-O 3.25Å; L371-L416 HydrophobicContact CB-CD2 3.98Å; L371-L416 CarbonylContact O-C 3.58Å; L371-L416 WeakPolarHBondContact O-CA 3.46Å; L371-D417 PolarHBondContact O-N 2.87Å
372	Q	97.7	Very high	97.6	Very high	62 Å²	62	54.8 Å²	54.8	29%	0.29	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	148.5	169.3	-58.8	-70.9	-39.6	0	0	109.3	R374 D375 A376 D417	Q372-R374 HydrophobicContact CB-CG 3.92Å; Q372-R374 PolarHBondContact O-N 3.36Å; Q372-D375 HydrophobicContact CB-CB 4.49Å; Q372-D375 WeakPolarHBondContact CB-OD2 3.19Å; Q372-D375 WeakPolarHBondContact O-CB 3.15Å; Q372-D375 PolarHBondContact O-N 2.76Å; Q372-A376 PolarHBondContact O-N 2.83Å; Q372-A376 VanDerWaalsContact O-N 3.11Å; Q372-D417 CarbonylContact C-O 3.56Å; Q372-D417 WeakPolarHBondContact CA-O 3.47Å
373	Y	97.9	Very high	97.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-53.5	-43.3	178	-172.3	-96.6	0	0	0	111.9	D375 A376 I377 D391 L393 D417 K418 F419 P420 Y437	Y373-D375 VanDerWaalsContact C-N 3.26Å; Y373-D375 PolarHBondContact O-N 3.24Å; Y373-A376 WeakPolarHBondContact O-CB 3.4Å; Y373-A376 PolarHBondContact O-N 3.39Å; Y373-A376 VanDerWaalsContact O-N 3.15Å; Y373-I377 HydrophobicContact CD1-CG1 3.78Å; Y373-I377 HydrophobicContact CE1-CD1 3.75Å; Y373-I377 HydrophobicContact CE1-CG1 3.42Å; Y373-I377 VanDerWaalsContact CE1-CG1 3.42Å; Y373-I377 WeakPolarHBondContact O-CG1 3.48Å; Y373-I377 PolarHBondContact O-N 2.99Å; Y373-D391 PolarHBondContact OH-O 3.13Å; Y373-L393 HydrophobicContact CE2-CD1 3.94Å; Y373-L393 HydrophobicContact CE2-CD2 4.49Å; Y373-L393 HydrophobicContact CE2-CG 3.82Å; Y373-L393 WeakPolarHBondContact OH-CG 3.26Å; Y373-D417 PolarHBondContact N-O 3.08Å; Y373-K418 WeakPolarHBondContact CB-O 3.36Å; Y373-F419 HydrophobicContact CD2-CB 4.36Å; Y373-F419 AromaticContact CD2-CD1 3.38Å; Y373-F419 HydrophobicContact CD2-CD1 3.38Å; Y373-F419 HydrophobicContact CD2-CD2 4.08Å; Y373-F419 AromaticContact CD2-CE1 3.6Å; Y373-F419 HydrophobicContact CD2-CE1 3.6Å; Y373-F419 HydrophobicContact CD2-CE2 4.28Å; Y373-F419 AromaticContact CD2-CG 3.64Å; Y373-F419 HydrophobicContact CD2-CG 3.64Å; Y373-F419 HydrophobicContact CD2-CZ 4.05Å; Y373-F419 AromaticContact CE2-CD1 3.36Å; Y373-F419 HydrophobicContact CE2-CD1 3.36Å; Y373-F419 AromaticContact CE2-CE1 3.47Å; Y373-F419 HydrophobicContact CE2-CE1 3.47Å; Y373-F419 VanDerWaalsContact CE2-CE1 3.47Å; Y373-F419 HydrophobicContact CE2-CG 4.1Å; Y373-F419 HydrophobicContact CE2-CZ 4.28Å; Y373-F419 HydrophobicContact CG-CD1 4.41Å; Y373-F419 HydrophobicContact CG-CG 4.37Å; Y373-P420 HydrophobicContact CD1-CG 3.89Å; Y373-P420 HydrophobicContact CE1-CG 3.6Å; Y373-Y437 HydrophobicContact CD1-CE1 4.24Å
374	R	96.8	Very high	97.5	Very high	67 Å²	67	55.9 Å²	55.9	25%	0.253	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-34.7	175.8	66.4	-177.8	51	166.4	-2.6	113.8	Q372 R378 D434	Q372-R374 HydrophobicContact CB-CG 3.92Å; Q372-R374 PolarHBondContact O-N 3.36Å; R374-R378 VanDerWaalsContact O-CG 3.3Å; R374-R378 WeakPolarHBondContact O-CG 3.43Å; R374-R378 PolarHBondContact O-N 2.88Å; R374-D434 IonicContact CZ-OD2 2.65Å; R374-D434 VanDerWaalsContact CZ-OD2 3.28Å; R374-D434 IonicContact NH1-OD2 3.2Å; R374-D434 PolarHBondContact NH1-OD2 2.95Å; R374-D434 VanDerWaalsContact NH1-OD2 3.1Å; R374-D434 VanDerWaalsContact NH2-CG 3.26Å; R374-D434 IonicContact NH2-OD1 2.67Å; R374-D434 PolarHBondContact NH2-OD1 3.27Å; R374-D434 IonicContact NH2-OD2 3.71Å; R374-D434 PolarHBondContact NH2-OD2 3.42Å
375	D	97.2	Very high	97.4	Very high	62 Å²	62	57.6 Å²	57.6	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-74.2	-36.9	179.5	-61.6	-34.7	0	0	0	109.9	Q372 Y373 R378 M379	Q372-D375 HydrophobicContact CB-CB 4.49Å; Q372-D375 WeakPolarHBondContact CB-OD2 3.19Å; Q372-D375 WeakPolarHBondContact O-CB 3.15Å; Q372-D375 PolarHBondContact O-N 2.76Å; Y373-D375 VanDerWaalsContact C-N 3.26Å; Y373-D375 PolarHBondContact O-N 3.24Å; D375-R378 PolarHBondContact O-N 3.28Å; D375-M379 WeakPolarHBondContact O-CG 3.1Å; D375-M379 PolarHBondContact O-N 3.44Å
376	A	97.6	Very high	97.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-42.6	171.4	0	0	0	0	0	112.7	Q372 Y373 M379 L380 L401 L416	Q372-A376 PolarHBondContact O-N 2.83Å; Q372-A376 VanDerWaalsContact O-N 3.11Å; Y373-A376 WeakPolarHBondContact O-CB 3.4Å; Y373-A376 PolarHBondContact O-N 3.39Å; Y373-A376 VanDerWaalsContact O-N 3.15Å; A376-M379 WeakPolarHBondContact O-CB 3.07Å; A376-M379 PolarHBondContact O-N 3.4Å; A376-L380 PolarHBondContact O-N 2.98Å; A376-L380 VanDerWaalsContact O-N 3.08Å; A376-L401 HydrophobicContact CB-CD1 4.06Å; A376-L401 HydrophobicContact CB-CD2 3.61Å; A376-L401 HydrophobicContact CB-CG 4.48Å; A376-L416 HydrophobicContact CB-CD1 4.22Å; A376-L416 HydrophobicContact CB-CD2 3.76Å
377	I	97.6	Very high	97.2	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-44.9	173.2	-68.9	-63.6	0	0	0	110.9	Y373 M379 L380 Q381 I387 L393	Y373-I377 HydrophobicContact CD1-CG1 3.78Å; Y373-I377 HydrophobicContact CE1-CD1 3.75Å; Y373-I377 HydrophobicContact CE1-CG1 3.42Å; Y373-I377 VanDerWaalsContact CE1-CG1 3.42Å; Y373-I377 WeakPolarHBondContact O-CG1 3.48Å; Y373-I377 PolarHBondContact O-N 2.99Å; I377-M379 VanDerWaalsContact C-N 3.33Å; I377-M379 PolarHBondContact O-N 3.47Å; I377-L380 WeakPolarHBondContact O-CB 3.36Å; I377-L380 PolarHBondContact O-N 3.17Å; I377-L380 VanDerWaalsContact O-N 3.13Å; I377-Q381 HydrophobicContact CG2-CG 4.17Å; I377-Q381 VanDerWaalsContact O-CG 3.32Å; I377-Q381 WeakPolarHBondContact O-CG 3.29Å; I377-Q381 PolarHBondContact O-N 3.22Å; I377-I387 HydrophobicContact CD1-CD1 3.69Å; I377-I387 HydrophobicContact CD1-CG1 3.95Å; I377-I387 HydrophobicContact CD1-CG2 4.09Å; I377-I387 HydrophobicContact CG2-CG2 4.27Å; I377-L393 HydrophobicContact CD1-CD2 3.86Å
378	R	97.5	Very high	97.2	Very high	136 Å²	136	55.4 Å²	55.4	51%	0.513	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-42.2	175.3	-75.3	172.6	-177	174.7	-0	112.3	R374 D375 L380 Q381 D382	R374-R378 VanDerWaalsContact O-CG 3.3Å; R374-R378 WeakPolarHBondContact O-CG 3.43Å; R374-R378 PolarHBondContact O-N 2.88Å; D375-R378 PolarHBondContact O-N 3.28Å; R378-L380 VanDerWaalsContact C-N 3.28Å; R378-L380 PolarHBondContact O-N 3.05Å; R378-Q381 PolarHBondContact O-N 3.33Å; R378-D382 WeakPolarHBondContact O-CB 3.24Å; R378-D382 PolarHBondContact O-N 2.49Å
379	M	97.8	Very high	96.9	Very high	25 Å²	25	59.5 Å²	59.5	12%	0.123	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-39.4	174.8	-73.7	177.3	61.2	0	0	112.5	L371 D375 A376 I377 A383 L401 L404 I405	L371-M379 HydrophobicContact CD1-SD 4.09Å; D375-M379 WeakPolarHBondContact O-CG 3.1Å; D375-M379 PolarHBondContact O-N 3.44Å; A376-M379 WeakPolarHBondContact O-CB 3.07Å; A376-M379 PolarHBondContact O-N 3.4Å; I377-M379 VanDerWaalsContact C-N 3.33Å; I377-M379 PolarHBondContact O-N 3.47Å; M379-A383 WeakPolarHBondContact O-CB 3.32Å; M379-A383 PolarHBondContact O-N 2.91Å; M379-L401 HydrophobicContact CB-CD1 4.15Å; M379-L401 HydrophobicContact CE-CD1 4.23Å; M379-L401 HydrophobicContact SD-CD1 4.42Å; M379-L404 HydrophobicContact CB-CD1 4.3Å; M379-L404 HydrophobicContact CE-CB 3.78Å; M379-I405 HydrophobicContact CE-CG1 3.83Å
380	L	97.9	Very high	96.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-69.3	-44.1	175.7	-72.9	171.3	0	0	0	112	A376 I377 R378 A383 G384 W385 I387 L393 A397 F400 L401	A376-L380 PolarHBondContact O-N 2.98Å; A376-L380 VanDerWaalsContact O-N 3.08Å; I377-L380 WeakPolarHBondContact O-CB 3.36Å; I377-L380 PolarHBondContact O-N 3.17Å; I377-L380 VanDerWaalsContact O-N 3.13Å; R378-L380 VanDerWaalsContact C-N 3.28Å; R378-L380 PolarHBondContact O-N 3.05Å; L380-A383 CarbonylContact O-C 3.51Å; L380-A383 WeakPolarHBondContact O-CA 3.19Å; L380-A383 PolarHBondContact O-N 2.85Å; L380-A383 VanDerWaalsContact O-N 3.13Å; L380-G384 PolarHBondContact O-N 3.16Å; L380-W385 HydrophobicContact CB-CB 4.09Å; L380-W385 HydrophobicContact CB-CG 4.32Å; L380-W385 HydrophobicContact CD2-CD2 4.49Å; L380-W385 HydrophobicContact CD2-CG 4.23Å; L380-W385 WeakPolarHBondContact O-CB 3.29Å; L380-W385 PolarHBondContact O-N 3.39Å; L380-I387 HydrophobicContact CB-CG2 4.15Å; L380-L393 HydrophobicContact CD1-CD2 3.62Å; L380-A397 HydrophobicContact CD1-CB 4.15Å; L380-F400 HydrophobicContact CD2-CD1 3.84Å; L380-L401 HydrophobicContact CD1-CB 4.47Å; L380-L401 HydrophobicContact CD2-CB 4.04Å; L380-L401 HydrophobicContact CG-CB 4.33Å; L380-L401 HydrophobicContact CG-CD1 4.42Å
381	Q	97.3	Very high	96.5	Very high	82 Å²	82	62 Å²	62	38%	0.383	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-43.5	177.4	-71.7	171.9	-17	0	0	111.8	I377 R378 A383 G384 I387	I377-Q381 HydrophobicContact CG2-CG 4.17Å; I377-Q381 VanDerWaalsContact O-CG 3.32Å; I377-Q381 WeakPolarHBondContact O-CG 3.29Å; I377-Q381 PolarHBondContact O-N 3.22Å; R378-Q381 PolarHBondContact O-N 3.33Å; Q381-A383 PolarHBondContact O-N 2.89Å; Q381-G384 PolarHBondContact O-N 3.15Å; Q381-I387 HydrophobicContact CG-CG2 4.22Å; Q381-I387 PolarHBondContact NE2-O 2.62Å
382	D	97.2	Very high	96.3	Very high	145 Å²	145	65.9 Å²	65.9	78%	0.775	34%	0.343	S	S	*	.	H	α-helix	trans	-61.8	-27.8	175.3	-71.2	-17	0	0	0	111.8	R378 G384	R378-D382 WeakPolarHBondContact O-CB 3.24Å; R378-D382 PolarHBondContact O-N 2.49Å; D382-G384 VanDerWaalsContact C-N 3.33Å
383	A	96.7	Very high	96.1	Very high	45 Å²	45	63.3 Å²	63.3	37%	0.372	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	7.4	174.2	0	0	0	0	0	114	M379 L380 Q381 F400 L404	M379-A383 WeakPolarHBondContact O-CB 3.32Å; M379-A383 PolarHBondContact O-N 2.91Å; L380-A383 CarbonylContact O-C 3.51Å; L380-A383 WeakPolarHBondContact O-CA 3.19Å; L380-A383 PolarHBondContact O-N 2.85Å; L380-A383 VanDerWaalsContact O-N 3.13Å; Q381-A383 PolarHBondContact O-N 2.89Å; A383-F400 HydrophobicContact CB-CE1 3.61Å; A383-F400 HydrophobicContact CB-CZ 4.19Å; A383-L404 HydrophobicContact CB-CD1 4.05Å; A383-L404 HydrophobicContact CB-CD2 4.48Å
384	G	96.5	Very high	95.8	Very high	64 Å²	64	67.2 Å²	67.2	66%	0.66	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	13.3	173	0	0	0	0	0	115.9	L380 Q381 D382	L380-G384 PolarHBondContact O-N 3.16Å; Q381-G384 PolarHBondContact O-N 3.15Å; D382-G384 VanDerWaalsContact C-N 3.33Å
385	W	96.3	Very high	95.5	Very high	75 Å²	75	65.9 Å²	65.9	28%	0.284	35%	0.352	S	S	.	.			trans	-79.2	131.7	173.7	-73.5	72.7	0	0	0	111.9	L380 I387 P396 A397 F400	L380-W385 HydrophobicContact CB-CB 4.09Å; L380-W385 HydrophobicContact CB-CG 4.32Å; L380-W385 HydrophobicContact CD2-CD2 4.49Å; L380-W385 HydrophobicContact CD2-CG 4.23Å; L380-W385 WeakPolarHBondContact O-CB 3.29Å; L380-W385 PolarHBondContact O-N 3.39Å; W385-I387 HydrophobicContact CB-CG2 4.32Å; W385-I387 PolarHBondContact O-N 2.91Å; W385-P396 HydrophobicContact CH2-CB 3.76Å; W385-P396 HydrophobicContact CZ3-CB 4.38Å; W385-A397 HydrophobicContact CE3-CB 4.11Å; W385-A397 HydrophobicContact CH2-CB 4.29Å; W385-A397 HydrophobicContact CZ3-CB 3.89Å; W385-F400 AromaticContact CD1-CD1 3.91Å; W385-F400 AromaticContact CD1-CE1 3.95Å; W385-F400 AromaticContact CE2-CD1 3.96Å; W385-F400 HydrophobicContact CZ2-CB 3.81Å; W385-F400 HydrophobicContact CZ2-CD1 4.38Å; W385-F400 AromaticContact CZ2-CG 3.99Å; W385-F400 HydrophobicContact CZ2-CG 3.99Å; W385-F400 AromaticContact NE1-CD1 3.14Å; W385-F400 AromaticContact NE1-CE1 3.41Å; W385-F400 AromaticContact NE1-CG 3.58Å
386	E	95.4	Very high	95.4	Very high	204 Å²	204	66.9 Å²	66.9	95%	0.953	36%	0.362	S	S	*	.			trans	-82.3	90.6	168	-65.3	-176.7	176.4	0	0	109.5
387	I	94.2	Very high	95.3	Very high	17 Å²	17	66.9 Å²	66.9	9%	0.087	36%	0.362	C	S	.	.			trans	-138.4	132.5	177.3	-170.9	168	0	0	0	110.3	I377 L380 Q381 W385 D391 L393	I377-I387 HydrophobicContact CD1-CD1 3.69Å; I377-I387 HydrophobicContact CD1-CG1 3.95Å; I377-I387 HydrophobicContact CD1-CG2 4.09Å; I377-I387 HydrophobicContact CG2-CG2 4.27Å; L380-I387 HydrophobicContact CB-CG2 4.15Å; Q381-I387 HydrophobicContact CG-CG2 4.22Å; Q381-I387 PolarHBondContact NE2-O 2.62Å; W385-I387 HydrophobicContact CB-CG2 4.32Å; W385-I387 PolarHBondContact O-N 2.91Å; I387-D391 HydrophobicContact CG1-CB 3.86Å; I387-L393 HydrophobicContact CD1-CD2 3.76Å
388	G	94.6	Very high	95.2	Very high	26 Å²	26	67.5 Å²	67.5	27%	0.268	36%	0.364	S	S	.	.			trans	-73.4	159.3	178.5	0	0	0	0	0	113.1	L390 D391	G388-L390 PolarHBondContact O-N 2.96Å; G388-D391 WeakPolarHBondContact CA-OD2 3.27Å; G388-D391 PolarHBondContact N-OD2 2.76Å; G388-D391 PolarHBondContact O-N 2.81Å
389	E	93.1	Very high	95.1	Very high	104 Å²	104	64.3 Å²	64.3	49%	0.486	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.9	-178.2	-179.9	170.4	-166.7	0	0	113.9	Y437	E389-Y437 WeakPolarHBondContact CG-OH 3.01Å; E389-Y437 PolarHBondContact OE1-OH 3.07Å
390	L	94.5	Very high	95.1	Very high	81 Å²	81	66.6 Å²	66.6	42%	0.424	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	5	-177.9	-57.9	179.3	0	0	0	113.4	G388 P420 Y437	G388-L390 PolarHBondContact O-N 2.96Å; L390-P420 HydrophobicContact CB-CB 4.24Å; L390-P420 HydrophobicContact CB-CG 4.29Å; L390-P420 HydrophobicContact CD2-CB 4.05Å; L390-P420 HydrophobicContact CD2-CG 4.1Å; L390-Y437 HydrophobicContact CD2-CD2 4.47Å; L390-Y437 HydrophobicContact CD2-CE1 4.09Å; L390-Y437 HydrophobicContact CD2-CE2 3.96Å
391	D	94.5	Very high	95.1	Very high	87 Å²	87	66.6 Å²	66.6	47%	0.465	36%	0.364	S	S	.	.	S	Bend	trans	-69	158.4	176.7	-70	-8.4	0	0	0	110	Y373 I387 G388	Y373-D391 PolarHBondContact OH-O 3.13Å; I387-D391 HydrophobicContact CG1-CB 3.86Å; G388-D391 WeakPolarHBondContact CA-OD2 3.27Å; G388-D391 PolarHBondContact N-OD2 2.76Å; G388-D391 PolarHBondContact O-N 2.81Å
392	D	93.8	Very high	95.1	Very high	99 Å²	99	63 Å²	63	53%	0.529	35%	0.349	S	S	.	.			trans	-79.8	148.2	173.8	-168.6	16.9	0	0	0	111.6	N394 I423	D392-N394 PolarHBondContact O-N 3.09Å; D392-I423 HydrophobicContact CB-CD1 4.15Å; D392-I423 HydrophobicContact CB-CG2 4.13Å
393	L	93.6	Very high	95.2	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.037	34%	0.339	C	S	.	.			trans	-78.6	105.5	174.8	-67	-179.9	0	0	0	109.7	Y373 I377 L380 I387 A397 E398 L401 L416	Y373-L393 HydrophobicContact CE2-CD1 3.94Å; Y373-L393 HydrophobicContact CE2-CD2 4.49Å; Y373-L393 HydrophobicContact CE2-CG 3.82Å; Y373-L393 WeakPolarHBondContact OH-CG 3.26Å; I377-L393 HydrophobicContact CD1-CD2 3.86Å; L380-L393 HydrophobicContact CD1-CD2 3.62Å; I387-L393 HydrophobicContact CD1-CD2 3.76Å; L393-A397 HydrophobicContact CD2-CB 4.44Å; L393-E398 HydrophobicContact CB-CG 3.79Å; L393-L401 HydrophobicContact CD1-CD2 4.18Å; L393-L416 HydrophobicContact CD1-CD1 3.76Å
394	N	92	Very high	95.2	Very high	83 Å²	83	61.9 Å²	61.9	44%	0.444	33%	0.33	S	S	.	.			trans	-67.4	157.9	168.2	68.2	46.9	0	0	0	111.2	D392 P396 A397 E398	D392-N394 PolarHBondContact O-N 3.09Å; N394-P396 VanDerWaalsContact OD1-CD 3.27Å; N394-P396 WeakPolarHBondContact OD1-CD 3.39Å; N394-A397 WeakPolarHBondContact O-CA 3.34Å; N394-A397 WeakPolarHBondContact O-CB 3.47Å; N394-A397 PolarHBondContact O-N 2.95Å; N394-A397 WeakPolarHBondContact OD1-CB 3.38Å; N394-A397 PolarHBondContact OD1-N 2.84Å; N394-E398 WeakPolarHBondContact O-CG 3.49Å; N394-E398 PolarHBondContact O-N 2.75Å
395	T	90.8	Very high	95.3	Very high	39 Å²	39	58.8 Å²	58.8	24%	0.239	30%	0.299	C	S	.	.	H	α-helix	trans	-56.3	-40.8	-175.2	-62.8	0	0	0	0	115.6	R306 A397 E398 K399	R306-T395 VanDerWaalsContact CZ-OG1 3.25Å; R306-T395 PolarHBondContact NH1-OG1 3.01Å; R306-T395 PolarHBondContact NH2-OG1 3.42Å; T395-A397 VanDerWaalsContact C-N 3.33Å; T395-A397 PolarHBondContact O-N 3.31Å; T395-E398 WeakPolarHBondContact CA-OE2 3.29Å; T395-E398 PolarHBondContact O-N 2.91Å; T395-E398 PolarHBondContact OG1-OE2 3.5Å; T395-K399 PolarHBondContact O-N 3.24Å; T395-K399 VanDerWaalsContact O-N 3.1Å
396	P	94.8	Very high	95.4	Very high	82 Å²	82	57.7 Å²	57.7	53%	0.532	30%	0.296	S	S	.	.	H	α-helix	trans	-56.3	-43.6	170.1	-29.5	36.7	0	0	0	113.8	W385 N394 F400	W385-P396 HydrophobicContact CH2-CB 3.76Å; W385-P396 HydrophobicContact CZ3-CB 4.38Å; N394-P396 VanDerWaalsContact OD1-CD 3.27Å; N394-P396 WeakPolarHBondContact OD1-CD 3.39Å; P396-F400 WeakPolarHBondContact O-CB 3.46Å; P396-F400 PolarHBondContact O-N 2.77Å
397	A	95.7	Very high	95.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-41.5	178.2	0	0	0	0	0	111.9	L380 W385 L393 N394 T395 F400 L401	L380-A397 HydrophobicContact CD1-CB 4.15Å; W385-A397 HydrophobicContact CE3-CB 4.11Å; W385-A397 HydrophobicContact CH2-CB 4.29Å; W385-A397 HydrophobicContact CZ3-CB 3.89Å; L393-A397 HydrophobicContact CD2-CB 4.44Å; N394-A397 WeakPolarHBondContact O-CA 3.34Å; N394-A397 WeakPolarHBondContact O-CB 3.47Å; N394-A397 PolarHBondContact O-N 2.95Å; N394-A397 WeakPolarHBondContact OD1-CB 3.38Å; N394-A397 PolarHBondContact OD1-N 2.84Å; T395-A397 VanDerWaalsContact C-N 3.33Å; T395-A397 PolarHBondContact O-N 3.31Å; A397-F400 PolarHBondContact O-N 2.92Å; A397-L401 VanDerWaalsContact O-CB 3.32Å; A397-L401 WeakPolarHBondContact O-CB 3.34Å; A397-L401 PolarHBondContact O-N 2.74Å
398	E	95.2	Very high	95.6	Very high	16 Å²	16	59.9 Å²	59.9	8%	0.075	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-51.5	174.8	-63.8	178.4	129	0	0	111.8	L393 N394 T395 F400 L401 G402 F444 G447	L393-E398 HydrophobicContact CB-CG 3.79Å; N394-E398 WeakPolarHBondContact O-CG 3.49Å; N394-E398 PolarHBondContact O-N 2.75Å; T395-E398 WeakPolarHBondContact CA-OE2 3.29Å; T395-E398 PolarHBondContact O-N 2.91Å; T395-E398 PolarHBondContact OG1-OE2 3.5Å; E398-F400 VanDerWaalsContact C-N 3.3Å; E398-F400 PolarHBondContact O-N 3.15Å; E398-L401 PolarHBondContact O-N 3.36Å; E398-G402 PolarHBondContact O-N 3.26Å; E398-F444 HydrophobicContact CB-CE1 4.39Å; E398-F444 HydrophobicContact CG-CE1 4.25Å; E398-G447 CarbonylContact C-O 3.46Å; E398-G447 VanDerWaalsContact C-O 3.31Å
399	K	95.3	Very high	95.8	Very high	70 Å²	70	62 Å²	62	30%	0.304	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-38.8	-179.6	-69.6	-166.2	-173.8	-142.7	0	111.6	T395 G402 K403 G447 E448	T395-K399 PolarHBondContact O-N 3.24Å; T395-K399 VanDerWaalsContact O-N 3.1Å; K399-G402 PolarHBondContact O-N 2.89Å; K399-K403 PolarHBondContact O-N 2.8Å; K399-G447 WeakPolarHBondContact CA-O 3.39Å; K399-G447 PolarHBondContact N-O 3.46Å; K399-E448 VanDerWaalsContact CE-OE1 3.29Å; K399-E448 WeakPolarHBondContact CE-OE1 3.32Å; K399-E448 HydrophobicContact CG-CG 4.33Å; K399-E448 IonicContact NZ-OE1 3.8Å; K399-E448 PolarHBondContact NZ-OE1 2.95Å
400	F	97.7	Very high	96	Very high	72 Å²	72	63 Å²	63	32%	0.316	31%	0.308	S	S	.	.	H	α-helix	trans	-69.6	-43.4	178.7	-169.9	-94.4	0	0	0	111.9	L380 A383 W385 P396 A397 E398 G402 K403 L404	L380-F400 HydrophobicContact CD2-CD1 3.84Å; A383-F400 HydrophobicContact CB-CE1 3.61Å; A383-F400 HydrophobicContact CB-CZ 4.19Å; W385-F400 AromaticContact CD1-CD1 3.91Å; W385-F400 AromaticContact CD1-CE1 3.95Å; W385-F400 AromaticContact CE2-CD1 3.96Å; W385-F400 HydrophobicContact CZ2-CB 3.81Å; W385-F400 HydrophobicContact CZ2-CD1 4.38Å; W385-F400 AromaticContact CZ2-CG 3.99Å; W385-F400 HydrophobicContact CZ2-CG 3.99Å; W385-F400 AromaticContact NE1-CD1 3.14Å; W385-F400 AromaticContact NE1-CE1 3.41Å; W385-F400 AromaticContact NE1-CG 3.58Å; P396-F400 WeakPolarHBondContact O-CB 3.46Å; P396-F400 PolarHBondContact O-N 2.77Å; A397-F400 PolarHBondContact O-N 2.92Å; E398-F400 VanDerWaalsContact C-N 3.3Å; E398-F400 PolarHBondContact O-N 3.15Å; F400-G402 VanDerWaalsContact C-N 3.29Å; F400-G402 PolarHBondContact O-N 3.27Å; F400-K403 WeakPolarHBondContact O-CB 3.47Å; F400-K403 PolarHBondContact O-N 3.45Å; F400-K403 VanDerWaalsContact O-N 3.09Å; F400-L404 HydrophobicContact CD1-CD1 4.03Å; F400-L404 HydrophobicContact CD1-CG 4.17Å; F400-L404 HydrophobicContact CE1-CD1 3.8Å; F400-L404 HydrophobicContact CE1-CD2 4.02Å; F400-L404 HydrophobicContact CE1-CG 3.91Å; F400-L404 HydrophobicContact CZ-CD2 4.33Å; F400-L404 PolarHBondContact O-N 3.11Å
401	L	98.1	Very high	96.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57.6	-42.9	172.7	177.2	63.1	0	0	0	111.4	A376 M379 L380 L393 A397 E398 K403 L404 I405 L416	A376-L401 HydrophobicContact CB-CD1 4.06Å; A376-L401 HydrophobicContact CB-CD2 3.61Å; A376-L401 HydrophobicContact CB-CG 4.48Å; M379-L401 HydrophobicContact CB-CD1 4.15Å; M379-L401 HydrophobicContact CE-CD1 4.23Å; M379-L401 HydrophobicContact SD-CD1 4.42Å; L380-L401 HydrophobicContact CD1-CB 4.47Å; L380-L401 HydrophobicContact CD2-CB 4.04Å; L380-L401 HydrophobicContact CG-CB 4.33Å; L380-L401 HydrophobicContact CG-CD1 4.42Å; L393-L401 HydrophobicContact CD1-CD2 4.18Å; A397-L401 VanDerWaalsContact O-CB 3.32Å; A397-L401 WeakPolarHBondContact O-CB 3.34Å; A397-L401 PolarHBondContact O-N 2.74Å; E398-L401 PolarHBondContact O-N 3.36Å; L401-K403 VanDerWaalsContact C-N 3.28Å; L401-K403 PolarHBondContact O-N 3.27Å; L401-L404 PolarHBondContact O-N 3.15Å; L401-I405 HydrophobicContact CD1-CD1 3.98Å; L401-I405 HydrophobicContact CD1-CG1 4.25Å; L401-I405 HydrophobicContact CD2-CD1 4.47Å; L401-I405 HydrophobicContact CG-CD1 3.84Å; L401-I405 HydrophobicContact CG-CG1 4.48Å; L401-I405 WeakPolarHBondContact O-CG1 3.27Å; L401-I405 PolarHBondContact O-N 2.92Å; L401-L416 HydrophobicContact CD2-CD1 3.71Å; L401-L416 HydrophobicContact CD2-CD2 4.38Å
402	G	98	Very high	96.4	Very high	7 Å²	7	55.7 Å²	55.7	7%	0.072	27%	0.27	C	S	.	.	H	α-helix	trans	-57.6	-39.1	174.8	0	0	0	0	0	113.2	E398 K399 F400 I405 K406	E398-G402 PolarHBondContact O-N 3.26Å; K399-G402 PolarHBondContact O-N 2.89Å; F400-G402 VanDerWaalsContact C-N 3.29Å; F400-G402 PolarHBondContact O-N 3.27Å; G402-I405 PolarHBondContact O-N 3.29Å; G402-K406 WeakPolarHBondContact O-CB 3.1Å; G402-K406 PolarHBondContact O-N 2.83Å
403	K	97.7	Very high	96.6	Very high	132 Å²	132	51 Å²	51	57%	0.574	25%	0.245	S	C	*	.	H	α-helix	trans	-64.3	-47.4	173.5	-68.9	179.2	178.9	-174.4	0	112	K399 F400 L401 I405 K406 E407	K399-K403 PolarHBondContact O-N 2.8Å; F400-K403 WeakPolarHBondContact O-CB 3.47Å; F400-K403 PolarHBondContact O-N 3.45Å; F400-K403 VanDerWaalsContact O-N 3.09Å; L401-K403 VanDerWaalsContact C-N 3.28Å; L401-K403 PolarHBondContact O-N 3.27Å; K403-I405 VanDerWaalsContact C-N 3.27Å; K403-I405 PolarHBondContact O-N 3.23Å; K403-K406 PolarHBondContact O-N 2.88Å; K403-E407 WeakPolarHBondContact O-CB 3.16Å; K403-E407 WeakPolarHBondContact O-CG 3.46Å; K403-E407 PolarHBondContact O-N 2.84Å
404	L	98.1	Very high	96.9	Very high	34 Å²	34	50.7 Å²	50.7	18%	0.178	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-41.3	176.9	-64.6	177.9	0	0	0	111.7	M379 A383 F400 L401 K408	M379-L404 HydrophobicContact CB-CD1 4.3Å; M379-L404 HydrophobicContact CE-CB 3.78Å; A383-L404 HydrophobicContact CB-CD1 4.05Å; A383-L404 HydrophobicContact CB-CD2 4.48Å; F400-L404 HydrophobicContact CD1-CD1 4.03Å; F400-L404 HydrophobicContact CD1-CG 4.17Å; F400-L404 HydrophobicContact CE1-CD1 3.8Å; F400-L404 HydrophobicContact CE1-CD2 4.02Å; F400-L404 HydrophobicContact CE1-CG 3.91Å; F400-L404 HydrophobicContact CZ-CD2 4.33Å; F400-L404 PolarHBondContact O-N 3.11Å; L401-L404 PolarHBondContact O-N 3.15Å; L404-K408 WeakPolarHBondContact O-CB 3.48Å; L404-K408 PolarHBondContact O-N 3.46Å
405	I	98.2	Very high	97.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-43.7	177.7	-71.1	170.4	0	0	0	110.9	L369 L371 M379 L401 G402 K403 K408 Y409 T411 Y414	L369-I405 HydrophobicContact CD2-CG2 3.7Å; L371-I405 HydrophobicContact CD1-CD1 3.75Å; L371-I405 HydrophobicContact CD1-CG1 4.01Å; M379-I405 HydrophobicContact CE-CG1 3.83Å; L401-I405 HydrophobicContact CD1-CD1 3.98Å; L401-I405 HydrophobicContact CD1-CG1 4.25Å; L401-I405 HydrophobicContact CD2-CD1 4.47Å; L401-I405 HydrophobicContact CG-CD1 3.84Å; L401-I405 HydrophobicContact CG-CG1 4.48Å; L401-I405 WeakPolarHBondContact O-CG1 3.27Å; L401-I405 PolarHBondContact O-N 2.92Å; G402-I405 PolarHBondContact O-N 3.29Å; K403-I405 VanDerWaalsContact C-N 3.27Å; K403-I405 PolarHBondContact O-N 3.23Å; I405-K408 PolarHBondContact O-N 3.23Å; I405-Y409 HydrophobicContact CB-CD2 4.49Å; I405-Y409 HydrophobicContact CG2-CD2 4.11Å; I405-Y409 WeakPolarHBondContact O-CA 3.09Å; I405-Y409 WeakPolarHBondContact O-CB 3.21Å; I405-Y409 PolarHBondContact O-N 2.74Å; I405-T411 HydrophobicContact CG2-CG2 3.81Å; I405-Y414 HydrophobicContact CB-CD1 4.4Å; I405-Y414 HydrophobicContact CB-CE1 4.42Å; I405-Y414 HydrophobicContact CD1-CD1 3.98Å; I405-Y414 HydrophobicContact CD1-CD2 3.52Å; I405-Y414 HydrophobicContact CD1-CE1 3.83Å; I405-Y414 HydrophobicContact CD1-CE2 3.35Å; I405-Y414 HydrophobicContact CD1-CG 3.84Å; I405-Y414 HydrophobicContact CG2-CD1 3.76Å; I405-Y414 HydrophobicContact CG2-CE1 4.27Å; I405-Y414 HydrophobicContact CG2-CG 4.05Å
406	K	97.9	Very high	97.6	Very high	51 Å²	51	45 Å²	45	22%	0.222	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-44.8	175.9	179.1	64.8	175.1	-174.1	0	111.7	E363 G402 K403 H410 D412	E363-K406 IonicContact OE1-NZ 3.87Å; E363-K406 PolarHBondContact OE1-NZ 3.27Å; E363-K406 IonicContact OE2-NZ 3.83Å; E363-K406 PolarHBondContact OE2-NZ 2.82Å; G402-K406 WeakPolarHBondContact O-CB 3.1Å; G402-K406 PolarHBondContact O-N 2.83Å; K403-K406 PolarHBondContact O-N 2.88Å; K406-H410 WeakPolarHBondContact O-CA 3.37Å; K406-H410 PolarHBondContact O-N 3.32Å; K406-D412 IonicContact NZ-OD1 2.73Å; K406-D412 IonicContact NZ-OD2 3.79Å; K406-D412 PolarHBondContact NZ-OD2 3.06Å
407	E	97.3	Very high	97.7	Very high	141 Å²	141	41.1 Å²	41.1	66%	0.659	19%	0.186	S	C	*	.	H	α-helix	trans	-65	-40.3	178.2	-73.4	173	-171.1	0	0	112.4	K403	K403-E407 WeakPolarHBondContact O-CB 3.16Å; K403-E407 WeakPolarHBondContact O-CG 3.46Å; K403-E407 PolarHBondContact O-N 2.84Å
408	K	97.7	Very high	97.9	Very high	127 Å²	127	41.9 Å²	41.9	55%	0.552	19%	0.189	S	C	*	.	H	α-helix	trans	-84.2	-37.9	-175.1	-175.9	173.2	178	-172.8	0	114.2	L404 I405	L404-K408 WeakPolarHBondContact O-CB 3.48Å; L404-K408 PolarHBondContact O-N 3.46Å; I405-K408 PolarHBondContact O-N 3.23Å
409	Y	97.9	Very high	98	Very high	69 Å²	69	41.3 Å²	41.3	27%	0.271	19%	0.186	S	C	.	.	H	α-helix	trans	-117.9	-4.8	-170.2	-60.2	-78.9	0	0	0	113.7	L369 L371 I405 T411	L369-Y409 HydrophobicContact CD1-CD1 4.02Å; L369-Y409 HydrophobicContact CD1-CE1 4.11Å; L369-Y409 HydrophobicContact CD1-CG 4.31Å; L369-Y409 HydrophobicContact CD2-CD1 4.15Å; L369-Y409 HydrophobicContact CD2-CD2 3.53Å; L369-Y409 HydrophobicContact CD2-CE2 4.07Å; L369-Y409 HydrophobicContact CD2-CG 3.58Å; L371-Y409 HydrophobicContact CD1-CE2 4.43Å; I405-Y409 HydrophobicContact CB-CD2 4.49Å; I405-Y409 HydrophobicContact CG2-CD2 4.11Å; I405-Y409 WeakPolarHBondContact O-CA 3.09Å; I405-Y409 WeakPolarHBondContact O-CB 3.21Å; I405-Y409 PolarHBondContact O-N 2.74Å; Y409-T411 PolarHBondContact O-N 2.91Å
410	H	97.5	Very high	98.1	Very high	126 Å²	126	38 Å²	38	58%	0.583	17%	0.172	S	C	*	.			trans	54	49.8	-179.3	-54.1	-67.5	0	0	0	112.7	K406	K406-H410 WeakPolarHBondContact O-CA 3.37Å; K406-H410 PolarHBondContact O-N 3.32Å
411	T	98.5	Very high	98.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	16%	0.162	C	C	.	.			trans	-140.2	136.9	178.4	-169.4	0	0	0	0	111	F364 L365 L369 I405 Y409 F413	F364-T411 WeakPolarHBondContact CA-OG1 3.28Å; L365-T411 HydrophobicContact CD1-CG2 4.23Å; L369-T411 HydrophobicContact CB-CG2 4.34Å; L369-T411 HydrophobicContact CD2-CG2 3.94Å; I405-T411 HydrophobicContact CG2-CG2 3.81Å; Y409-T411 PolarHBondContact O-N 2.91Å; T411-F413 PolarHBondContact OG1-N 2.9Å; T411-F413 PolarHBondContact OG1-O 3.04Å
412	D	98.5	Very high	97.9	Very high	14 Å²	14	40.9 Å²	40.9	8%	0.075	19%	0.191	C	C	.	.	S	Bend	trans	-89.6	-10.3	169.3	-65.4	-73.3	0	0	0	111.7	F362 E363 K406 M445 R446	F362-D412 HydrophobicContact CD2-CB 3.88Å; F362-D412 HydrophobicContact CE2-CB 3.54Å; F362-D412 HydrophobicContact CG-CB 4.5Å; F362-D412 HydrophobicContact CZ-CB 3.9Å; E363-D412 PolarHBondContact N-OD2 3.29Å; E363-D412 WeakPolarHBondContact O-CA 3.5Å; E363-D412 WeakPolarHBondContact O-CB 3.47Å; E363-D412 PolarHBondContact O-N 3.39Å; K406-D412 IonicContact NZ-OD1 2.73Å; K406-D412 IonicContact NZ-OD2 3.79Å; K406-D412 PolarHBondContact NZ-OD2 3.06Å; D412-M445 CarbonylContact O-C 3.59Å; D412-M445 VanDerWaalsContact O-CA 3.25Å; D412-M445 WeakPolarHBondContact O-CA 3.3Å; D412-R446 HydrophobicContact CB-CG 4.07Å; D412-R446 PolarHBondContact O-N 2.9Å; D412-R446 IonicContact OD1-NH1 3.39Å; D412-R446 PolarHBondContact OD1-NH1 2.69Å; D412-R446 IonicContact OD2-NH1 3.1Å
413	F	98.8	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.6	-177.2	-177.1	-119.9	0	0	0	111.8	F335 F339 F362 F364 T368 T411 F443 F444 M445 I450	F335-F413 HydrophobicContact CB-CE1 3.72Å; F335-F413 HydrophobicContact CB-CE2 4.06Å; F335-F413 HydrophobicContact CB-CZ 3.29Å; F335-F413 HydrophobicContact CD1-CE2 4.33Å; F335-F413 HydrophobicContact CD1-CZ 4.33Å; F335-F413 HydrophobicContact CD2-CE2 4.03Å; F335-F413 AromaticContact CD2-CZ 3.57Å; F335-F413 HydrophobicContact CD2-CZ 3.57Å; F335-F413 HydrophobicContact CE2-CZ 4.46Å; F335-F413 HydrophobicContact CG-CE1 4.4Å; F335-F413 AromaticContact CG-CE2 3.9Å; F335-F413 HydrophobicContact CG-CE2 3.9Å; F335-F413 AromaticContact CG-CZ 3.49Å; F335-F413 HydrophobicContact CG-CZ 3.49Å; F335-F413 VanDerWaalsContact CG-CZ 3.49Å; F339-F413 HydrophobicContact CE2-CB 4.19Å; F339-F413 AromaticContact CE2-CD1 3.71Å; F339-F413 HydrophobicContact CE2-CD1 3.71Å; F339-F413 AromaticContact CE2-CD2 3.83Å; F339-F413 HydrophobicContact CE2-CD2 3.83Å; F339-F413 AromaticContact CE2-CE1 3.91Å; F339-F413 HydrophobicContact CE2-CE1 3.91Å; F339-F413 HydrophobicContact CE2-CE2 4.04Å; F339-F413 AromaticContact CE2-CG 3.65Å; F339-F413 HydrophobicContact CE2-CG 3.65Å; F339-F413 HydrophobicContact CE2-CZ 4.07Å; F339-F413 AromaticContact CZ-CD2 3.99Å; F339-F413 HydrophobicContact CZ-CD2 3.99Å; F339-F413 HydrophobicContact CZ-CE2 4.1Å; F339-F413 HydrophobicContact CZ-CG 4.26Å; F339-F413 HydrophobicContact CZ-CZ 4.46Å; F362-F413 HydrophobicContact CE1-CB 4.06Å; F362-F413 HydrophobicContact CZ-CB 3.93Å; F364-F413 HydrophobicContact CB-CB 3.92Å; F364-F413 HydrophobicContact CB-CD1 4.4Å; T368-F413 HydrophobicContact CG2-CD1 3.55Å; T368-F413 HydrophobicContact CG2-CE1 3.43Å; T368-F413 VanDerWaalsContact CG2-CE1 3.43Å; T368-F413 HydrophobicContact CG2-CZ 4.32Å; T411-F413 PolarHBondContact OG1-N 2.9Å; T411-F413 PolarHBondContact OG1-O 3.04Å; F413-F443 HydrophobicContact CE1-CD1 4.47Å; F413-F443 HydrophobicContact CE2-CB 4.29Å; F413-F443 AromaticContact CE2-CD1 3.7Å; F413-F443 HydrophobicContact CE2-CD1 3.7Å; F413-F443 AromaticContact CZ-CD1 3.45Å; F413-F443 HydrophobicContact CZ-CD1 3.45Å; F413-F443 VanDerWaalsContact CZ-CD1 3.45Å; F413-F443 AromaticContact CZ-CE1 3.92Å; F413-F443 HydrophobicContact CZ-CE1 3.92Å; F413-F444 WeakPolarHBondContact CA-O 3.46Å; F413-F444 WeakPolarHBondContact CD2-O 3.48Å; F413-M445 HydrophobicContact CD2-CG 3.95Å; F413-I450 HydrophobicContact CE2-CD1 4.07Å
414	Y	98.8	Very high	97.5	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	165.4	178.7	65.8	-86.9	0	0	0	112.2	L369 I405 L416 F444	L369-Y414 CarbonylContact O-C 3.57Å; L369-Y414 WeakPolarHBondContact O-CA 3.44Å; I405-Y414 HydrophobicContact CB-CD1 4.4Å; I405-Y414 HydrophobicContact CB-CE1 4.42Å; I405-Y414 HydrophobicContact CD1-CD1 3.98Å; I405-Y414 HydrophobicContact CD1-CD2 3.52Å; I405-Y414 HydrophobicContact CD1-CE1 3.83Å; I405-Y414 HydrophobicContact CD1-CE2 3.35Å; I405-Y414 HydrophobicContact CD1-CG 3.84Å; I405-Y414 HydrophobicContact CG2-CD1 3.76Å; I405-Y414 HydrophobicContact CG2-CE1 4.27Å; I405-Y414 HydrophobicContact CG2-CG 4.05Å; Y414-L416 HydrophobicContact CD2-CD2 3.92Å; Y414-L416 HydrophobicContact CD2-CG 4.11Å; Y414-L416 HydrophobicContact CE2-CD1 4.21Å; Y414-L416 HydrophobicContact CE2-CD2 3.78Å; Y414-L416 HydrophobicContact CE2-CG 3.74Å; Y414-F444 HydrophobicContact CD1-CB 3.98Å; Y414-F444 HydrophobicContact CD2-CB 4.19Å; Y414-F444 HydrophobicContact CD2-CD2 4.11Å; Y414-F444 HydrophobicContact CD2-CG 4.42Å; Y414-F444 HydrophobicContact CE1-CB 3.49Å; Y414-F444 VanDerWaalsContact CE1-CB 3.49Å; Y414-F444 HydrophobicContact CE1-CG 4.22Å; Y414-F444 HydrophobicContact CE2-CB 3.71Å; Y414-F444 AromaticContact CE2-CD2 3.52Å; Y414-F444 HydrophobicContact CE2-CD2 3.52Å; Y414-F444 HydrophobicContact CE2-CE2 4.31Å; Y414-F444 AromaticContact CE2-CG 3.65Å; Y414-F444 HydrophobicContact CE2-CG 3.65Å; Y414-F444 HydrophobicContact CG-CB 4.31Å; Y414-F444 AromaticContact CZ-CD2 3.93Å; Y414-F444 AromaticContact CZ-CG 3.53Å; Y414-F444 PolarHBondContact N-O 3.48Å; Y414-F444 PolarHBondContact O-N 3.43Å; Y414-F444 WeakPolarHBondContact OH-CG 3.42Å
415	I	98.8	Very high	97.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130	178.9	-51.2	169.8	0	0	0	108.3	V328 A332 T368 L369 R370 L371 D442 F443	V328-I415 HydrophobicContact CG1-CD1 3.94Å; V328-I415 HydrophobicContact CG1-CG2 4.32Å; A332-I415 HydrophobicContact CB-CD1 3.9Å; T368-I415 HydrophobicContact CG2-CD1 3.91Å; T368-I415 HydrophobicContact CG2-CG1 3.91Å; L369-I415 PolarHBondContact O-N 2.99Å; R370-I415 WeakPolarHBondContact CA-O 3.22Å; R370-I415 HydrophobicContact CB-CB 4.21Å; R370-I415 HydrophobicContact CG-CB 4.14Å; R370-I415 HydrophobicContact CG-CG2 4.23Å; L371-I415 PolarHBondContact N-O 3.25Å; I415-D442 WeakPolarHBondContact CA-O 3.32Å; I415-F443 HydrophobicContact CD1-CD1 4.19Å; I415-F443 HydrophobicContact CD1-CE1 3.45Å; I415-F443 VanDerWaalsContact CD1-CE1 3.45Å; I415-F443 HydrophobicContact CD1-CE2 4.34Å; I415-F443 HydrophobicContact CD1-CZ 3.54Å; I415-F443 HydrophobicContact CG1-CD1 3.66Å; I415-F443 HydrophobicContact CG1-CD2 4.45Å; I415-F443 HydrophobicContact CG1-CE1 3.47Å; I415-F443 VanDerWaalsContact CG1-CE1 3.47Å; I415-F443 HydrophobicContact CG1-CE2 4.27Å; I415-F443 HydrophobicContact CG1-CG 4.17Å; I415-F443 HydrophobicContact CG1-CZ 3.79Å; I415-F443 HydrophobicContact CG2-CD2 4.4Å; I415-F443 HydrophobicContact CG2-CE2 4.2Å; I415-F443 HydrophobicContact CG2-CZ 4.43Å
416	L	98.5	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129	160.6	-60.8	-174.9	0	0	0	108.1	L371 A376 L393 L401 Y414 F419 Y441 D442 F444	L371-L416 HydrophobicContact CB-CD2 3.98Å; L371-L416 CarbonylContact O-C 3.58Å; L371-L416 WeakPolarHBondContact O-CA 3.46Å; A376-L416 HydrophobicContact CB-CD1 4.22Å; A376-L416 HydrophobicContact CB-CD2 3.76Å; L393-L416 HydrophobicContact CD1-CD1 3.76Å; L401-L416 HydrophobicContact CD2-CD1 3.71Å; L401-L416 HydrophobicContact CD2-CD2 4.38Å; Y414-L416 HydrophobicContact CD2-CD2 3.92Å; Y414-L416 HydrophobicContact CD2-CG 4.11Å; Y414-L416 HydrophobicContact CE2-CD1 4.21Å; Y414-L416 HydrophobicContact CE2-CD2 3.78Å; Y414-L416 HydrophobicContact CE2-CG 3.74Å; L416-F419 HydrophobicContact CB-CE2 3.48Å; L416-F419 VanDerWaalsContact CB-CE2 3.48Å; L416-F419 HydrophobicContact CB-CZ 3.71Å; L416-F419 HydrophobicContact CD1-CZ 4.13Å; L416-F419 WeakPolarHBondContact O-CE2 3.43Å; L416-Y441 CarbonylContact O-C 3.57Å; L416-Y441 WeakPolarHBondContact O-CA 3.42Å; L416-Y441 WeakPolarHBondContact O-CB 3.33Å; L416-D442 PolarHBondContact N-O 3.14Å; L416-D442 PolarHBondContact O-N 2.96Å; L416-F444 HydrophobicContact CB-CE2 3.96Å; L416-F444 HydrophobicContact CD1-CD2 4.25Å; L416-F444 HydrophobicContact CD1-CE2 3.54Å; L416-F444 HydrophobicContact CD1-CZ 3.91Å; L416-F444 HydrophobicContact CG-CD2 4.01Å; L416-F444 HydrophobicContact CG-CE2 3.62Å; L416-F444 HydrophobicContact CG-CZ 4.48Å
417	D	98.5	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	157.6	-178.2	-170.1	23	0	0	0	110.3	Y324 H325 R370 L371 Q372 Y373	Y324-D417 PolarHBondContact OH-OD1 3.37Å; Y324-D417 PolarHBondContact OH-OD2 2.86Å; H325-D417 IonicContact CD2-OD2 3.94Å; H325-D417 IonicContact CE1-OD2 3.51Å; H325-D417 IonicContact NE2-OD2 3.89Å; H325-D417 PolarHBondContact NE2-OD2 2.88Å; R370-D417 HydrophobicContact CG-CB 4.08Å; L371-D417 PolarHBondContact O-N 2.87Å; Q372-D417 CarbonylContact C-O 3.56Å; Q372-D417 WeakPolarHBondContact CA-O 3.47Å; Y373-D417 PolarHBondContact N-O 3.08Å
418	K	98.3	Very high	97	Very high	17 Å²	17	31.1 Å²	31.1	7%	0.074	15%	0.151	C	C	.	.			trans	59.1	58.7	-179.1	-52.4	-55	-164.2	-173.8	0	114.2	Y324 Y373 H431 Y437 S438 N439 S440	Y324-K418 VanDerWaalsContact OH-CD 3.3Å; Y324-K418 WeakPolarHBondContact OH-CD 3.13Å; Y324-K418 WeakPolarHBondContact OH-CE 3.09Å; Y324-K418 PolarHBondContact OH-NZ 2.86Å; Y373-K418 WeakPolarHBondContact CB-O 3.36Å; K418-H431 VanDerWaalsContact CE-CD2 3.49Å; K418-H431 WeakPolarHBondContact CE-CD2 3.34Å; K418-H431 WeakPolarHBondContact CE-NE2 3.42Å; K418-H431 PolarHBondContact NZ-CD2 3.29Å; K418-H431 PolarHBondContact NZ-NE2 2.67Å; K418-Y437 WeakPolarHBondContact O-CD1 3.42Å; K418-Y437 WeakPolarHBondContact O-CE1 3.36Å; K418-S438 WeakPolarHBondContact CA-O 3.19Å; K418-S438 WeakPolarHBondContact CD-O 3.17Å; K418-N439 PolarHBondContact NZ-OD1 2.91Å; K418-S440 PolarHBondContact N-O 2.97Å
419	F	98.4	Very high	97.1	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.013	13%	0.13	C	C	.	.			trans	-67.8	160.6	171	-78	-113.6	0	0	0	112.6	Y373 L416 I423 R424 S438 S440 D442 F444	Y373-F419 HydrophobicContact CD2-CB 4.36Å; Y373-F419 AromaticContact CD2-CD1 3.38Å; Y373-F419 HydrophobicContact CD2-CD1 3.38Å; Y373-F419 HydrophobicContact CD2-CD2 4.08Å; Y373-F419 AromaticContact CD2-CE1 3.6Å; Y373-F419 HydrophobicContact CD2-CE1 3.6Å; Y373-F419 HydrophobicContact CD2-CE2 4.28Å; Y373-F419 AromaticContact CD2-CG 3.64Å; Y373-F419 HydrophobicContact CD2-CG 3.64Å; Y373-F419 HydrophobicContact CD2-CZ 4.05Å; Y373-F419 AromaticContact CE2-CD1 3.36Å; Y373-F419 HydrophobicContact CE2-CD1 3.36Å; Y373-F419 AromaticContact CE2-CE1 3.47Å; Y373-F419 HydrophobicContact CE2-CE1 3.47Å; Y373-F419 VanDerWaalsContact CE2-CE1 3.47Å; Y373-F419 HydrophobicContact CE2-CG 4.1Å; Y373-F419 HydrophobicContact CE2-CZ 4.28Å; Y373-F419 HydrophobicContact CG-CD1 4.41Å; Y373-F419 HydrophobicContact CG-CG 4.37Å; L416-F419 HydrophobicContact CB-CE2 3.48Å; L416-F419 VanDerWaalsContact CB-CE2 3.48Å; L416-F419 HydrophobicContact CB-CZ 3.71Å; L416-F419 HydrophobicContact CD1-CZ 4.13Å; L416-F419 WeakPolarHBondContact O-CE2 3.43Å; F419-I423 HydrophobicContact CD1-CD1 4.19Å; F419-R424 HydrophobicContact CB-CG 4.45Å; F419-R424 VanDerWaalsContact CB-NE 3.3Å; F419-R424 VanDerWaalsContact CD1-NH2 3.35Å; F419-R424 VanDerWaalsContact CG-CZ 3.45Å; F419-S438 PolarHBondContact O-N 2.89Å; F419-S438 PolarHBondContact O-OG 3.31Å; F419-S440 WeakPolarHBondContact CB-OG 3.14Å; F419-S440 PolarHBondContact N-O 3.38Å; F419-D442 WeakPolarHBondContact CE1-OD2 3.44Å; F419-D442 HydrophobicContact CE2-CB 3.82Å; F419-D442 HydrophobicContact CZ-CB 3.69Å; F419-D442 WeakPolarHBondContact CZ-OD2 3.39Å; F419-F444 HydrophobicContact CZ-CE2 4.34Å; F419-F444 HydrophobicContact CZ-CZ 4.42Å
420	P	97.8	Very high	97.1	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.013	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-58.1	138.8	171.6	-23.6	34.4	0	0	0	111.9	Y373 L390 D422 I423 R424 G436 Y437	Y373-P420 HydrophobicContact CD1-CG 3.89Å; Y373-P420 HydrophobicContact CE1-CG 3.6Å; L390-P420 HydrophobicContact CB-CB 4.24Å; L390-P420 HydrophobicContact CB-CG 4.29Å; L390-P420 HydrophobicContact CD2-CB 4.05Å; L390-P420 HydrophobicContact CD2-CG 4.1Å; P420-D422 PolarHBondContact O-N 2.76Å; P420-I423 HydrophobicContact CB-CD1 4.3Å; P420-I423 HydrophobicContact CB-CG1 4.16Å; P420-I423 HydrophobicContact CG-CD1 4.17Å; P420-I423 VanDerWaalsContact O-CG1 3.29Å; P420-I423 WeakPolarHBondContact O-CG1 3.37Å; P420-R424 WeakPolarHBondContact O-CG 3.25Å; P420-G436 CarbonylContact C-O 3.5Å; P420-G436 VanDerWaalsContact CA-O 3.25Å; P420-G436 WeakPolarHBondContact CA-O 3.45Å; P420-Y437 HydrophobicContact CG-CE1 4.45Å
421	L	96.9	Very high	97.1	Very high	18 Å²	18	20.5 Å²	20.5	9%	0.094	11%	0.109	C	C	.	.	S	Bend	trans	-68.7	-32.8	-175	175	63.7	0	0	0	113	I423 R424 P430 G436	L421-I423 VanDerWaalsContact C-N 3.33Å; L421-I423 PolarHBondContact O-N 2.86Å; L421-R424 PolarHBondContact O-N 3.08Å; L421-P430 HydrophobicContact CD1-CB 4.46Å; L421-P430 HydrophobicContact CD1-CG 4.2Å; L421-P430 HydrophobicContact CD2-CB 3.9Å; L421-P430 HydrophobicContact CD2-CG 3.93Å; L421-G436 PolarHBondContact N-O 3.11Å
422	D	93.7	Very high	97	Very high	113 Å²	113	25.6 Å²	25.6	60%	0.604	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-22.2	-171.3	-71	-15.1	0	0	0	113.2	P420 R424	P420-D422 PolarHBondContact O-N 2.76Å; D422-R424 VanDerWaalsContact C-N 3.32Å
423	I	93.2	Very high	96.9	Very high	60 Å²	60	30.7 Å²	30.7	31%	0.308	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-1	175.9	69.1	172.6	0	0	0	112.5	D392 F419 P420 L421	D392-I423 HydrophobicContact CB-CD1 4.15Å; D392-I423 HydrophobicContact CB-CG2 4.13Å; F419-I423 HydrophobicContact CD1-CD1 4.19Å; P420-I423 HydrophobicContact CB-CD1 4.3Å; P420-I423 HydrophobicContact CB-CG1 4.16Å; P420-I423 HydrophobicContact CG-CD1 4.17Å; P420-I423 VanDerWaalsContact O-CG1 3.29Å; P420-I423 WeakPolarHBondContact O-CG1 3.37Å; L421-I423 VanDerWaalsContact C-N 3.33Å; L421-I423 PolarHBondContact O-N 2.86Å
424	R	94.6	Very high	96.7	Very high	30 Å²	30	33.1 Å²	33.1	11%	0.113	19%	0.187	C	C	.	.	S	Bend	trans	-106.2	156.2	-177.5	-60.6	-57.2	-154.6	179.1	14.2	111.9	F419 P420 L421 D422 T428 S440 D442 H470	F419-R424 HydrophobicContact CB-CG 4.45Å; F419-R424 VanDerWaalsContact CB-NE 3.3Å; F419-R424 VanDerWaalsContact CD1-NH2 3.35Å; F419-R424 VanDerWaalsContact CG-CZ 3.45Å; P420-R424 WeakPolarHBondContact O-CG 3.25Å; L421-R424 PolarHBondContact O-N 3.08Å; D422-R424 VanDerWaalsContact C-N 3.32Å; R424-T428 HydrophobicContact CB-CG2 3.94Å; R424-T428 HydrophobicContact CG-CG2 4.4Å; R424-S440 PolarHBondContact NE-OG 2.85Å; R424-D442 IonicContact CZ-OD1 3.77Å; R424-D442 IonicContact CZ-OD2 3.41Å; R424-D442 IonicContact NH1-OD1 2.71Å; R424-D442 PolarHBondContact NH1-OD1 3.24Å; R424-D442 VanDerWaalsContact NH1-OD1 3.09Å; R424-D442 IonicContact NH1-OD2 3.61Å; R424-D442 PolarHBondContact NH1-OD2 3.28Å; R424-D442 IonicContact NH2-OD1 3.73Å; R424-D442 PolarHBondContact NH2-OD1 2.97Å; R424-D442 IonicContact NH2-OD2 2.75Å; R424-D442 PolarHBondContact NH2-OD2 3.27Å; R424-H470 PolarHBondContact O-CE1 3.35Å
425	A	93.4	Very high	96.4	Very high	36 Å²	36	42.5 Å²	42.5	30%	0.298	23%	0.228	S	C	.	.			trans	-60.3	154.9	-179.5	0	0	0	0	0	112.7	Y427 T428	A425-Y427 HydrophobicContact CB-CD1 4.19Å; A425-Y427 HydrophobicContact CB-CD2 4.16Å; A425-Y427 HydrophobicContact CB-CE1 3.69Å; A425-Y427 HydrophobicContact CB-CE2 3.63Å; A425-Y427 HydrophobicContact CB-CG 4.42Å; A425-Y427 PolarHBondContact O-N 3.48Å; A425-Y427 VanDerWaalsContact O-N 3.07Å; A425-T428 WeakPolarHBondContact O-CB 3.47Å; A425-T428 PolarHBondContact O-N 3.45Å; A425-T428 PolarHBondContact O-OG1 3.3Å
426	F	94	Very high	96.2	Very high	7 Å²	7	43.7 Å²	43.7	3%	0.031	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.4	-174.3	75.8	-87.9	0	0	0	114.9	T428 I457 L463 R466 A467 H470 V472 I477 Y480	F426-T428 PolarHBondContact O-N 3.04Å; F426-I457 WeakPolarHBondContact O-CD1 3.37Å; F426-L463 HydrophobicContact CD2-CD1 4.03Å; F426-L463 HydrophobicContact CE2-CD1 3.84Å; F426-R466 WeakPolarHBondContact O-CB 3.48Å; F426-A467 HydrophobicContact CD2-CB 3.71Å; F426-A467 HydrophobicContact CE2-CB 4.11Å; F426-A467 HydrophobicContact CG-CB 4.41Å; F426-H470 HydrophobicContact CB-CB 3.73Å; F426-V472 HydrophobicContact CD1-CG2 3.92Å; F426-V472 HydrophobicContact CE1-CG2 4.34Å; F426-V472 HydrophobicContact CG-CG2 4.24Å; F426-I477 HydrophobicContact CE2-CD1 3.98Å; F426-I477 HydrophobicContact CZ-CD1 4.09Å; F426-Y480 HydrophobicContact CE2-CE1 4.14Å; F426-Y480 HydrophobicContact CZ-CE1 4.21Å
427	Y	95.9	Very high	96.2	Very high	23 Å²	23	44 Å²	44	9%	0.09	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2.1	179.7	50.8	-113.4	0	0	0	113.7	Q276 A425 R456 I457	Q276-Y427 HydrophobicContact CG-CE1 3.97Å; Q276-Y427 HydrophobicContact CG-CE2 4.26Å; A425-Y427 HydrophobicContact CB-CD1 4.19Å; A425-Y427 HydrophobicContact CB-CD2 4.16Å; A425-Y427 HydrophobicContact CB-CE1 3.69Å; A425-Y427 HydrophobicContact CB-CE2 3.63Å; A425-Y427 HydrophobicContact CB-CG 4.42Å; A425-Y427 PolarHBondContact O-N 3.48Å; A425-Y427 VanDerWaalsContact O-N 3.07Å; Y427-R456 VanDerWaalsContact CE2-NH1 3.28Å; Y427-R456 CarbonylContact O-C 3.59Å; Y427-R456 VanDerWaalsContact O-CA 3.3Å; Y427-R456 WeakPolarHBondContact O-CA 3.31Å; Y427-I457 PolarHBondContact O-N 3.08Å
428	T	97.9	Very high	96.2	Very high	4 Å²	4	44 Å²	44	3%	0.025	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-79.4	127.9	-177.3	-54.7	0	0	0	0	111.1	R424 A425 F426 P430 A454 I457	R424-T428 HydrophobicContact CB-CG2 3.94Å; R424-T428 HydrophobicContact CG-CG2 4.4Å; A425-T428 WeakPolarHBondContact O-CB 3.47Å; A425-T428 PolarHBondContact O-N 3.45Å; A425-T428 PolarHBondContact O-OG1 3.3Å; F426-T428 PolarHBondContact O-N 3.04Å; T428-P430 WeakPolarHBondContact O-CD 3.43Å; T428-A454 HydrophobicContact CG2-CB 3.88Å; T428-I457 WeakPolarHBondContact O-CD1 3.39Å
429	M	98.6	Very high	96.2	Very high	23 Å²	23	43.7 Å²	43.7	11%	0.113	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-68	125.1	178.2	-174.4	64.3	76.5	0	0	111.6	S438 N439 Q455 I457 L462	M429-S438 WeakPolarHBondContact O-CA 3.28Å; M429-S438 WeakPolarHBondContact O-CB 3.33Å; M429-N439 HydrophobicContact CB-CB 4.38Å; M429-N439 PolarHBondContact O-N 2.86Å; M429-Q455 HydrophobicContact CB-CB 3.95Å; M429-Q455 HydrophobicContact CB-CG 3.74Å; M429-Q455 WeakPolarHBondContact CB-O 3.3Å; M429-Q455 HydrophobicContact CG-CG 4.15Å; M429-Q455 PolarHBondContact N-O 3.1Å; M429-I457 HydrophobicContact CB-CG1 4.44Å; M429-I457 HydrophobicContact CE-CB 4.39Å; M429-I457 HydrophobicContact CE-CG1 4.28Å; M429-I457 HydrophobicContact CE-CG2 4.47Å; M429-I457 HydrophobicContact SD-CG1 4.21Å; M429-L462 HydrophobicContact SD-CD2 4.01Å
430	P	98.3	Very high	96.2	Very high	34 Å²	34	43.6 Å²	43.6	22%	0.221	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-60.2	152.1	171	-23.8	35.4	0	0	0	112.8	L421 T428	L421-P430 HydrophobicContact CD1-CB 4.46Å; L421-P430 HydrophobicContact CD1-CG 4.2Å; L421-P430 HydrophobicContact CD2-CB 3.9Å; L421-P430 HydrophobicContact CD2-CG 3.93Å; T428-P430 WeakPolarHBondContact O-CD 3.43Å
431	H	98.1	Very high	96.2	Very high	43 Å²	43	43.5 Å²	43.5	20%	0.199	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-66.3	136.9	170.6	-164.1	-90.3	0	0	0	109.9	K418 T433 D434 Y437 N439	K418-H431 VanDerWaalsContact CE-CD2 3.49Å; K418-H431 WeakPolarHBondContact CE-CD2 3.34Å; K418-H431 WeakPolarHBondContact CE-NE2 3.42Å; K418-H431 PolarHBondContact NZ-CD2 3.29Å; K418-H431 PolarHBondContact NZ-NE2 2.67Å; H431-T433 VanDerWaalsContact C-N 3.29Å; H431-T433 PolarHBondContact CE1-OG1 3.19Å; H431-T433 VanDerWaalsContact CE1-OG1 3.3Å; H431-T433 PolarHBondContact ND1-N 2.99Å; H431-T433 PolarHBondContact ND1-OG1 3.1Å; H431-T433 PolarHBondContact O-N 2.87Å; H431-D434 HydrophobicContact CB-CB 4.21Å; H431-D434 WeakPolarHBondContact ND1-CB 3.38Å; H431-D434 PolarHBondContact ND1-N 3.25Å; H431-Y437 VanDerWaalsContact CB-O 3.31Å; H431-Y437 WeakPolarHBondContact CB-O 3.41Å; H431-Y437 PolarHBondContact N-O 2.97Å; H431-N439 PolarHBondContact CD2-OD1 3.01Å
432	P	96.8	Very high	96.3	Very high	108 Å²	108	42.9 Å²	42.9	70%	0.701	24%	0.236	S	C	*	.	S	Bend	trans	-65	-30.4	-174.5	23.5	-35	0	0	0	113.9
433	T	95.8	Very high	96.5	Very high	121 Å²	121	37.5 Å²	37.5	74%	0.742	21%	0.208	S	C	*	.	S	Bend	trans	-127.4	-15.9	-171.7	51.5	0	0	0	0	114.7	H431	H431-T433 VanDerWaalsContact C-N 3.29Å; H431-T433 PolarHBondContact CE1-OG1 3.19Å; H431-T433 VanDerWaalsContact CE1-OG1 3.3Å; H431-T433 PolarHBondContact ND1-N 2.99Å; H431-T433 PolarHBondContact ND1-OG1 3.1Å; H431-T433 PolarHBondContact O-N 2.87Å
434	D	94.1	Very high	96.8	Very high	50 Å²	50	34.6 Å²	34.6	27%	0.267	19%	0.193	S	C	.	.	S	Bend	trans	-112.4	95.4	-168.2	-155.7	-31.5	0	0	0	108.7	R374 H431 G436 Y437	R374-D434 IonicContact CZ-OD2 2.65Å; R374-D434 VanDerWaalsContact CZ-OD2 3.28Å; R374-D434 IonicContact NH1-OD2 3.2Å; R374-D434 PolarHBondContact NH1-OD2 2.95Å; R374-D434 VanDerWaalsContact NH1-OD2 3.1Å; R374-D434 VanDerWaalsContact NH2-CG 3.26Å; R374-D434 IonicContact NH2-OD1 2.67Å; R374-D434 PolarHBondContact NH2-OD1 3.27Å; R374-D434 IonicContact NH2-OD2 3.71Å; R374-D434 PolarHBondContact NH2-OD2 3.42Å; H431-D434 HydrophobicContact CB-CB 4.21Å; H431-D434 WeakPolarHBondContact ND1-CB 3.38Å; H431-D434 PolarHBondContact ND1-N 3.25Å; D434-G436 PolarHBondContact O-N 3.16Å; D434-Y437 HydrophobicContact CB-CD2 4.34Å; D434-Y437 PolarHBondContact O-N 3.37Å; D434-Y437 WeakPolarHBondContact OD1-CD2 3.38Å
435	K	92.4	Very high	97	Very high	199 Å²	199	33.2 Å²	33.2	87%	0.865	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	130.3	-170	-68.4	-175.6	178.4	-179.1	0	109.7
436	G	94.5	Very high	97.1	Very high	27 Å²	27	34.3 Å²	34.3	28%	0.278	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	-10.2	-178.6	0	0	0	0	0	114	P420 L421 D434	P420-G436 CarbonylContact C-O 3.5Å; P420-G436 VanDerWaalsContact CA-O 3.25Å; P420-G436 WeakPolarHBondContact CA-O 3.45Å; L421-G436 PolarHBondContact N-O 3.11Å; D434-G436 PolarHBondContact O-N 3.16Å
437	Y	98.1	Very high	97.2	Very high	7 Å²	7	34 Å²	34	3%	0.027	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-106.3	163.2	176.8	-71.1	-77.9	0	0	0	112.9	Y373 E389 L390 K418 P420 H431 D434	Y373-Y437 HydrophobicContact CD1-CE1 4.24Å; E389-Y437 WeakPolarHBondContact CG-OH 3.01Å; E389-Y437 PolarHBondContact OE1-OH 3.07Å; L390-Y437 HydrophobicContact CD2-CD2 4.47Å; L390-Y437 HydrophobicContact CD2-CE1 4.09Å; L390-Y437 HydrophobicContact CD2-CE2 3.96Å; K418-Y437 WeakPolarHBondContact O-CD1 3.42Å; K418-Y437 WeakPolarHBondContact O-CE1 3.36Å; P420-Y437 HydrophobicContact CG-CE1 4.45Å; H431-Y437 VanDerWaalsContact CB-O 3.31Å; H431-Y437 WeakPolarHBondContact CB-O 3.41Å; H431-Y437 PolarHBondContact N-O 2.97Å; D434-Y437 HydrophobicContact CB-CD2 4.34Å; D434-Y437 PolarHBondContact O-N 3.37Å; D434-Y437 WeakPolarHBondContact OD1-CD2 3.38Å
438	S	98.6	Very high	97.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-128.7	165	177.5	45.7	0	0	0	0	113.5	K418 F419 M429 S440	K418-S438 WeakPolarHBondContact CA-O 3.19Å; K418-S438 WeakPolarHBondContact CD-O 3.17Å; F419-S438 PolarHBondContact O-N 2.89Å; F419-S438 PolarHBondContact O-OG 3.31Å; M429-S438 WeakPolarHBondContact O-CA 3.28Å; M429-S438 WeakPolarHBondContact O-CB 3.33Å; S438-S440 PolarHBondContact O-N 2.75Å; S438-S440 PolarHBondContact OG-OG 3.42Å
439	N	98.7	Very high	97.2	Very high	9 Å²	9	36 Å²	36	5%	0.048	19%	0.193	C	C	.	.	S	Bend	trans	-83.4	56.2	169.5	-69.3	-12.6	0	0	0	110.7	Y324 K418 M429 H431 A454 Q455	Y324-N439 HydrophobicContact CD1-CB 3.85Å; Y324-N439 HydrophobicContact CE1-CB 3.7Å; Y324-N439 HydrophobicContact CG-CB 4.36Å; K418-N439 PolarHBondContact NZ-OD1 2.91Å; M429-N439 HydrophobicContact CB-CB 4.38Å; M429-N439 PolarHBondContact O-N 2.86Å; H431-N439 PolarHBondContact CD2-OD1 3.01Å; N439-A454 CarbonylContact O-C 3.59Å; N439-A454 WeakPolarHBondContact O-CA 3.1Å; N439-A454 WeakPolarHBondContact O-CB 3.31Å; N439-Q455 HydrophobicContact CB-CB 3.79Å; N439-Q455 PolarHBondContact ND2-OE1 2.63Å; N439-Q455 PolarHBondContact O-N 3.46Å
440	S	98.6	Very high	97.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.5	179.6	55.4	0	0	0	0	111.1	K418 F419 R424 S438 G453	K418-S440 PolarHBondContact N-O 2.97Å; F419-S440 WeakPolarHBondContact CB-OG 3.14Å; F419-S440 PolarHBondContact N-O 3.38Å; R424-S440 PolarHBondContact NE-OG 2.85Å; S438-S440 PolarHBondContact O-N 2.75Å; S438-S440 PolarHBondContact OG-OG 3.42Å; S440-G453 WeakPolarHBondContact CA-O 3.08Å
441	Y	98.7	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.7	-172.8	50.1	-91.1	0	0	0	110.2	Y324 V328 I331 L416 F443 G453 G493	Y324-Y441 AromaticContact CD2-CD1 3.87Å; Y324-Y441 HydrophobicContact CD2-CD1 3.87Å; Y324-Y441 AromaticContact CD2-CE1 3.71Å; Y324-Y441 HydrophobicContact CD2-CE1 3.71Å; Y324-Y441 AromaticContact CE2-CD1 3.65Å; Y324-Y441 HydrophobicContact CE2-CD1 3.65Å; Y324-Y441 HydrophobicContact CE2-CE1 4.01Å; V328-Y441 HydrophobicContact CG2-CD1 3.54Å; V328-Y441 HydrophobicContact CG2-CD2 4.18Å; V328-Y441 HydrophobicContact CG2-CE1 3.46Å; V328-Y441 VanDerWaalsContact CG2-CE1 3.46Å; V328-Y441 HydrophobicContact CG2-CE2 4.1Å; V328-Y441 HydrophobicContact CG2-CG 3.89Å; I331-Y441 HydrophobicContact CD1-CE2 4.29Å; L416-Y441 CarbonylContact O-C 3.57Å; L416-Y441 WeakPolarHBondContact O-CA 3.42Å; L416-Y441 WeakPolarHBondContact O-CB 3.33Å; Y441-F443 HydrophobicContact CD2-CD2 4.05Å; Y441-F443 AromaticContact CD2-CE2 3.58Å; Y441-F443 HydrophobicContact CD2-CE2 3.58Å; Y441-F443 AromaticContact CE2-CE2 3.87Å; Y441-F443 HydrophobicContact CE2-CE2 3.87Å; Y441-G453 PolarHBondContact N-O 3.35Å; Y441-G453 CarbonylContact O-C 3.52Å; Y441-G453 PolarHBondContact O-N 2.98Å; Y441-G493 PolarHBondContact OH-O 2.94Å; Y441-G493 VanDerWaalsContact OH-O 3.08Å
442	D	98.6	Very high	97	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.5	172.6	-64.7	-13.5	0	0	0	109.5	I415 L416 F419 R424 F444 E449 M451 S452	I415-D442 WeakPolarHBondContact CA-O 3.32Å; L416-D442 PolarHBondContact N-O 3.14Å; L416-D442 PolarHBondContact O-N 2.96Å; F419-D442 WeakPolarHBondContact CE1-OD2 3.44Å; F419-D442 HydrophobicContact CE2-CB 3.82Å; F419-D442 HydrophobicContact CZ-CB 3.69Å; F419-D442 WeakPolarHBondContact CZ-OD2 3.39Å; R424-D442 IonicContact CZ-OD1 3.77Å; R424-D442 IonicContact CZ-OD2 3.41Å; R424-D442 IonicContact NH1-OD1 2.71Å; R424-D442 PolarHBondContact NH1-OD1 3.24Å; R424-D442 VanDerWaalsContact NH1-OD1 3.09Å; R424-D442 IonicContact NH1-OD2 3.61Å; R424-D442 PolarHBondContact NH1-OD2 3.28Å; R424-D442 IonicContact NH2-OD1 3.73Å; R424-D442 PolarHBondContact NH2-OD1 2.97Å; R424-D442 IonicContact NH2-OD2 2.75Å; R424-D442 PolarHBondContact NH2-OD2 3.27Å; D442-F444 HydrophobicContact CB-CD2 4.42Å; D442-F444 HydrophobicContact CB-CE2 3.58Å; D442-F444 HydrophobicContact CB-CZ 3.99Å; D442-E449 HydrophobicContact CB-CG 4.25Å; D442-M451 CarbonylContact C-O 3.47Å; D442-M451 VanDerWaalsContact CA-O 3.24Å; D442-M451 WeakPolarHBondContact CA-O 3.48Å; D442-S452 VanDerWaalsContact OD1-CA 3.29Å; D442-S452 WeakPolarHBondContact OD1-CA 3.4Å; D442-S452 VanDerWaalsContact OD1-CB 3.29Å; D442-S452 WeakPolarHBondContact OD1-CB 3.48Å; D442-S452 PolarHBondContact OD1-OG 3.39Å
443	F	98.6	Very high	97.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.6	173.5	-70.7	-117.6	0	0	0	109.3	V328 I331 A332 F335 F413 I415 Y441 I450 M451	V328-F443 HydrophobicContact CG1-CE2 4.47Å; V328-F443 HydrophobicContact CG1-CZ 4.18Å; I331-F443 HydrophobicContact CB-CZ 3.99Å; I331-F443 HydrophobicContact CG2-CD2 4.5Å; I331-F443 HydrophobicContact CG2-CE1 3.86Å; I331-F443 HydrophobicContact CG2-CE2 3.84Å; I331-F443 HydrophobicContact CG2-CZ 3.48Å; I331-F443 VanDerWaalsContact CG2-CZ 3.48Å; A332-F443 HydrophobicContact CB-CE1 4.05Å; A332-F443 HydrophobicContact CB-CZ 4.39Å; F335-F443 AromaticContact CD2-CD1 3.93Å; F335-F443 HydrophobicContact CD2-CD1 3.93Å; F335-F443 HydrophobicContact CD2-CE1 4.1Å; F335-F443 HydrophobicContact CE2-CD1 4.02Å; F335-F443 HydrophobicContact CE2-CE1 4.43Å; F335-F443 HydrophobicContact CE2-CG 4.35Å; F413-F443 HydrophobicContact CE1-CD1 4.47Å; F413-F443 HydrophobicContact CE2-CB 4.29Å; F413-F443 AromaticContact CE2-CD1 3.7Å; F413-F443 HydrophobicContact CE2-CD1 3.7Å; F413-F443 AromaticContact CZ-CD1 3.45Å; F413-F443 HydrophobicContact CZ-CD1 3.45Å; F413-F443 VanDerWaalsContact CZ-CD1 3.45Å; F413-F443 AromaticContact CZ-CE1 3.92Å; F413-F443 HydrophobicContact CZ-CE1 3.92Å; I415-F443 HydrophobicContact CD1-CD1 4.19Å; I415-F443 HydrophobicContact CD1-CE1 3.45Å; I415-F443 VanDerWaalsContact CD1-CE1 3.45Å; I415-F443 HydrophobicContact CD1-CE2 4.34Å; I415-F443 HydrophobicContact CD1-CZ 3.54Å; I415-F443 HydrophobicContact CG1-CD1 3.66Å; I415-F443 HydrophobicContact CG1-CD2 4.45Å; I415-F443 HydrophobicContact CG1-CE1 3.47Å; I415-F443 VanDerWaalsContact CG1-CE1 3.47Å; I415-F443 HydrophobicContact CG1-CE2 4.27Å; I415-F443 HydrophobicContact CG1-CG 4.17Å; I415-F443 HydrophobicContact CG1-CZ 3.79Å; I415-F443 HydrophobicContact CG2-CD2 4.4Å; I415-F443 HydrophobicContact CG2-CE2 4.2Å; I415-F443 HydrophobicContact CG2-CZ 4.43Å; Y441-F443 HydrophobicContact CD2-CD2 4.05Å; Y441-F443 AromaticContact CD2-CE2 3.58Å; Y441-F443 HydrophobicContact CD2-CE2 3.58Å; Y441-F443 AromaticContact CE2-CE2 3.87Å; Y441-F443 HydrophobicContact CE2-CE2 3.87Å; F443-I450 HydrophobicContact CB-CD1 4.12Å; F443-I450 HydrophobicContact CB-CG1 4.02Å; F443-I450 WeakPolarHBondContact O-CG1 3.18Å; F443-I450 PolarHBondContact O-N 3.13Å; F443-M451 HydrophobicContact CB-CB 4.07Å; F443-M451 HydrophobicContact CD2-CB 4.48Å; F443-M451 HydrophobicContact CD2-SD 3.96Å; F443-M451 HydrophobicContact CE2-SD 4.28Å; F443-M451 HydrophobicContact CG-SD 4.38Å; F443-M451 PolarHBondContact N-O 3.42Å
444	F	98.5	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.6	-176.9	-68	-96.5	0	0	0	110.9	E398 F413 Y414 L416 F419 D442 E448 E449	E398-F444 HydrophobicContact CB-CE1 4.39Å; E398-F444 HydrophobicContact CG-CE1 4.25Å; F413-F444 WeakPolarHBondContact CA-O 3.46Å; F413-F444 WeakPolarHBondContact CD2-O 3.48Å; Y414-F444 HydrophobicContact CD1-CB 3.98Å; Y414-F444 HydrophobicContact CD2-CB 4.19Å; Y414-F444 HydrophobicContact CD2-CD2 4.11Å; Y414-F444 HydrophobicContact CD2-CG 4.42Å; Y414-F444 HydrophobicContact CE1-CB 3.49Å; Y414-F444 VanDerWaalsContact CE1-CB 3.49Å; Y414-F444 HydrophobicContact CE1-CG 4.22Å; Y414-F444 HydrophobicContact CE2-CB 3.71Å; Y414-F444 AromaticContact CE2-CD2 3.52Å; Y414-F444 HydrophobicContact CE2-CD2 3.52Å; Y414-F444 HydrophobicContact CE2-CE2 4.31Å; Y414-F444 AromaticContact CE2-CG 3.65Å; Y414-F444 HydrophobicContact CE2-CG 3.65Å; Y414-F444 HydrophobicContact CG-CB 4.31Å; Y414-F444 AromaticContact CZ-CD2 3.93Å; Y414-F444 AromaticContact CZ-CG 3.53Å; Y414-F444 PolarHBondContact N-O 3.48Å; Y414-F444 PolarHBondContact O-N 3.43Å; Y414-F444 WeakPolarHBondContact OH-CG 3.42Å; L416-F444 HydrophobicContact CB-CE2 3.96Å; L416-F444 HydrophobicContact CD1-CD2 4.25Å; L416-F444 HydrophobicContact CD1-CE2 3.54Å; L416-F444 HydrophobicContact CD1-CZ 3.91Å; L416-F444 HydrophobicContact CG-CD2 4.01Å; L416-F444 HydrophobicContact CG-CE2 3.62Å; L416-F444 HydrophobicContact CG-CZ 4.48Å; F419-F444 HydrophobicContact CZ-CE2 4.34Å; F419-F444 HydrophobicContact CZ-CZ 4.42Å; D442-F444 HydrophobicContact CB-CD2 4.42Å; D442-F444 HydrophobicContact CB-CE2 3.58Å; D442-F444 HydrophobicContact CB-CZ 3.99Å; F444-E448 CarbonylContact C-O 3.57Å; F444-E448 VanDerWaalsContact CA-O 3.31Å; F444-E448 WeakPolarHBondContact CA-O 3.45Å; F444-E449 HydrophobicContact CD1-CB 4.31Å; F444-E449 HydrophobicContact CE1-CB 3.92Å; F444-E449 HydrophobicContact CZ-CB 4.42Å
445	M	98.1	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.5	167.4	-69.5	177	65.2	0	0	108.9	F339 F362 D412 F413 G447 E448 I450 V501 L504 F505	F339-M445 HydrophobicContact CE1-CE 3.77Å; F339-M445 HydrophobicContact CE1-SD 4.08Å; F339-M445 HydrophobicContact CZ-CE 4.05Å; F339-M445 HydrophobicContact CZ-CG 4.46Å; F339-M445 HydrophobicContact CZ-SD 3.94Å; F362-M445 HydrophobicContact CD2-CE 4.28Å; F362-M445 HydrophobicContact CE1-CE 4.21Å; F362-M445 HydrophobicContact CE2-CB 4.07Å; F362-M445 HydrophobicContact CE2-CE 3.55Å; F362-M445 HydrophobicContact CE2-CG 4.22Å; F362-M445 HydrophobicContact CZ-CB 4.16Å; F362-M445 HydrophobicContact CZ-CE 3.52Å; F362-M445 HydrophobicContact CZ-CG 3.84Å; F362-M445 HydrophobicContact CZ-SD 4.39Å; D412-M445 CarbonylContact O-C 3.59Å; D412-M445 VanDerWaalsContact O-CA 3.25Å; D412-M445 WeakPolarHBondContact O-CA 3.3Å; F413-M445 HydrophobicContact CD2-CG 3.95Å; M445-G447 PolarHBondContact O-N 2.87Å; M445-E448 PolarHBondContact N-O 3.15Å; M445-E448 PolarHBondContact O-N 3.19Å; M445-I450 HydrophobicContact CB-CG2 3.84Å; M445-I450 HydrophobicContact CG-CD1 3.53Å; M445-I450 HydrophobicContact CG-CG1 3.92Å; M445-I450 HydrophobicContact CG-CG2 3.89Å; M445-I450 HydrophobicContact SD-CB 4.43Å; M445-I450 HydrophobicContact SD-CD1 3.48Å; M445-I450 WeakPolarHBondContact SD-CD1 3.39Å; M445-I450 HydrophobicContact SD-CG1 4.22Å; M445-I450 HydrophobicContact SD-CG2 3.83Å; M445-V501 HydrophobicContact CE-CG1 4.39Å; M445-V501 HydrophobicContact SD-CB 4.47Å; M445-V501 HydrophobicContact SD-CG1 4.13Å; M445-V501 HydrophobicContact SD-CG2 4.31Å; M445-L504 HydrophobicContact CB-CB 3.83Å; M445-L504 HydrophobicContact CB-CD1 4.05Å; M445-L504 HydrophobicContact CE-CB 4.27Å; M445-F505 HydrophobicContact CE-CB 3.77Å; M445-F505 HydrophobicContact CE-CD2 4.44Å
446	R	97	Very high	97.7	Very high	59 Å²	59	12.4 Å²	12.4	22%	0.223	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.2	-178.3	-57.4	-169.3	-175.7	-87.7	11.6	113.6	E360 F362 D412 E448 L504	E360-R446 PolarHBondContact O-NH2 2.84Å; F362-R446 HydrophobicContact CD2-CG 4.31Å; F362-R446 HydrophobicContact CE2-CG 4.08Å; D412-R446 HydrophobicContact CB-CG 4.07Å; D412-R446 PolarHBondContact O-N 2.9Å; D412-R446 IonicContact OD1-NH1 3.39Å; D412-R446 PolarHBondContact OD1-NH1 2.69Å; D412-R446 IonicContact OD2-NH1 3.1Å; R446-E448 VanDerWaalsContact C-N 3.3Å; R446-E448 PolarHBondContact O-N 3Å; R446-L504 VanDerWaalsContact CD-O 3.24Å; R446-L504 WeakPolarHBondContact CD-O 3.44Å; R446-L504 PolarHBondContact NE-O 3.12Å
447	G	96.2	Very high	97.9	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.01	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	16.7	-179.5	0	0	0	0	0	114.9	E398 K399 M445	E398-G447 CarbonylContact C-O 3.46Å; E398-G447 VanDerWaalsContact C-O 3.31Å; K399-G447 WeakPolarHBondContact CA-O 3.39Å; K399-G447 PolarHBondContact N-O 3.46Å; M445-G447 PolarHBondContact O-N 2.87Å
448	E	96.4	Very high	97.9	Very high	16 Å²	16	13.5 Å²	13.5	8%	0.075	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.8	174.4	-65.1	-163.5	-147.1	0	0	111.4	K399 F444 M445 R446 I450 R500 L504	K399-E448 VanDerWaalsContact CE-OE1 3.29Å; K399-E448 WeakPolarHBondContact CE-OE1 3.32Å; K399-E448 HydrophobicContact CG-CG 4.33Å; K399-E448 IonicContact NZ-OE1 3.8Å; K399-E448 PolarHBondContact NZ-OE1 2.95Å; F444-E448 CarbonylContact C-O 3.57Å; F444-E448 VanDerWaalsContact CA-O 3.31Å; F444-E448 WeakPolarHBondContact CA-O 3.45Å; M445-E448 PolarHBondContact N-O 3.15Å; M445-E448 PolarHBondContact O-N 3.19Å; R446-E448 VanDerWaalsContact C-N 3.3Å; R446-E448 PolarHBondContact O-N 3Å; E448-I450 PolarHBondContact O-N 3.2Å; E448-R500 IonicContact OE2-NH2 3.12Å; E448-R500 PolarHBondContact OE2-NH2 3.45Å; E448-L504 HydrophobicContact CB-CD1 3.77Å; E448-L504 HydrophobicContact CB-CD2 4.01Å; E448-L504 HydrophobicContact CG-CD2 4.18Å
449	E	96.7	Very high	97.9	Very high	54 Å²	54	16.8 Å²	16.8	25%	0.252	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	126.7	177.7	-169.2	-150.1	146.7	0	0	111	D442 F444 S452 R500	D442-E449 HydrophobicContact CB-CG 4.25Å; F444-E449 HydrophobicContact CD1-CB 4.31Å; F444-E449 HydrophobicContact CE1-CB 3.92Å; F444-E449 HydrophobicContact CZ-CB 4.42Å; E449-S452 WeakPolarHBondContact OE1-CB 3.44Å; E449-R500 WeakPolarHBondContact O-CD 3.03Å; E449-R500 PolarHBondContact O-NE 3.39Å; E449-R500 PolarHBondContact O-NH1 3.35Å; E449-R500 VanDerWaalsContact O-NH1 3.09Å; E449-R500 PolarHBondContact O-NH2 3.41Å
450	I	97.2	Very high	97.9	Very high	6 Å²	6	17.4 Å²	17.4	3%	0.031	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-18.9	174.7	50.1	147.9	0	0	0	113.7	F335 F413 F443 M445 E448 R500 V501 L504	F335-I450 HydrophobicContact CD1-CD1 4.34Å; F335-I450 HydrophobicContact CE1-CD1 3.59Å; F335-I450 HydrophobicContact CE2-CD1 4.18Å; F335-I450 HydrophobicContact CZ-CD1 3.5Å; F335-I450 VanDerWaalsContact CZ-CD1 3.5Å; F413-I450 HydrophobicContact CE2-CD1 4.07Å; F443-I450 HydrophobicContact CB-CD1 4.12Å; F443-I450 HydrophobicContact CB-CG1 4.02Å; F443-I450 WeakPolarHBondContact O-CG1 3.18Å; F443-I450 PolarHBondContact O-N 3.13Å; M445-I450 HydrophobicContact CB-CG2 3.84Å; M445-I450 HydrophobicContact CG-CD1 3.53Å; M445-I450 HydrophobicContact CG-CG1 3.92Å; M445-I450 HydrophobicContact CG-CG2 3.89Å; M445-I450 HydrophobicContact SD-CB 4.43Å; M445-I450 HydrophobicContact SD-CD1 3.48Å; M445-I450 WeakPolarHBondContact SD-CD1 3.39Å; M445-I450 HydrophobicContact SD-CG1 4.22Å; M445-I450 HydrophobicContact SD-CG2 3.83Å; E448-I450 PolarHBondContact O-N 3.2Å; I450-R500 HydrophobicContact CG2-CG 4.44Å; I450-V501 HydrophobicContact CB-CG2 4.22Å; I450-V501 HydrophobicContact CD1-CG2 4.33Å; I450-V501 HydrophobicContact CG2-CG2 4.36Å; I450-L504 HydrophobicContact CG2-CD1 3.38Å
451	M	97.4	Very high	97.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	132	-177.6	-174.7	-174.7	-145.3	0	0	109.6	I316 I331 F335 D442 F443 G495 I496	I316-M451 HydrophobicContact CD1-CE 4.31Å; I331-M451 HydrophobicContact CD1-CE 3.84Å; I331-M451 HydrophobicContact CD1-SD 4.46Å; I331-M451 HydrophobicContact CG1-CE 4.28Å; I331-M451 HydrophobicContact CG2-CE 3.74Å; I331-M451 HydrophobicContact CG2-SD 3.48Å; I331-M451 WeakPolarHBondContact CG2-SD 3.14Å; F335-M451 HydrophobicContact CE2-SD 3.86Å; F335-M451 HydrophobicContact CZ-SD 4.38Å; D442-M451 CarbonylContact C-O 3.47Å; D442-M451 VanDerWaalsContact CA-O 3.24Å; D442-M451 WeakPolarHBondContact CA-O 3.48Å; F443-M451 HydrophobicContact CB-CB 4.07Å; F443-M451 HydrophobicContact CD2-CB 4.48Å; F443-M451 HydrophobicContact CD2-SD 3.96Å; F443-M451 HydrophobicContact CE2-SD 4.28Å; F443-M451 HydrophobicContact CG-SD 4.38Å; F443-M451 PolarHBondContact N-O 3.42Å; M451-G495 WeakPolarHBondContact CA-O 3.33Å; M451-G495 WeakPolarHBondContact CG-O 3.32Å; M451-I496 HydrophobicContact CB-CG1 4.1Å; M451-I496 HydrophobicContact CE-CD1 3.74Å; M451-I496 HydrophobicContact CE-CG1 3.5Å; M451-I496 VanDerWaalsContact CE-CG1 3.5Å; M451-I496 HydrophobicContact CG-CG1 3.83Å; M451-I496 HydrophobicContact SD-CD1 4.21Å; M451-I496 HydrophobicContact SD-CG1 3.79Å
452	S	96.4	Very high	97.8	Very high	44 Å²	44	23.7 Å²	23.7	31%	0.308	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134	162.7	-170.3	0	0	0	0	110.3	D442 E449 G494 G495	D442-S452 VanDerWaalsContact OD1-CA 3.29Å; D442-S452 WeakPolarHBondContact OD1-CA 3.4Å; D442-S452 VanDerWaalsContact OD1-CB 3.29Å; D442-S452 WeakPolarHBondContact OD1-CB 3.48Å; D442-S452 PolarHBondContact OD1-OG 3.39Å; E449-S452 WeakPolarHBondContact OE1-CB 3.44Å; S452-G494 VanDerWaalsContact O-CA 3.28Å; S452-G494 WeakPolarHBondContact O-CA 3.37Å; S452-G495 PolarHBondContact O-N 3.32Å
453	G	98.1	Very high	97.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.1	-178.5	0	0	0	0	0	112.7	S440 Y441 G493	S440-G453 WeakPolarHBondContact CA-O 3.08Å; Y441-G453 PolarHBondContact N-O 3.35Å; Y441-G453 CarbonylContact O-C 3.52Å; Y441-G453 PolarHBondContact O-N 2.98Å; G453-G493 CarbonylContact C-O 3.44Å; G453-G493 WeakPolarHBondContact CA-O 3.29Å
454	A	98.6	Very high	97.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.008	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	162.6	171.3	0	0	0	0	0	111.6	T428 N439 R456 A492 G493	T428-A454 HydrophobicContact CG2-CB 3.88Å; N439-A454 CarbonylContact O-C 3.59Å; N439-A454 WeakPolarHBondContact O-CA 3.1Å; N439-A454 WeakPolarHBondContact O-CB 3.31Å; A454-R456 VanDerWaalsContact CB-NH1 3.28Å; A454-A492 VanDerWaalsContact O-CA 3.26Å; A454-A492 WeakPolarHBondContact O-CA 3.39Å; A454-A492 WeakPolarHBondContact O-CB 3.43Å; A454-G493 PolarHBondContact N-O 2.96Å; A454-G493 PolarHBondContact O-N 3.44Å
455	Q	98.8	Very high	97.6	Very high	20 Å²	20	30.1 Å²	30.1	9%	0.093	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.5	151.3	-178.5	179.1	-7.3	0	0	109.5	F320 Y324 M429 N439 A492	F320-Q455 HydrophobicContact CE1-CG 3.96Å; F320-Q455 HydrophobicContact CZ-CG 3.93Å; Y324-Q455 HydrophobicContact CG-CB 4.11Å; M429-Q455 HydrophobicContact CB-CB 3.95Å; M429-Q455 HydrophobicContact CB-CG 3.74Å; M429-Q455 WeakPolarHBondContact CB-O 3.3Å; M429-Q455 HydrophobicContact CG-CG 4.15Å; M429-Q455 PolarHBondContact N-O 3.1Å; N439-Q455 HydrophobicContact CB-CB 3.79Å; N439-Q455 PolarHBondContact ND2-OE1 2.63Å; N439-Q455 PolarHBondContact O-N 3.46Å; Q455-A492 HydrophobicContact CB-CB 4.36Å
456	R	98.3	Very high	97.4	Very high	9 Å²	9	31.2 Å²	31.2	3%	0.034	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-94	154	177.8	-47	-53.8	-177.2	-168.7	5.8	110.8	Q276 Q280 E317 Y427 A454 H458 H491	Q276-R456 VanDerWaalsContact NE2-NE 3.17Å; Q280-R456 HydrophobicContact CG-CG 4.24Å; E317-R456 WeakPolarHBondContact OE1-CG 3.45Å; E317-R456 IonicContact OE1-NE 3.86Å; E317-R456 IonicContact OE2-NE 2.77Å; Y427-R456 VanDerWaalsContact CE2-NH1 3.28Å; Y427-R456 CarbonylContact O-C 3.59Å; Y427-R456 VanDerWaalsContact O-CA 3.3Å; Y427-R456 WeakPolarHBondContact O-CA 3.31Å; A454-R456 VanDerWaalsContact CB-NH1 3.28Å; R456-H458 PolarHBondContact O-N 2.92Å; R456-H491 WeakPolarHBondContact CB-NE2 3.3Å; R456-H491 PolarHBondContact N-O 3.41Å
457	I	98.4	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.			trans	-76.3	113	173.5	-58.3	163.8	0	0	0	108.7	F426 Y427 T428 M429 D459 L462 L463 R466	F426-I457 WeakPolarHBondContact O-CD1 3.37Å; Y427-I457 PolarHBondContact O-N 3.08Å; T428-I457 WeakPolarHBondContact O-CD1 3.39Å; M429-I457 HydrophobicContact CB-CG1 4.44Å; M429-I457 HydrophobicContact CE-CB 4.39Å; M429-I457 HydrophobicContact CE-CG1 4.28Å; M429-I457 HydrophobicContact CE-CG2 4.47Å; M429-I457 HydrophobicContact SD-CG1 4.21Å; I457-D459 WeakPolarHBondContact CG2-O 3.35Å; I457-L462 HydrophobicContact CD1-CG 4.29Å; I457-L462 HydrophobicContact CG1-CD2 4.46Å; I457-L462 HydrophobicContact CG2-CB 3.88Å; I457-L462 HydrophobicContact CG2-CD2 3.97Å; I457-L462 HydrophobicContact CG2-CG 3.87Å; I457-L463 HydrophobicContact CB-CB 4.33Å; I457-L463 HydrophobicContact CB-CD1 4.21Å; I457-L463 HydrophobicContact CG2-CB 3.85Å; I457-R466 HydrophobicContact CD1-CB 4.01Å; I457-R466 HydrophobicContact CD1-CG 3.67Å
458	H	98.3	Very high	97.1	Very high	58 Å²	58	32.3 Å²	32.3	27%	0.269	17%	0.174	S	C	.	.			trans	-93.7	-13.9	177.4	64.1	-77.5	0	0	0	112.9	R456 C488	R456-H458 PolarHBondContact O-N 2.92Å; H458-C488 HydrophobicContact CB-CB 4.44Å; H458-C488 PolarHBondContact CD2-O 2.93Å
459	D	98.3	Very high	97	Very high	69 Å²	69	37.2 Å²	37.2	37%	0.369	20%	0.197	S	C	.	.			trans	-84.8	121.4	175.6	176.6	74.9	0	0	0	110.9	I457 V461 L462 L463	I457-D459 WeakPolarHBondContact CG2-O 3.35Å; D459-V461 VanDerWaalsContact C-N 3.28Å; D459-V461 PolarHBondContact O-N 2.75Å; D459-V461 WeakPolarHBondContact OD2-CA 3.44Å; D459-V461 WeakPolarHBondContact OD2-CB 3.43Å; D459-V461 PolarHBondContact OD2-N 2.71Å; D459-L462 HydrophobicContact CB-CB 4.34Å; D459-L462 PolarHBondContact OD2-N 3.37Å; D459-L463 VanDerWaalsContact O-CB 3.27Å; D459-L463 WeakPolarHBondContact O-CB 3.35Å; D459-L463 PolarHBondContact O-N 3.28Å
460	P	97.8	Very high	96.7	Very high	21 Å²	21	37.7 Å²	37.7	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-68	-24.2	-174	26	-34.7	0	0	0	113.7	S464 I481 F484 R485	P460-S464 WeakPolarHBondContact O-CB 3.48Å; P460-S464 PolarHBondContact O-N 3.45Å; P460-S464 VanDerWaalsContact O-N 3.13Å; P460-S464 PolarHBondContact O-OG 3.31Å; P460-I481 HydrophobicContact CB-CG2 4.24Å; P460-F484 HydrophobicContact CB-CB 4.29Å; P460-R485 HydrophobicContact CB-CG 3.97Å; P460-R485 HydrophobicContact CG-CG 4.15Å
461	V	97.9	Very high	96.3	Very high	84 Å²	84	46.7 Å²	46.7	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-72.7	-55.2	178.7	179.6	0	0	0	0	109.1	D459 L463 S464 E465	D459-V461 VanDerWaalsContact C-N 3.28Å; D459-V461 PolarHBondContact O-N 2.75Å; D459-V461 WeakPolarHBondContact OD2-CA 3.44Å; D459-V461 WeakPolarHBondContact OD2-CB 3.43Å; D459-V461 PolarHBondContact OD2-N 2.71Å; V461-L463 VanDerWaalsContact C-N 3.27Å; V461-L463 PolarHBondContact O-N 2.92Å; V461-S464 WeakPolarHBondContact O-CB 3.44Å; V461-S464 PolarHBondContact O-N 2.82Å; V461-S464 VanDerWaalsContact O-N 3.1Å; V461-E465 WeakPolarHBondContact O-CG 3.36Å; V461-E465 PolarHBondContact O-N 3.47Å
462	L	97.9	Very high	95.9	Very high	50 Å²	50	47.5 Å²	47.5	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-37.9	177.1	-179.4	60.1	0	0	0	111.9	M429 I457 D459 S464 E465 R466	M429-L462 HydrophobicContact SD-CD2 4.01Å; I457-L462 HydrophobicContact CD1-CG 4.29Å; I457-L462 HydrophobicContact CG1-CD2 4.46Å; I457-L462 HydrophobicContact CG2-CB 3.88Å; I457-L462 HydrophobicContact CG2-CD2 3.97Å; I457-L462 HydrophobicContact CG2-CG 3.87Å; D459-L462 HydrophobicContact CB-CB 4.34Å; D459-L462 PolarHBondContact OD2-N 3.37Å; L462-S464 VanDerWaalsContact C-N 3.34Å; L462-S464 PolarHBondContact O-N 2.89Å; L462-E465 PolarHBondContact O-N 2.92Å; L462-R466 HydrophobicContact CD1-CG 4.22Å; L462-R466 WeakPolarHBondContact O-CG 3.26Å; L462-R466 PolarHBondContact O-N 2.77Å
463	L	97.3	Very high	95.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-43.2	176.4	-178.7	62.6	0	0	0	111.3	F426 I457 D459 V461 R466 A467 Y480 I481 F484	F426-L463 HydrophobicContact CD2-CD1 4.03Å; F426-L463 HydrophobicContact CE2-CD1 3.84Å; I457-L463 HydrophobicContact CB-CB 4.33Å; I457-L463 HydrophobicContact CB-CD1 4.21Å; I457-L463 HydrophobicContact CG2-CB 3.85Å; D459-L463 VanDerWaalsContact O-CB 3.27Å; D459-L463 WeakPolarHBondContact O-CB 3.35Å; D459-L463 PolarHBondContact O-N 3.28Å; V461-L463 VanDerWaalsContact C-N 3.27Å; V461-L463 PolarHBondContact O-N 2.92Å; L463-R466 PolarHBondContact O-N 3.36Å; L463-A467 VanDerWaalsContact O-CB 3.25Å; L463-A467 WeakPolarHBondContact O-CB 3.26Å; L463-A467 PolarHBondContact O-N 2.87Å; L463-Y480 HydrophobicContact CD1-CE1 4.19Å; L463-Y480 HydrophobicContact CD2-CD1 4.37Å; L463-Y480 HydrophobicContact CD2-CE1 3.72Å; L463-Y480 HydrophobicContact CG-CE1 4.39Å; L463-I481 HydrophobicContact CD2-CG1 4.13Å; L463-I481 HydrophobicContact CG-CG1 4.49Å; L463-F484 HydrophobicContact CD2-CD2 3.59Å; L463-F484 HydrophobicContact CD2-CE2 3.64Å; L463-F484 HydrophobicContact CD2-CG 4.34Å; L463-F484 HydrophobicContact CD2-CZ 4.44Å
464	S	96.8	Very high	95.1	Very high	23 Å²	23	52.1 Å²	52.1	16%	0.161	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-39.5	177.4	-58.5	0	0	0	0	111.9	P460 V461 L462 T468	P460-S464 WeakPolarHBondContact O-CB 3.48Å; P460-S464 PolarHBondContact O-N 3.45Å; P460-S464 VanDerWaalsContact O-N 3.13Å; P460-S464 PolarHBondContact O-OG 3.31Å; V461-S464 WeakPolarHBondContact O-CB 3.44Å; V461-S464 PolarHBondContact O-N 2.82Å; V461-S464 VanDerWaalsContact O-N 3.1Å; L462-S464 VanDerWaalsContact C-N 3.34Å; L462-S464 PolarHBondContact O-N 2.89Å; S464-T468 WeakPolarHBondContact O-CB 3.33Å; S464-T468 PolarHBondContact O-N 2.86Å; S464-T468 PolarHBondContact O-OG1 2.63Å
465	E	97	Very high	94.8	Very high	116 Å²	116	58.7 Å²	58.7	54%	0.542	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-47.7	175.3	-71.3	174.9	-179.7	0	0	111.5	V461 L462 T468 H469	V461-E465 WeakPolarHBondContact O-CG 3.36Å; V461-E465 PolarHBondContact O-N 3.47Å; L462-E465 PolarHBondContact O-N 2.92Å; E465-T468 PolarHBondContact O-N 3.19Å; E465-H469 PolarHBondContact O-N 2.82Å
466	R	95	Very high	94.2	Very high	24 Å²	24	64 Å²	64	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-40.2	178.6	-69.6	-66.2	-62.5	157.6	-2.7	112.5	F426 I457 L462 L463 T468 H469 H470	F426-R466 WeakPolarHBondContact O-CB 3.48Å; I457-R466 HydrophobicContact CD1-CB 4.01Å; I457-R466 HydrophobicContact CD1-CG 3.67Å; L462-R466 HydrophobicContact CD1-CG 4.22Å; L462-R466 WeakPolarHBondContact O-CG 3.26Å; L462-R466 PolarHBondContact O-N 2.77Å; L463-R466 PolarHBondContact O-N 3.36Å; R466-T468 VanDerWaalsContact C-N 3.3Å; R466-T468 PolarHBondContact O-N 3.06Å; R466-H469 PolarHBondContact NH1-CD2 3.16Å; R466-H469 VanDerWaalsContact NH1-CD2 3.25Å; R466-H469 WeakPolarHBondContact O-CB 3.41Å; R466-H469 PolarHBondContact O-N 3.17Å; R466-H470 PolarHBondContact NH2-NE2 3.03Å; R466-H470 VanDerWaalsContact NH2-NE2 3.16Å; R466-H470 PolarHBondContact O-CD2 2.94Å; R466-H470 PolarHBondContact O-N 2.94Å
467	A	93.2	Very high	93.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-44.1	172.7	0	0	0	0	0	111.3	F426 L463 H470 K471 V472 L474 I477	F426-A467 HydrophobicContact CD2-CB 3.71Å; F426-A467 HydrophobicContact CE2-CB 4.11Å; F426-A467 HydrophobicContact CG-CB 4.41Å; L463-A467 VanDerWaalsContact O-CB 3.25Å; L463-A467 WeakPolarHBondContact O-CB 3.26Å; L463-A467 PolarHBondContact O-N 2.87Å; A467-H470 CarbonylContact O-C 3.59Å; A467-H470 PolarHBondContact O-N 3.33Å; A467-K471 PolarHBondContact O-N 3.48Å; A467-K471 VanDerWaalsContact O-N 3.14Å; A467-V472 HydrophobicContact CB-CB 4.18Å; A467-V472 WeakPolarHBondContact O-CB 3.35Å; A467-V472 PolarHBondContact O-N 3.21Å; A467-L474 HydrophobicContact CB-CD2 3.59Å; A467-I477 HydrophobicContact CB-CD1 4.06Å
468	T	94.1	Very high	93.5	Very high	83 Å²	83	68.6 Å²	68.6	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-43.9	176.1	-56.7	0	0	0	0	111.6	S464 E465 R466 H470 K471	S464-T468 WeakPolarHBondContact O-CB 3.33Å; S464-T468 PolarHBondContact O-N 2.86Å; S464-T468 PolarHBondContact O-OG1 2.63Å; E465-T468 PolarHBondContact O-N 3.19Å; R466-T468 VanDerWaalsContact C-N 3.3Å; R466-T468 PolarHBondContact O-N 3.06Å; T468-H470 VanDerWaalsContact C-N 3.29Å; T468-H470 PolarHBondContact O-N 3.46Å; T468-K471 PolarHBondContact O-N 2.97Å
469	H	92.7	Very high	93.2	Very high	119 Å²	119	69.2 Å²	69.2	55%	0.551	35%	0.353	S	S	*	.	H	α-helix	trans	-58.7	-40.4	175.8	179.7	86.6	0	0	0	112.3	E465 R466 K471	E465-H469 PolarHBondContact O-N 2.82Å; R466-H469 PolarHBondContact NH1-CD2 3.16Å; R466-H469 VanDerWaalsContact NH1-CD2 3.25Å; R466-H469 WeakPolarHBondContact O-CB 3.41Å; R466-H469 PolarHBondContact O-N 3.17Å; H469-K471 PolarHBondContact O-N 2.84Å
470	H	90.4	Very high	93.1	Very high	64 Å²	64	66.2 Å²	66.2	30%	0.296	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	6.2	174.8	-82.7	-97.3	0	0	0	114.1	R424 F426 R466 A467 T468 V472	R424-H470 PolarHBondContact O-CE1 3.35Å; F426-H470 HydrophobicContact CB-CB 3.73Å; R466-H470 PolarHBondContact NH2-NE2 3.03Å; R466-H470 VanDerWaalsContact NH2-NE2 3.16Å; R466-H470 PolarHBondContact O-CD2 2.94Å; R466-H470 PolarHBondContact O-N 2.94Å; A467-H470 CarbonylContact O-C 3.59Å; A467-H470 PolarHBondContact O-N 3.33Å; T468-H470 VanDerWaalsContact C-N 3.29Å; T468-H470 PolarHBondContact O-N 3.46Å; H470-V472 HydrophobicContact CB-CG2 4.1Å; H470-V472 PolarHBondContact O-N 3.17Å
471	K	90.7	Very high	93	Very high	194 Å²	194	65.6 Å²	65.6	84%	0.843	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	30.6	-179.2	-51.8	175.9	-176.2	173.3	0	113.3	A467 T468 H469	A467-K471 PolarHBondContact O-N 3.48Å; A467-K471 VanDerWaalsContact O-N 3.14Å; T468-K471 PolarHBondContact O-N 2.97Å; H469-K471 PolarHBondContact O-N 2.84Å
472	V	87.1	Confident	92.9	Very high	18 Å²	18	62.8 Å²	62.8	11%	0.109	31%	0.314	C	S	.	.			trans	-79.2	130.3	172	-178	0	0	0	0	108.9	F426 A467 H470 L474 I477	F426-V472 HydrophobicContact CD1-CG2 3.92Å; F426-V472 HydrophobicContact CE1-CG2 4.34Å; F426-V472 HydrophobicContact CG-CG2 4.24Å; A467-V472 HydrophobicContact CB-CB 4.18Å; A467-V472 WeakPolarHBondContact O-CB 3.35Å; A467-V472 PolarHBondContact O-N 3.21Å; H470-V472 HydrophobicContact CB-CG2 4.1Å; H470-V472 PolarHBondContact O-N 3.17Å; V472-L474 PolarHBondContact O-N 3.16Å; V472-I477 HydrophobicContact CG1-CD1 3.77Å; V472-I477 HydrophobicContact CG1-CG1 4.25Å; V472-I477 HydrophobicContact CG1-CG2 4.3Å
473	D	88.2	Confident	92.9	Very high	79 Å²	79	61 Å²	61	42%	0.422	31%	0.306	S	S	.	.			trans	-70.9	108.4	177.1	-178.7	-4.1	0	0	0	110.4	E475 K476	D473-E475 PolarHBondContact O-N 3.22Å; D473-E475 PolarHBondContact OD1-N 3.15Å; D473-E475 VanDerWaalsContact OD1-N 3.15Å; D473-K476 HydrophobicContact CB-CD 4.02Å; D473-K476 HydrophobicContact CB-CG 4.17Å; D473-K476 PolarHBondContact O-N 2.88Å; D473-K476 VanDerWaalsContact O-N 3.13Å; D473-K476 WeakPolarHBondContact OD2-CE 3.42Å; D473-K476 IonicContact OD2-NZ 2.73Å
474	L	91	Very high	92.9	Very high	62 Å²	62	61.2 Å²	61.2	33%	0.325	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.6	-175.8	-61.1	-177.9	0	0	0	112.9	A467 V472 K476 I477 K478 I481	A467-L474 HydrophobicContact CB-CD2 3.59Å; V472-L474 PolarHBondContact O-N 3.16Å; L474-K476 VanDerWaalsContact C-N 3.3Å; L474-K476 PolarHBondContact O-N 3.48Å; L474-I477 HydrophobicContact CD2-CD1 4.49Å; L474-I477 CarbonylContact O-C 3.56Å; L474-I477 PolarHBondContact O-N 3.07Å; L474-K478 WeakPolarHBondContact O-CA 3.49Å; L474-K478 PolarHBondContact O-N 2.93Å; L474-I481 HydrophobicContact CD2-CD1 3.85Å
475	E	90.9	Very high	92.9	Very high	139 Å²	139	67.1 Å²	67.1	65%	0.65	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-35.2	-179.2	-169.3	58	-153.3	0	0	111	D473 I477 K478	D473-E475 PolarHBondContact O-N 3.22Å; D473-E475 PolarHBondContact OD1-N 3.15Å; D473-E475 VanDerWaalsContact OD1-N 3.15Å; E475-I477 VanDerWaalsContact C-N 3.3Å; E475-I477 PolarHBondContact O-N 3.37Å; E475-K478 WeakPolarHBondContact O-CB 3.41Å; E475-K478 PolarHBondContact O-N 2.94Å
476	K	86.6	Confident	92.9	Very high	131 Å²	131	70.4 Å²	70.4	57%	0.57	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-27	178.9	-66.7	-178.8	-174.2	167.1	0	113.2	A251 D473 L474	A251-K476 HydrophobicContact CB-CB 3.9Å; A251-K476 HydrophobicContact CB-CD 4.19Å; A251-K476 HydrophobicContact CB-CG 4.15Å; D473-K476 HydrophobicContact CB-CD 4.02Å; D473-K476 HydrophobicContact CB-CG 4.17Å; D473-K476 PolarHBondContact O-N 2.88Å; D473-K476 VanDerWaalsContact O-N 3.13Å; D473-K476 WeakPolarHBondContact OD2-CE 3.42Å; D473-K476 IonicContact OD2-NZ 2.73Å; L474-K476 VanDerWaalsContact C-N 3.3Å; L474-K476 PolarHBondContact O-N 3.48Å
477	I	88.6	Confident	92.9	Very high	8 Å²	8	71.6 Å²	71.6	4%	0.041	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	14.5	179.6	62.3	163.9	0	0	0	112.5	F426 A467 V472 L474 E475 A479 Y480 I481	F426-I477 HydrophobicContact CE2-CD1 3.98Å; F426-I477 HydrophobicContact CZ-CD1 4.09Å; A467-I477 HydrophobicContact CB-CD1 4.06Å; V472-I477 HydrophobicContact CG1-CD1 3.77Å; V472-I477 HydrophobicContact CG1-CG1 4.25Å; V472-I477 HydrophobicContact CG1-CG2 4.3Å; L474-I477 HydrophobicContact CD2-CD1 4.49Å; L474-I477 CarbonylContact O-C 3.56Å; L474-I477 PolarHBondContact O-N 3.07Å; E475-I477 VanDerWaalsContact C-N 3.3Å; E475-I477 PolarHBondContact O-N 3.37Å; I477-A479 VanDerWaalsContact C-N 3.32Å; I477-A479 PolarHBondContact O-N 3.34Å; I477-Y480 HydrophobicContact CB-CD1 4.43Å; I477-Y480 WeakPolarHBondContact O-CA 3.3Å; I477-Y480 WeakPolarHBondContact O-CB 3.41Å; I477-Y480 PolarHBondContact O-N 2.94Å; I477-I481 HydrophobicContact CD1-CD1 3.78Å; I477-I481 HydrophobicContact CD1-CG1 4.15Å; I477-I481 HydrophobicContact CG1-CD1 3.89Å; I477-I481 HydrophobicContact CG1-CG1 4.32Å; I477-I481 PolarHBondContact O-N 3.45Å
478	K	93.2	Very high	93.2	Very high	98 Å²	98	72.3 Å²	72.3	43%	0.426	36%	0.359	S	S	.	.	H	α-helix	trans	-53.9	-46.8	-176.7	-178.3	-178.9	-177.2	-59.1	0	112.4	L474 E475 Y480 I481 D482	L474-K478 WeakPolarHBondContact O-CA 3.49Å; L474-K478 PolarHBondContact O-N 2.93Å; E475-K478 WeakPolarHBondContact O-CB 3.41Å; E475-K478 PolarHBondContact O-N 2.94Å; K478-Y480 VanDerWaalsContact C-N 3.27Å; K478-Y480 PolarHBondContact O-N 2.89Å; K478-I481 PolarHBondContact O-N 2.95Å; K478-D482 IonicContact NZ-OD2 2.66Å; K478-D482 PolarHBondContact NZ-OD2 2.9Å; K478-D482 VanDerWaalsContact O-CB 3.32Å; K478-D482 WeakPolarHBondContact O-CB 3.18Å; K478-D482 PolarHBondContact O-N 2.95Å
479	A	93.2	Very high	93.4	Very high	72 Å²	72	70.6 Å²	70.6	60%	0.595	35%	0.349	S	S	*	.	H	α-helix	trans	-62	-34.5	179.1	0	0	0	0	0	112.9	I477 A483	I477-A479 VanDerWaalsContact C-N 3.32Å; I477-A479 PolarHBondContact O-N 3.34Å; A479-A483 PolarHBondContact O-N 3Å
480	Y	94.7	Very high	93.6	Very high	6 Å²	6	66.7 Å²	66.7	2%	0.024	34%	0.335	C	S	.	.	H	α-helix	trans	-70.2	-47.8	175.5	164	-106.4	0	0	0	110.9	L277 Q280 M281 F426 L463 I477 K478 D482 A483 F484	L277-Y480 HydrophobicContact CB-CD2 3.91Å; L277-Y480 HydrophobicContact CB-CE2 4.34Å; L277-Y480 HydrophobicContact CB-CG 4.44Å; L277-Y480 HydrophobicContact CD2-CD1 4.02Å; L277-Y480 HydrophobicContact CD2-CD2 3.76Å; L277-Y480 HydrophobicContact CD2-CE1 3.95Å; L277-Y480 HydrophobicContact CD2-CE2 3.69Å; L277-Y480 HydrophobicContact CD2-CG 3.93Å; L277-Y480 HydrophobicContact CG-CD2 4.32Å; Q280-Y480 HydrophobicContact CB-CE2 4.04Å; Q280-Y480 VanDerWaalsContact CD-OH 3.27Å; Q280-Y480 PolarHBondContact NE2-OH 3.26Å; Q280-Y480 PolarHBondContact OE1-OH 2.93Å; M281-Y480 HydrophobicContact CG-CD2 4.21Å; F426-Y480 HydrophobicContact CE2-CE1 4.14Å; F426-Y480 HydrophobicContact CZ-CE1 4.21Å; L463-Y480 HydrophobicContact CD1-CE1 4.19Å; L463-Y480 HydrophobicContact CD2-CD1 4.37Å; L463-Y480 HydrophobicContact CD2-CE1 3.72Å; L463-Y480 HydrophobicContact CG-CE1 4.39Å; I477-Y480 HydrophobicContact CB-CD1 4.43Å; I477-Y480 WeakPolarHBondContact O-CA 3.3Å; I477-Y480 WeakPolarHBondContact O-CB 3.41Å; I477-Y480 PolarHBondContact O-N 2.94Å; K478-Y480 VanDerWaalsContact C-N 3.27Å; K478-Y480 PolarHBondContact O-N 2.89Å; Y480-D482 VanDerWaalsContact C-N 3.33Å; Y480-D482 PolarHBondContact O-N 3.4Å; Y480-A483 WeakPolarHBondContact O-CB 3.46Å; Y480-A483 PolarHBondContact O-N 2.88Å; Y480-F484 HydrophobicContact CD1-CE2 4.18Å; Y480-F484 AromaticContact CD2-CE2 3.64Å; Y480-F484 HydrophobicContact CD2-CE2 3.64Å; Y480-F484 HydrophobicContact CD2-CZ 4.1Å; Y480-F484 AromaticContact CE1-CE2 3.88Å; Y480-F484 HydrophobicContact CE1-CE2 3.88Å; Y480-F484 HydrophobicContact CE1-CZ 4.49Å; Y480-F484 AromaticContact CE2-CE2 3.28Å; Y480-F484 HydrophobicContact CE2-CE2 3.28Å; Y480-F484 AromaticContact CE2-CZ 3.37Å; Y480-F484 HydrophobicContact CE2-CZ 3.37Å; Y480-F484 HydrophobicContact CG-CE2 4.08Å; Y480-F484 AromaticContact CZ-CE2 3.39Å; Y480-F484 AromaticContact CZ-CZ 3.6Å; Y480-F484 WeakPolarHBondContact O-CD2 3.25Å; Y480-F484 WeakPolarHBondContact O-CE2 3.44Å
481	I	95.8	Very high	94	Very high	7 Å²	7	63.7 Å²	63.7	4%	0.036	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-42.3	176.7	-64.4	172.2	0	0	0	111.1	P460 L463 L474 I477 K478 A483 F484	P460-I481 HydrophobicContact CB-CG2 4.24Å; L463-I481 HydrophobicContact CD2-CG1 4.13Å; L463-I481 HydrophobicContact CG-CG1 4.49Å; L474-I481 HydrophobicContact CD2-CD1 3.85Å; I477-I481 HydrophobicContact CD1-CD1 3.78Å; I477-I481 HydrophobicContact CD1-CG1 4.15Å; I477-I481 HydrophobicContact CG1-CD1 3.89Å; I477-I481 HydrophobicContact CG1-CG1 4.32Å; I477-I481 PolarHBondContact O-N 3.45Å; K478-I481 PolarHBondContact O-N 2.95Å; I481-A483 PolarHBondContact O-N 3.48Å; I481-F484 PolarHBondContact O-N 3.32Å; I481-F484 VanDerWaalsContact O-N 3.1Å
482	D	97	Very high	94.4	Very high	26 Å²	26	54.4 Å²	54.4	14%	0.139	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-32.4	-179.4	-75.3	-16.1	0	0	0	112.3	K478 Y480 F484 R485 Y486	K478-D482 IonicContact NZ-OD2 2.66Å; K478-D482 PolarHBondContact NZ-OD2 2.9Å; K478-D482 VanDerWaalsContact O-CB 3.32Å; K478-D482 WeakPolarHBondContact O-CB 3.18Å; K478-D482 PolarHBondContact O-N 2.95Å; Y480-D482 VanDerWaalsContact C-N 3.33Å; Y480-D482 PolarHBondContact O-N 3.4Å; D482-F484 PolarHBondContact O-N 2.67Å; D482-R485 WeakPolarHBondContact O-CB 3.4Å; D482-R485 PolarHBondContact O-N 3.21Å; D482-R485 WeakPolarHBondContact OD1-CD 3.43Å; D482-R485 IonicContact OD1-NE 3.65Å; D482-R485 PolarHBondContact OD1-NE 3.34Å; D482-Y486 WeakPolarHBondContact O-CD2 3.47Å; D482-Y486 VanDerWaalsContact O-CE2 3.27Å; D482-Y486 WeakPolarHBondContact O-CE2 3.33Å
483	A	97.2	Very high	95	Very high	12 Å²	12	53.6 Å²	53.6	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-34.7	174.9	0	0	0	0	0	112.6	M281 A284 A479 Y480 I481	M281-A483 HydrophobicContact CG-CB 3.89Å; A284-A483 HydrophobicContact CB-CB 4.29Å; A479-A483 PolarHBondContact O-N 3Å; Y480-A483 WeakPolarHBondContact O-CB 3.46Å; Y480-A483 PolarHBondContact O-N 2.88Å; I481-A483 PolarHBondContact O-N 3.48Å
484	F	97.5	Very high	95.4	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-77.4	-21.5	177.3	-57.7	-82.8	0	0	0	113.4	Q280 P460 L463 Y480 I481 D482 Y486 G487 C488 H491	Q280-F484 HydrophobicContact CB-CE1 4.43Å; Q280-F484 HydrophobicContact CB-CZ 3.96Å; P460-F484 HydrophobicContact CB-CB 4.29Å; L463-F484 HydrophobicContact CD2-CD2 3.59Å; L463-F484 HydrophobicContact CD2-CE2 3.64Å; L463-F484 HydrophobicContact CD2-CG 4.34Å; L463-F484 HydrophobicContact CD2-CZ 4.44Å; Y480-F484 HydrophobicContact CD1-CE2 4.18Å; Y480-F484 AromaticContact CD2-CE2 3.64Å; Y480-F484 HydrophobicContact CD2-CE2 3.64Å; Y480-F484 HydrophobicContact CD2-CZ 4.1Å; Y480-F484 AromaticContact CE1-CE2 3.88Å; Y480-F484 HydrophobicContact CE1-CE2 3.88Å; Y480-F484 HydrophobicContact CE1-CZ 4.49Å; Y480-F484 AromaticContact CE2-CE2 3.28Å; Y480-F484 HydrophobicContact CE2-CE2 3.28Å; Y480-F484 AromaticContact CE2-CZ 3.37Å; Y480-F484 HydrophobicContact CE2-CZ 3.37Å; Y480-F484 HydrophobicContact CG-CE2 4.08Å; Y480-F484 AromaticContact CZ-CE2 3.39Å; Y480-F484 AromaticContact CZ-CZ 3.6Å; Y480-F484 WeakPolarHBondContact O-CD2 3.25Å; Y480-F484 WeakPolarHBondContact O-CE2 3.44Å; I481-F484 PolarHBondContact O-N 3.32Å; I481-F484 VanDerWaalsContact O-N 3.1Å; D482-F484 PolarHBondContact O-N 2.67Å; F484-Y486 PolarHBondContact O-N 2.98Å; F484-G487 PolarHBondContact O-N 3.42Å; F484-C488 HydrophobicContact CB-CB 4.31Å; F484-C488 HydrophobicContact CD1-CB 3.55Å; F484-C488 VanDerWaalsContact CD1-SG 3.51Å; F484-C488 HydrophobicContact CE1-CB 4.35Å; F484-C488 HydrophobicContact CG-CB 4.35Å; F484-H491 AromaticContact CE1-CE1 3.61Å; F484-H491 AromaticContact CE1-NE2 3.93Å
485	R	97.6	Very high	95.7	Very high	147 Å²	147	48.1 Å²	48.1	56%	0.555	25%	0.252	S	S	*	.	H	α-helix	trans	-67.8	-19.7	177.6	-61.9	-179	-176.4	-83.2	-5.2	112.7	P460 D482 G487	P460-R485 HydrophobicContact CB-CG 3.97Å; P460-R485 HydrophobicContact CG-CG 4.15Å; D482-R485 WeakPolarHBondContact O-CB 3.4Å; D482-R485 PolarHBondContact O-N 3.21Å; D482-R485 WeakPolarHBondContact OD1-CD 3.43Å; D482-R485 IonicContact OD1-NE 3.65Å; D482-R485 PolarHBondContact OD1-NE 3.34Å; R485-G487 PolarHBondContact O-N 3.16Å
486	Y	96.7	Very high	96.1	Very high	186 Å²	186	41.6 Å²	41.6	73%	0.729	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	8.1	179.4	-48.5	-41.3	0	0	0	113.1	D482 F484	D482-Y486 WeakPolarHBondContact O-CD2 3.47Å; D482-Y486 VanDerWaalsContact O-CE2 3.27Å; D482-Y486 WeakPolarHBondContact O-CE2 3.33Å; F484-Y486 PolarHBondContact O-N 2.98Å
487	G	95.3	Very high	96.6	Very high	49 Å²	49	36 Å²	36	51%	0.505	20%	0.201	S	C	.	.			trans	90.9	112	-174.9	0	0	0	0	0	110.2	F484 R485	F484-G487 PolarHBondContact O-N 3.42Å; R485-G487 PolarHBondContact O-N 3.16Å
488	C	97.9	Very high	97	Very high	15 Å²	15	35.9 Å²	35.9	10%	0.101	20%	0.201	C	C	.	.			trans	-128.1	129.4	176.3	-176.8	0	0	0	0	109.3	A284 H458 F484 H491	A284-C488 HydrophobicContact CB-CB 4.06Å; H458-C488 HydrophobicContact CB-CB 4.44Å; H458-C488 PolarHBondContact CD2-O 2.93Å; F484-C488 HydrophobicContact CB-CB 4.31Å; F484-C488 HydrophobicContact CD1-CB 3.55Å; F484-C488 VanDerWaalsContact CD1-SG 3.51Å; F484-C488 HydrophobicContact CE1-CB 4.35Å; F484-C488 HydrophobicContact CG-CB 4.35Å; C488-H491 VanDerWaalsContact SG-CE1 3.55Å
489	P	98.4	Very high	97.3	Very high	46 Å²	46	31.5 Å²	31.5	30%	0.299	18%	0.182	S	C	.	.			trans	-68.4	158.7	177.1	29.8	-35.4	0	0	0	111.2	I283 A319 H491	I283-P489 HydrophobicContact CG2-CG 3.76Å; A319-P489 HydrophobicContact CB-CB 4.17Å; A319-P489 HydrophobicContact CB-CG 3.85Å; P489-H491 PolarHBondContact O-N 3.32Å; P489-H491 PolarHBondContact O-ND1 2.76Å
490	P	98.6	Very high	97.5	Very high	38 Å²	38	29.9 Å²	29.9	25%	0.247	16%	0.16	C	C	.	.			trans	-61.3	132.7	169.5	28.2	-34.8	0	0	0	110.3	A319 F320	A319-P490 WeakPolarHBondContact CA-O 3.25Å; F320-P490 HydrophobicContact CD2-CB 4.47Å; F320-P490 HydrophobicContact CE1-CB 4.14Å; F320-P490 HydrophobicContact CE2-CB 3.84Å; F320-P490 HydrophobicContact CE2-CG 4.27Å; F320-P490 HydrophobicContact CZ-CB 3.66Å; F320-P490 PolarHBondContact N-O 3.07Å
491	H	98.8	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	156.2	-173.6	57.3	-77.5	0	0	0	112.2	I283 E317 M318 F320 R456 F484 C488 P489	I283-H491 HydrophobicContact CG1-CB 4.41Å; I283-H491 HydrophobicContact CG2-CB 3.82Å; E317-H491 IonicContact OE1-CD2 3.03Å; M318-H491 VanDerWaalsContact O-CA 3.23Å; M318-H491 WeakPolarHBondContact O-CA 3.32Å; M318-H491 WeakPolarHBondContact O-CB 3.47Å; F320-H491 VanDerWaalsContact CE1-C 3.49Å; R456-H491 WeakPolarHBondContact CB-NE2 3.3Å; R456-H491 PolarHBondContact N-O 3.41Å; F484-H491 AromaticContact CE1-CE1 3.61Å; F484-H491 AromaticContact CE1-NE2 3.93Å; C488-H491 VanDerWaalsContact SG-CE1 3.55Å; P489-H491 PolarHBondContact O-N 3.32Å; P489-H491 PolarHBondContact O-ND1 2.76Å
492	A	98.8	Very high	97.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	163	176.3	0	0	0	0	0	109.7	E317 M318 F320 V327 A454 Q455	E317-A492 WeakPolarHBondContact OE1-CA 3.39Å; M318-A492 PolarHBondContact N-O 3.27Å; M318-A492 PolarHBondContact O-N 2.95Å; F320-A492 HydrophobicContact CD1-CB 4.2Å; F320-A492 HydrophobicContact CE1-CB 4.11Å; V327-A492 HydrophobicContact CB-CB 3.94Å; V327-A492 HydrophobicContact CG1-CB 4.12Å; V327-A492 HydrophobicContact CG2-CB 3.88Å; A454-A492 VanDerWaalsContact O-CA 3.26Å; A454-A492 WeakPolarHBondContact O-CA 3.39Å; A454-A492 WeakPolarHBondContact O-CB 3.43Å; Q455-A492 HydrophobicContact CB-CB 4.36Å
493	G	98.5	Very high	97.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	-173.4	-179.4	0	0	0	0	0	111.7	I316 E317 Y441 G453 A454	I316-G493 VanDerWaalsContact O-CA 3.26Å; I316-G493 WeakPolarHBondContact O-CA 3.49Å; E317-G493 PolarHBondContact OE1-N 2.99Å; E317-G493 VanDerWaalsContact OE1-N 3.16Å; Y441-G493 PolarHBondContact OH-O 2.94Å; Y441-G493 VanDerWaalsContact OH-O 3.08Å; G453-G493 CarbonylContact C-O 3.44Å; G453-G493 WeakPolarHBondContact CA-O 3.29Å; A454-G493 PolarHBondContact N-O 2.96Å; A454-G493 PolarHBondContact O-N 3.44Å
494	G	97.9	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	170.8	177.2	0	0	0	0	0	111.5	K279 I316 S452	K279-G494 PolarHBondContact NZ-O 3.34Å; I316-G494 PolarHBondContact N-O 3.42Å; I316-G494 PolarHBondContact O-N 2.84Å; I316-G494 VanDerWaalsContact O-N 3.1Å; S452-G494 VanDerWaalsContact O-CA 3.28Å; S452-G494 WeakPolarHBondContact O-CA 3.37Å
495	G	97.1	Very high	97.9	Very high	26 Å²	26	28.2 Å²	28.2	27%	0.268	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.7	176.4	0	0	0	0	0	110.3	D315 M451 S452	D315-G495 WeakPolarHBondContact OD1-CA 3.45Å; M451-G495 WeakPolarHBondContact CA-O 3.33Å; M451-G495 WeakPolarHBondContact CG-O 3.32Å; S452-G495 PolarHBondContact O-N 3.32Å
496	I	97.7	Very high	97.9	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.015	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.6	-176.5	-52.4	167	0	0	0	108.4	F231 G313 L314 M334 F335 M451 V501	F231-I496 HydrophobicContact CD2-CD1 4.39Å; F231-I496 HydrophobicContact CE2-CD1 4.07Å; G313-I496 CarbonylContact C-O 3.54Å; G313-I496 WeakPolarHBondContact CA-O 3.17Å; L314-I496 HydrophobicContact CB-CB 4.14Å; L314-I496 HydrophobicContact CD1-CG2 4.48Å; L314-I496 PolarHBondContact N-O 3.28Å; L314-I496 WeakPolarHBondContact O-CB 3.41Å; L314-I496 PolarHBondContact O-N 3.01Å; M334-I496 HydrophobicContact CE-CD1 4.13Å; M334-I496 HydrophobicContact SD-CD1 4.43Å; F335-I496 HydrophobicContact CE1-CD1 4.13Å; F335-I496 HydrophobicContact CE1-CG2 4.39Å; F335-I496 HydrophobicContact CE2-CD1 3.93Å; F335-I496 HydrophobicContact CE2-CG1 4.46Å; F335-I496 HydrophobicContact CZ-CD1 3.4Å; F335-I496 HydrophobicContact CZ-CG1 3.83Å; F335-I496 HydrophobicContact CZ-CG2 4.1Å; M451-I496 HydrophobicContact CB-CG1 4.1Å; M451-I496 HydrophobicContact CE-CD1 3.74Å; M451-I496 HydrophobicContact CE-CG1 3.5Å; M451-I496 VanDerWaalsContact CE-CG1 3.5Å; M451-I496 HydrophobicContact CG-CG1 3.83Å; M451-I496 HydrophobicContact SD-CD1 4.21Å; M451-I496 HydrophobicContact SD-CG1 3.79Å; I496-V501 HydrophobicContact CG2-CG2 3.26Å
497	G	97.2	Very high	97.9	Very high	12 Å²	12	14.3 Å²	14.3	12%	0.124	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.2	169.2	0	0	0	0	0	111.3	E499 R500 V501	G497-E499 PolarHBondContact O-N 3.35Å; G497-R500 PolarHBondContact O-N 3.49Å; G497-V501 PolarHBondContact O-N 2.8Å
498	L	98.5	Very high	97.9	Very high	6 Å²	6	12.4 Å²	12.4	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-56.3	-49.6	-178.2	172.1	59.5	0	0	0	112	E224 V227 V228 V312 L314 R500 V501 T502	E224-L498 HydrophobicContact CG-CD1 3.82Å; E224-L498 HydrophobicContact CG-CD2 3.9Å; E224-L498 HydrophobicContact CG-CG 3.77Å; E224-L498 WeakPolarHBondContact OE1-CD2 3.43Å; V227-L498 HydrophobicContact CB-CD1 3.91Å; V227-L498 HydrophobicContact CG1-CD1 3.49Å; V227-L498 VanDerWaalsContact CG1-CD1 3.49Å; V228-L498 HydrophobicContact CG2-CD1 3.77Å; V228-L498 HydrophobicContact CG2-CD2 3.81Å; V228-L498 HydrophobicContact CG2-CG 4.46Å; V312-L498 HydrophobicContact CB-CB 3.99Å; V312-L498 HydrophobicContact CB-CD2 3.89Å; V312-L498 HydrophobicContact CG1-CB 4.21Å; V312-L498 HydrophobicContact CG1-CD2 3.81Å; V312-L498 HydrophobicContact CG2-CD2 4.45Å; V312-L498 WeakPolarHBondContact O-CB 3.13Å; V312-L498 PolarHBondContact O-N 3.29Å; L314-L498 HydrophobicContact CD1-CB 4.43Å; L314-L498 HydrophobicContact CD1-CD1 4.23Å; L314-L498 HydrophobicContact CD2-CB 4.27Å; L314-L498 HydrophobicContact CG-CB 4.24Å; L498-R500 PolarHBondContact O-N 3.3Å; L498-V501 PolarHBondContact O-N 3.25Å; L498-T502 WeakPolarHBondContact O-CB 3.32Å; L498-T502 PolarHBondContact O-N 3Å; L498-T502 PolarHBondContact O-OG1 2.95Å
499	E	98.6	Very high	97.7	Very high	7 Å²	7	16.2 Å²	16.2	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-64.3	-35.2	-178.1	-60.9	92.9	148.9	0	0	110.7	L308 F311 V312 G497 M503 I511 T514	L308-E499 HydrophobicContact CD1-CB 4.43Å; L308-E499 HydrophobicContact CD1-CG 4.32Å; F311-E499 VanDerWaalsContact CA-OE1 3.24Å; F311-E499 WeakPolarHBondContact CA-OE1 3.49Å; F311-E499 WeakPolarHBondContact CB-OE2 3.38Å; V312-E499 PolarHBondContact N-OE1 3.39Å; V312-E499 PolarHBondContact N-OE2 3.03Å; G497-E499 PolarHBondContact O-N 3.35Å; E499-M503 WeakPolarHBondContact O-CB 3.32Å; E499-M503 PolarHBondContact O-N 3.26Å; E499-I511 HydrophobicContact CB-CD1 4.16Å; E499-I511 HydrophobicContact CB-CG1 3.8Å; E499-T514 WeakPolarHBondContact CG-O 3.46Å; E499-T514 WeakPolarHBondContact O-CB 3.17Å; E499-T514 PolarHBondContact O-OG1 3.13Å
500	R	97.5	Very high	97.6	Very high	37 Å²	37	14.9 Å²	14.9	14%	0.14	9%	0.094	C	C	.	.	H	α-helix	trans	-73.3	-42.3	-179.4	-162.9	170.4	-169.7	-178.4	-5.6	112	E448 E449 I450 G497 L498 T502 M503 L504 I511	E448-R500 IonicContact OE2-NH2 3.12Å; E448-R500 PolarHBondContact OE2-NH2 3.45Å; E449-R500 WeakPolarHBondContact O-CD 3.03Å; E449-R500 PolarHBondContact O-NE 3.39Å; E449-R500 PolarHBondContact O-NH1 3.35Å; E449-R500 VanDerWaalsContact O-NH1 3.09Å; E449-R500 PolarHBondContact O-NH2 3.41Å; I450-R500 HydrophobicContact CG2-CG 4.44Å; G497-R500 PolarHBondContact O-N 3.49Å; L498-R500 PolarHBondContact O-N 3.3Å; R500-T502 VanDerWaalsContact C-N 3.34Å; R500-M503 HydrophobicContact CG-CE 4.3Å; R500-M503 PolarHBondContact O-N 3.2Å; R500-L504 HydrophobicContact CG-CD1 3.9Å; R500-L504 WeakPolarHBondContact O-CB 3.37Å; R500-L504 WeakPolarHBondContact O-CG 3.44Å; R500-L504 PolarHBondContact O-N 3.41Å; R500-I511 HydrophobicContact CB-CD1 4.17Å
501	V	98.4	Very high	97.6	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-59.7	-47.8	172.4	170	0	0	0	0	110.4	V227 F335 M338 M445 I450 I496 G497 L498 M503 L504 F505	V227-V501 HydrophobicContact CG1-CG1 4.16Å; V227-V501 HydrophobicContact CG2-CG1 4.43Å; F335-V501 HydrophobicContact CE1-CG2 4.22Å; M338-V501 HydrophobicContact SD-CG1 4.04Å; M445-V501 HydrophobicContact CE-CG1 4.39Å; M445-V501 HydrophobicContact SD-CB 4.47Å; M445-V501 HydrophobicContact SD-CG1 4.13Å; M445-V501 HydrophobicContact SD-CG2 4.31Å; I450-V501 HydrophobicContact CB-CG2 4.22Å; I450-V501 HydrophobicContact CD1-CG2 4.33Å; I450-V501 HydrophobicContact CG2-CG2 4.36Å; I496-V501 HydrophobicContact CG2-CG2 3.26Å; G497-V501 PolarHBondContact O-N 2.8Å; L498-V501 PolarHBondContact O-N 3.25Å; V501-M503 VanDerWaalsContact C-N 3.35Å; V501-M503 PolarHBondContact O-N 2.96Å; V501-L504 PolarHBondContact O-N 2.78Å; V501-F505 VanDerWaalsContact O-CB 3.24Å; V501-F505 WeakPolarHBondContact O-CB 3.26Å; V501-F505 PolarHBondContact O-N 2.96Å
502	T	98.5	Very high	97.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.9	-44	179.2	-53.9	0	0	0	0	111.2	I220 I223 E224 L498 R500 L506 T514	I220-T502 HydrophobicContact CG2-CG2 4.48Å; I223-T502 HydrophobicContact CG2-CG2 4.44Å; E224-T502 HydrophobicContact CB-CG2 4.14Å; L498-T502 WeakPolarHBondContact O-CB 3.32Å; L498-T502 PolarHBondContact O-N 3Å; L498-T502 PolarHBondContact O-OG1 2.95Å; R500-T502 VanDerWaalsContact C-N 3.34Å; T502-L506 HydrophobicContact CG2-CD1 3.88Å; T502-L506 WeakPolarHBondContact O-CB 3.44Å; T502-L506 VanDerWaalsContact O-CG 3.28Å; T502-L506 WeakPolarHBondContact O-CG 3.36Å; T502-L506 PolarHBondContact O-N 3.33Å; T502-T514 HydrophobicContact CG2-CG2 3.79Å
503	M	98.3	Very high	97.4	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-58.4	-51.5	177.9	-179.3	-170.6	78.8	0	0	111.2	E499 R500 V501 L506 G507 L508 N510 I511 T514	E499-M503 WeakPolarHBondContact O-CB 3.32Å; E499-M503 PolarHBondContact O-N 3.26Å; R500-M503 HydrophobicContact CG-CE 4.3Å; R500-M503 PolarHBondContact O-N 3.2Å; V501-M503 VanDerWaalsContact C-N 3.35Å; V501-M503 PolarHBondContact O-N 2.96Å; M503-L506 PolarHBondContact O-N 2.81Å; M503-G507 PolarHBondContact O-N 2.69Å; M503-L508 HydrophobicContact CG-CB 3.95Å; M503-L508 VanDerWaalsContact CG-O 3.24Å; M503-L508 WeakPolarHBondContact CG-O 3.47Å; M503-L508 PolarHBondContact O-N 2.97Å; M503-N510 VanDerWaalsContact SD-C 3.59Å; M503-I511 WeakPolarHBondContact SD-CA 3.23Å; M503-I511 HydrophobicContact SD-CB 3.74Å; M503-I511 HydrophobicContact SD-CG1 4.37Å; M503-I511 PolarHBondContact SD-N 2.95Å; M503-T514 HydrophobicContact CB-CG2 4.1Å
504	L	97.9	Very high	97.4	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-76.2	-33.8	-174	-65.8	167.2	0	0	0	112.6	M445 R446 E448 I450 R500 V501 L506 G507	M445-L504 HydrophobicContact CB-CB 3.83Å; M445-L504 HydrophobicContact CB-CD1 4.05Å; M445-L504 HydrophobicContact CE-CB 4.27Å; R446-L504 VanDerWaalsContact CD-O 3.24Å; R446-L504 WeakPolarHBondContact CD-O 3.44Å; R446-L504 PolarHBondContact NE-O 3.12Å; E448-L504 HydrophobicContact CB-CD1 3.77Å; E448-L504 HydrophobicContact CB-CD2 4.01Å; E448-L504 HydrophobicContact CG-CD2 4.18Å; I450-L504 HydrophobicContact CG2-CD1 3.38Å; R500-L504 HydrophobicContact CG-CD1 3.9Å; R500-L504 WeakPolarHBondContact O-CB 3.37Å; R500-L504 WeakPolarHBondContact O-CG 3.44Å; R500-L504 PolarHBondContact O-N 3.41Å; V501-L504 PolarHBondContact O-N 2.78Å; L504-L506 VanDerWaalsContact C-N 3.3Å; L504-L506 PolarHBondContact O-N 3.39Å; L504-G507 PolarHBondContact O-N 3.32Å
505	F	98.4	Very high	97.4	Very high	12 Å²	12	15.7 Å²	15.7	5%	0.053	10%	0.095	C	C	.	.	H	α-helix	trans	-58.1	-47.1	172.4	-177.4	-103.9	0	0	0	110.6	I223 F339 L342 Q343 I350 F362 M445 V501 G507	I223-F505 HydrophobicContact CG2-CD1 4.42Å; F339-F505 HydrophobicContact CB-CE2 4.42Å; F339-F505 AromaticContact CD1-CD2 3.88Å; F339-F505 HydrophobicContact CD1-CD2 3.88Å; F339-F505 HydrophobicContact CD1-CE2 4.02Å; F339-F505 HydrophobicContact CE1-CD2 4.32Å; L342-F505 HydrophobicContact CB-CE1 3.9Å; L342-F505 HydrophobicContact CB-CE2 4.38Å; L342-F505 HydrophobicContact CB-CZ 3.62Å; L342-F505 HydrophobicContact CD1-CD1 4.05Å; L342-F505 HydrophobicContact CD1-CD2 4.33Å; L342-F505 HydrophobicContact CD1-CE1 3.88Å; L342-F505 HydrophobicContact CD1-CE2 4.17Å; L342-F505 HydrophobicContact CD1-CG 4.28Å; L342-F505 HydrophobicContact CD1-CZ 3.93Å; L342-F505 HydrophobicContact CG-CE1 4.5Å; L342-F505 HydrophobicContact CG-CZ 4.45Å; Q343-F505 HydrophobicContact CG-CZ 4.21Å; I350-F505 HydrophobicContact CD1-CE1 4.02Å; I350-F505 HydrophobicContact CD1-CZ 4.32Å; I350-F505 HydrophobicContact CG1-CE1 4.38Å; F362-F505 HydrophobicContact CB-CD2 4.01Å; F362-F505 HydrophobicContact CB-CE2 4.02Å; F362-F505 AromaticContact CD1-CD2 3.94Å; F362-F505 HydrophobicContact CD1-CD2 3.94Å; F362-F505 HydrophobicContact CD1-CE2 4.12Å; F362-F505 HydrophobicContact CD2-CD2 4.42Å; F362-F505 AromaticContact CG-CD2 3.86Å; F362-F505 HydrophobicContact CG-CD2 3.86Å; F362-F505 HydrophobicContact CG-CE2 4.2Å; M445-F505 HydrophobicContact CE-CB 3.77Å; M445-F505 HydrophobicContact CE-CD2 4.44Å; V501-F505 VanDerWaalsContact O-CB 3.24Å; V501-F505 WeakPolarHBondContact O-CB 3.26Å; V501-F505 PolarHBondContact O-N 2.96Å; F505-G507 VanDerWaalsContact C-N 3.32Å; F505-G507 PolarHBondContact O-N 3.25Å
506	L	97.5	Very high	97.5	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.052	10%	0.101	C	C	.	.	H	α-helix	trans	-79.8	-10.5	-179.9	-62.8	174.6	0	0	0	113.8	I220 I223 I353 S359 T502 M503 L504 L508	I220-L506 HydrophobicContact CG1-CD1 4.12Å; I223-L506 HydrophobicContact CD1-CD2 3.61Å; I223-L506 HydrophobicContact CG2-CD1 4.43Å; I223-L506 HydrophobicContact CG2-CD2 4.34Å; I353-L506 HydrophobicContact CD1-CD1 3.87Å; I353-L506 HydrophobicContact CD1-CD2 3.84Å; I353-L506 HydrophobicContact CD1-CG 4.49Å; S359-L506 WeakPolarHBondContact CB-O 3.42Å; S359-L506 PolarHBondContact OG-O 2.8Å; T502-L506 HydrophobicContact CG2-CD1 3.88Å; T502-L506 WeakPolarHBondContact O-CB 3.44Å; T502-L506 VanDerWaalsContact O-CG 3.28Å; T502-L506 WeakPolarHBondContact O-CG 3.36Å; T502-L506 PolarHBondContact O-N 3.33Å; M503-L506 PolarHBondContact O-N 2.81Å; L504-L506 VanDerWaalsContact C-N 3.3Å; L504-L506 PolarHBondContact O-N 3.39Å; L506-L508 VanDerWaalsContact C-N 3.32Å; L506-L508 HydrophobicContact CB-CD1 4.08Å; L506-L508 HydrophobicContact CB-CG 3.82Å; L506-L508 HydrophobicContact CD1-CD1 3.98Å
507	G	96.2	Very high	97.5	Very high	30 Å²	30	22.7 Å²	22.7	31%	0.309	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	33.2	-175.2	0	0	0	0	0	113.6	S359 M503 L504 F505	S359-G507 WeakPolarHBondContact OG-CA 3.4Å; M503-G507 PolarHBondContact O-N 2.69Å; L504-G507 PolarHBondContact O-N 3.32Å; F505-G507 VanDerWaalsContact C-N 3.32Å; F505-G507 PolarHBondContact O-N 3.25Å
508	L	96.2	Very high	97.5	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.052	12%	0.115	C	C	.	.			trans	-76.6	147.2	174.8	-59.2	174	0	0	0	110.4	I220 I353 Y357 M503 L506 K513 T514	I220-L508 HydrophobicContact CD1-CD1 3.96Å; I220-L508 HydrophobicContact CG1-CD1 4.34Å; I353-L508 HydrophobicContact CG2-CD2 4.34Å; Y357-L508 HydrophobicContact CD2-CD2 3.4Å; Y357-L508 HydrophobicContact CE2-CD2 4.14Å; Y357-L508 HydrophobicContact CG-CD2 3.7Å; M503-L508 HydrophobicContact CG-CB 3.95Å; M503-L508 VanDerWaalsContact CG-O 3.24Å; M503-L508 WeakPolarHBondContact CG-O 3.47Å; M503-L508 PolarHBondContact O-N 2.97Å; L506-L508 VanDerWaalsContact C-N 3.32Å; L506-L508 HydrophobicContact CB-CD1 4.08Å; L506-L508 HydrophobicContact CB-CG 3.82Å; L506-L508 HydrophobicContact CD1-CD1 3.98Å; L508-K513 HydrophobicContact CB-CD 4.48Å; L508-K513 HydrophobicContact CD1-CB 4.17Å; L508-K513 HydrophobicContact CD2-CD 4.43Å; L508-T514 HydrophobicContact CD1-CG2 3.5Å
509	D	93.8	Very high	97.5	Very high	94 Å²	94	23.9 Å²	23.9	50%	0.503	12%	0.121	S	C	.	.	S	Bend	trans	-85.7	-14.2	-173.9	64.6	-28	0	0	0	114.5	H305 K513	H305-D509 PolarHBondContact CD2-O 3.38Å; D509-K513 WeakPolarHBondContact OD1-CD 3.27Å; D509-K513 WeakPolarHBondContact OD1-CE 3.36Å; D509-K513 IonicContact OD1-NZ 3.59Å; D509-K513 PolarHBondContact OD1-NZ 3.05Å; D509-K513 IonicContact OD2-NZ 2.76Å
510	N	95.8	Very high	97.4	Very high	18 Å²	18	24.1 Å²	24.1	10%	0.096	12%	0.122	C	C	.	.			trans	-147.3	127.7	-175.8	-164.2	-47	0	0	0	112.5	Q201 H305 M503 R512 K513	Q201-N510 VanDerWaalsContact NE2-CG 3.29Å; Q201-N510 PolarHBondContact NE2-OD1 2.96Å; Q201-N510 PolarHBondContact OE1-ND2 2.83Å; H305-N510 HydrophobicContact CB-CB 4.37Å; H305-N510 CarbonylContact O-C 3.57Å; H305-N510 WeakPolarHBondContact O-CA 3.38Å; H305-N510 PolarHBondContact O-OD1 3.48Å; M503-N510 VanDerWaalsContact SD-C 3.59Å; N510-R512 PolarHBondContact O-N 3.35Å; N510-R512 VanDerWaalsContact O-N 3.12Å; N510-R512 WeakPolarHBondContact OD1-CB 3.49Å; N510-R512 WeakPolarHBondContact OD1-CG 3.47Å; N510-R512 PolarHBondContact OD1-N 3.1Å; N510-R512 PolarHBondContact OD1-NH1 3.28Å; N510-K513 VanDerWaalsContact O-CB 3.31Å; N510-K513 WeakPolarHBondContact O-CB 3.38Å; N510-K513 PolarHBondContact O-N 3.49Å
511	I	97.6	Very high	97.3	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.041	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61.6	-24.3	-176.8	-162.3	169.2	0	0	0	112.9	H305 R306 L308 E499 R500 M503 K513 T514 S515	H305-I511 VanDerWaalsContact O-CG2 3.31Å; H305-I511 WeakPolarHBondContact O-CG2 3.38Å; H305-I511 PolarHBondContact O-N 3.29Å; R306-I511 WeakPolarHBondContact O-CD1 3.43Å; L308-I511 HydrophobicContact CD1-CD1 4.13Å; L308-I511 HydrophobicContact CD1-CG1 4.03Å; L308-I511 HydrophobicContact CD1-CG2 4.28Å; L308-I511 HydrophobicContact CD2-CG2 3.88Å; L308-I511 HydrophobicContact CG-CD1 4.23Å; L308-I511 HydrophobicContact CG-CG1 4.32Å; L308-I511 HydrophobicContact CG-CG2 3.73Å; E499-I511 HydrophobicContact CB-CD1 4.16Å; E499-I511 HydrophobicContact CB-CG1 3.8Å; R500-I511 HydrophobicContact CB-CD1 4.17Å; M503-I511 WeakPolarHBondContact SD-CA 3.23Å; M503-I511 HydrophobicContact SD-CB 3.74Å; M503-I511 HydrophobicContact SD-CG1 4.37Å; M503-I511 PolarHBondContact SD-N 2.95Å; I511-K513 PolarHBondContact O-N 3.21Å; I511-T514 CarbonylContact O-C 3.43Å; I511-T514 PolarHBondContact O-N 2.71Å; I511-T514 PolarHBondContact O-OG1 3.32Å; I511-S515 PolarHBondContact O-N 3.1Å
512	R	97.6	Very high	97.1	Very high	14 Å²	14	32.9 Å²	32.9	5%	0.053	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-66.1	-19.1	175.4	-62.8	173.7	-177.1	71.2	-0.3	112.4	L205 R208 N303 T304 L308 N510 T514 P518 D520	L205-R512 HydrophobicContact CD1-CB 4.03Å; L205-R512 HydrophobicContact CD1-CG 4.4Å; R208-R512 PolarHBondContact NH2-O 3.26Å; R208-R512 VanDerWaalsContact NH2-O 3.17Å; N303-R512 PolarHBondContact OD1-NH2 3.06Å; T304-R512 PolarHBondContact O-NH1 3.22Å; T304-R512 PolarHBondContact O-NH2 3.34Å; L308-R512 HydrophobicContact CD2-CG 4.04Å; N510-R512 PolarHBondContact O-N 3.35Å; N510-R512 VanDerWaalsContact O-N 3.12Å; N510-R512 WeakPolarHBondContact OD1-CB 3.49Å; N510-R512 WeakPolarHBondContact OD1-CG 3.47Å; N510-R512 PolarHBondContact OD1-N 3.1Å; N510-R512 PolarHBondContact OD1-NH1 3.28Å; R512-T514 VanDerWaalsContact C-N 3.27Å; R512-P518 HydrophobicContact CB-CB 4.05Å; R512-P518 HydrophobicContact CB-CG 3.8Å; R512-P518 HydrophobicContact CG-CB 3.85Å; R512-P518 HydrophobicContact CG-CG 4.17Å; R512-P518 WeakPolarHBondContact O-CG 3.35Å; R512-D520 IonicContact CZ-OD2 3.95Å; R512-D520 VanDerWaalsContact CZ-OD2 3.22Å; R512-D520 IonicContact NE-OD2 2.82Å; R512-D520 PolarHBondContact NE-OD2 3.37Å; R512-D520 IonicContact NH2-OD2 2.89Å; R512-D520 PolarHBondContact NH2-OD2 3.33Å
513	K	97	Very high	97	Very high	23 Å²	23	34 Å²	34	10%	0.1	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-69	-29.2	173.2	-68.3	-179.3	172.3	175.2	0	111.1	D190 Y221 Y357 L508 D509 N510 I511	D190-K513 IonicContact OD2-NZ 3.42Å; D190-K513 PolarHBondContact OD2-NZ 2.79Å; Y221-K513 PolarHBondContact OH-O 3.21Å; Y357-K513 HydrophobicContact CE1-CD 4.44Å; Y357-K513 HydrophobicContact CE2-CD 4.35Å; L508-K513 HydrophobicContact CB-CD 4.48Å; L508-K513 HydrophobicContact CD1-CB 4.17Å; L508-K513 HydrophobicContact CD2-CD 4.43Å; D509-K513 WeakPolarHBondContact OD1-CD 3.27Å; D509-K513 WeakPolarHBondContact OD1-CE 3.36Å; D509-K513 IonicContact OD1-NZ 3.59Å; D509-K513 PolarHBondContact OD1-NZ 3.05Å; D509-K513 IonicContact OD2-NZ 2.76Å; N510-K513 VanDerWaalsContact O-CB 3.31Å; N510-K513 WeakPolarHBondContact O-CB 3.38Å; N510-K513 PolarHBondContact O-N 3.49Å; I511-K513 PolarHBondContact O-N 3.21Å
514	T	98.2	Very high	96.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-106.4	15.8	-178.2	54.5	0	0	0	0	113.8	I220 E499 T502 M503 L508 I511 R512	I220-T514 HydrophobicContact CG2-CG2 4.01Å; E499-T514 WeakPolarHBondContact CG-O 3.46Å; E499-T514 WeakPolarHBondContact O-CB 3.17Å; E499-T514 PolarHBondContact O-OG1 3.13Å; T502-T514 HydrophobicContact CG2-CG2 3.79Å; M503-T514 HydrophobicContact CB-CG2 4.1Å; L508-T514 HydrophobicContact CD1-CG2 3.5Å; I511-T514 CarbonylContact O-C 3.43Å; I511-T514 PolarHBondContact O-N 2.71Å; I511-T514 PolarHBondContact O-OG1 3.32Å; R512-T514 VanDerWaalsContact C-N 3.27Å
515	S	98.3	Very high	96.8	Very high	10 Å²	10	45 Å²	45	7%	0.07	23%	0.233	C	C	.	.			trans	-119.5	124.6	168.3	-179.6	0	0	0	0	109	R208 Y221 I511 F517 P518	R208-S515 PolarHBondContact NH2-O 2.94Å; Y221-S515 PolarHBondContact OH-O 3.24Å; I511-S515 PolarHBondContact O-N 3.1Å; S515-F517 VanDerWaalsContact C-N 3.33Å; S515-F517 PolarHBondContact O-N 3.27Å; S515-P518 WeakPolarHBondContact O-CD 3.37Å; S515-P518 WeakPolarHBondContact O-CG 3.06Å; S515-P518 WeakPolarHBondContact OG-CA 3.38Å
516	M	97.8	Very high	95.9	Very high	83 Å²	83	48.3 Å²	48.3	41%	0.409	26%	0.255	S	S	.	.	S	Bend	trans	-60.4	-44.9	-172.7	-169.2	172.5	-74.4	0	0	111.8	R208 L212 Y221	R208-M516 WeakPolarHBondContact CG-O 3.37Å; R208-M516 PolarHBondContact NE-O 3.12Å; L212-M516 HydrophobicContact CD1-CG 3.72Å; L212-M516 HydrophobicContact CD1-SD 4.31Å; L212-M516 HydrophobicContact CD2-CG 4.16Å; Y221-M516 HydrophobicContact CD1-CB 4.39Å; Y221-M516 HydrophobicContact CD1-CE 3.69Å; Y221-M516 HydrophobicContact CD2-CE 4.1Å; Y221-M516 HydrophobicContact CE1-CB 3.66Å; Y221-M516 HydrophobicContact CE1-CE 4.08Å; Y221-M516 HydrophobicContact CE1-CG 4.31Å; Y221-M516 HydrophobicContact CG-CE 3.74Å; Y221-M516 WeakPolarHBondContact OH-CA 3.49Å; Y221-M516 PolarHBondContact OH-N 2.73Å; Y221-M516 VanDerWaalsContact OH-N 3.13Å
517	F	98.2	Very high	95.9	Very high	93 Å²	93	50.2 Å²	50.2	41%	0.408	27%	0.266	S	S	.	.	S	Bend	trans	-131.8	82.4	176	-62.8	-72.7	0	0	0	108.8	R208 L212 S515 R519 P526	R208-F517 HydrophobicContact CB-CD1 4.37Å; R208-F517 HydrophobicContact CB-CE1 4.2Å; R208-F517 HydrophobicContact CG-CD1 4.06Å; R208-F517 HydrophobicContact CG-CE1 4.02Å; L212-F517 HydrophobicContact CD1-CE1 4.49Å; L212-F517 HydrophobicContact CD1-CZ 4.21Å; S515-F517 VanDerWaalsContact C-N 3.33Å; S515-F517 PolarHBondContact O-N 3.27Å; F517-R519 PolarHBondContact O-NH1 3.43Å; F517-P526 HydrophobicContact CD1-CB 4.41Å; F517-P526 HydrophobicContact CD1-CG 4.18Å; F517-P526 HydrophobicContact CE1-CG 4.49Å
518	P	98	Very high	95.8	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.019	26%	0.263	C	S	.	.			trans	-59.9	145.1	-170.7	-19.8	29.6	0	0	0	112.3	L205 L308 R512 S515	L205-P518 HydrophobicContact CD1-CG 4.3Å; L205-P518 HydrophobicContact CD2-CG 3.78Å; L308-P518 HydrophobicContact CD2-CB 4Å; R512-P518 HydrophobicContact CB-CB 4.05Å; R512-P518 HydrophobicContact CB-CG 3.8Å; R512-P518 HydrophobicContact CG-CB 3.85Å; R512-P518 HydrophobicContact CG-CG 4.17Å; R512-P518 WeakPolarHBondContact O-CG 3.35Å; S515-P518 WeakPolarHBondContact O-CD 3.37Å; S515-P518 WeakPolarHBondContact O-CG 3.06Å; S515-P518 WeakPolarHBondContact OG-CA 3.38Å
519	R	97.8	Very high	95.8	Very high	41 Å²	41	53.6 Å²	53.6	16%	0.155	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-119.5	127.4	170.9	-63.2	-65.1	176.9	-100.7	6.6	109.2	L308 T309 E310 F517 R523 L524 P526	L308-R519 CarbonylContact C-O 3.59Å; L308-R519 WeakPolarHBondContact CA-O 3.27Å; L308-R519 WeakPolarHBondContact CB-O 3.35Å; T309-R519 PolarHBondContact N-O 3.06Å; T309-R519 WeakPolarHBondContact OG1-CB 3.19Å; T309-R519 PolarHBondContact OG1-O 3.03Å; E310-R519 HydrophobicContact CB-CB 3.95Å; E310-R519 HydrophobicContact CB-CG 4.2Å; F517-R519 PolarHBondContact O-NH1 3.43Å; R519-R523 WeakPolarHBondContact CA-O 3.34Å; R519-L524 PolarHBondContact NH2-O 3.29Å; R519-P526 VanDerWaalsContact CZ-O 3.29Å; R519-P526 PolarHBondContact NH1-O 2.66Å; R519-P526 VanDerWaalsContact NH2-C 3.3Å; R519-P526 PolarHBondContact NH2-O 2.97Å; R519-P526 PolarHBondContact NH2-OXT 3.1Å; R519-P526 VanDerWaalsContact NH2-OXT 3.11Å
520	D	96.5	Very high	95.9	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.064	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-144.9	176	175.3	70.7	41.5	0	0	0	109.2	T309 R512 K522 R523	T309-D520 WeakPolarHBondContact OG1-CA 3.38Å; T309-D520 PolarHBondContact OG1-N 2.75Å; R512-D520 IonicContact CZ-OD2 3.95Å; R512-D520 VanDerWaalsContact CZ-OD2 3.22Å; R512-D520 IonicContact NE-OD2 2.82Å; R512-D520 PolarHBondContact NE-OD2 3.37Å; R512-D520 IonicContact NH2-OD2 2.89Å; R512-D520 PolarHBondContact NH2-OD2 3.33Å; D520-K522 PolarHBondContact O-N 3.06Å; D520-K522 WeakPolarHBondContact OD1-CA 3.35Å; D520-K522 PolarHBondContact OD1-N 3Å; D520-R523 PolarHBondContact N-O 3.39Å; D520-R523 PolarHBondContact O-N 3.42Å; D520-R523 WeakPolarHBondContact OD1-CB 3.47Å; D520-R523 PolarHBondContact OD1-N 3.49Å
521	P	95.2	Very high	96	Very high	52 Å²	52	53.3 Å²	53.3	34%	0.338	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.8	-177.6	-26	36.3	0	0	0	114.9	D301 T309	D301-P521 VanDerWaalsContact OD1-CB 3.29Å; D301-P521 WeakPolarHBondContact OD1-CB 3.38Å; T309-P521 HydrophobicContact CG2-CG 3.98Å
522	K	95.4	Very high	95.8	Very high	170 Å²	170	56.3 Å²	56.3	74%	0.739	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-9.1	-178	-60.5	-175	-178.4	-179.8	0	113.5	D520	D520-K522 PolarHBondContact O-N 3.06Å; D520-K522 WeakPolarHBondContact OD1-CA 3.35Å; D520-K522 PolarHBondContact OD1-N 3Å
523	R	96.3	Very high	95.7	Very high	22 Å²	22	59.3 Å²	59.3	8%	0.083	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-126.6	111.1	-174.8	-174.1	172.3	-68.7	-75.7	0.9	111.8	D202 L205 D206 R519 D520 T525	D202-R523 IonicContact OD1-CZ 2.82Å; D202-R523 IonicContact OD1-NH2 2.81Å; D202-R523 PolarHBondContact OD1-NH2 3.4Å; L205-R523 VanDerWaalsContact CB-CZ 3.41Å; D206-R523 IonicContact OD1-CZ 2.62Å; D206-R523 IonicContact OD1-NH1 3.12Å; D206-R523 PolarHBondContact OD1-NH1 3.26Å; D206-R523 IonicContact OD1-NH2 3.42Å; D206-R523 PolarHBondContact OD1-NH2 3.01Å; D206-R523 VanDerWaalsContact OD1-NH2 3.12Å; R519-R523 WeakPolarHBondContact CA-O 3.34Å; D520-R523 PolarHBondContact N-O 3.39Å; D520-R523 PolarHBondContact O-N 3.42Å; D520-R523 WeakPolarHBondContact OD1-CB 3.47Å; D520-R523 PolarHBondContact OD1-N 3.49Å; R523-T525 WeakPolarHBondContact CG-O 3.46Å; R523-T525 PolarHBondContact NH1-O 3.28Å
524	L	96.3	Very high	95.6	Very high	141 Å²	141	62.1 Å²	62.1	74%	0.738	32%	0.32	S	S	*	.			trans	-119.3	-2.5	173.4	-163.6	65.1	0	0	0	112.8	R519	R519-L524 PolarHBondContact NH2-O 3.29Å
525	T	95.5	Very high	95.4	Very high	98 Å²	98	67.3 Å²	67.3	60%	0.601	35%	0.346	S	S	*	.			trans	-136.8	157.1	179.2	56.9	0	0	0	0	109.9	R523	R523-T525 WeakPolarHBondContact CG-O 3.46Å; R523-T525 PolarHBondContact NH1-O 3.28Å
526	P	79.6	Confident	95.2	Very high	82 Å²	82	72.5 Å²	72.5	53%	0.532	37%	0.372	S	S	.	.			cis	-62.5	0	-19.5	26.1	-32.3	0	0	0	113.4	L205 R208 F517 R519	L205-P526 VanDerWaalsContact O-CD 3.25Å; L205-P526 WeakPolarHBondContact O-CD 3.28Å; L205-P526 WeakPolarHBondContact O-CG 3.47Å; R208-P526 HydrophobicContact CB-CG 3.96Å; F517-P526 HydrophobicContact CD1-CB 4.41Å; F517-P526 HydrophobicContact CD1-CG 4.18Å; F517-P526 HydrophobicContact CE1-CG 4.49Å; R519-P526 VanDerWaalsContact CZ-O 3.29Å; R519-P526 PolarHBondContact NH1-O 2.66Å; R519-P526 VanDerWaalsContact NH2-C 3.3Å; R519-P526 PolarHBondContact NH2-O 2.97Å; R519-P526 PolarHBondContact NH2-OXT 3.1Å; R519-P526 VanDerWaalsContact NH2-OXT 3.11Å

Retrieved 526 of 526 residues in 147.1 ms (Link to these results)

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